A0A077Z8S2_TRITR Loading...

EF-hand 4 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8S2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 546 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.3Very low43.4Very low251 Ų251153.5 Ų153.5100%1.23688%0.879SS**  090.80-71.3171.7170.900107.8
2A48.6Very low43.2Very low107 Ų107157.8 Ų157.888%0.88488%0.88SS**  trans-132.9140.1175.800000107.1
3Q43.1Very low43.2Very low189 Ų189155.3 Ų155.388%0.88387%0.871SS**  trans-136.8126.7-153.8-178.7169.1-0.700111.1
4A45.3Very low43.5Very low83 Ų83152.1 Ų152.169%0.68686%0.864SS**  trans53.8135.2164.200000117.2
5M45.3Very low43.7Very low173 Ų173148.9 Ų148.985%0.85285%0.854SS**  -158.6133.558.6-76.6-70.6-162.900110
6S42.6Very low44Very low122 Ų122144.7 Ų144.785%0.85384%0.843SS**  trans-129.897168.2-1790000108.6
7V50.3Low44.3Very low135 Ų135143.8 Ų143.882%0.81883%0.833SS**  trans-166.6146.6171.2-81.10000106.6
8G39.1Very low44.5Very low76 Ų76139.5 Ų139.578%0.78482%0.817SS**  cis-166113.6-8.400000108.8H10G8-H10 PolarHBondContact O-N 3.06Å
9L41.1Very low44.9Very low173 Ų173137.6 Ų137.691%0.90681%0.808SS**  trans-95.882.5-178.8-17198.3000108.8
10H38.9Very low44.6Very low185 Ų185140.3 Ų140.386%0.85680%0.803SS**  trans-176.771.4168.7-120.1-111000113.8G8G8-H10 PolarHBondContact O-N 3.06Å
11Q39.3Very low44.8Very low194 Ų194137.1 Ų137.191%0.90779%0.789SS**  trans-16683.9164.5-117.4160.314.600114.1
12K41Very low44.8Very low205 Ų205130.4 Ų130.489%0.89176%0.758SS**SBendtrans-162.70.2159.5-118.8166-177.8-177.50117.6
13V43.6Very low44.6Very low126 Ų126131.1 Ų131.176%0.76475%0.747SS**SBendtrans-101-2.6-173.2-137.70000114.9
14S46.8Very low45.1Very low110 Ų110129.4 Ų129.477%0.76974%0.739SS**SBendtrans-98.6-0.3-168.7-51.80000115.9
15S46.4Very low45.2Very low104 Ų104131.9 Ų131.973%0.72774%0.736SS**SBendtrans-91.5-30.1-175.3-160.40000114.1I17S15-I17 PolarHBondContact O-N 2.84Å
16A48.2Very low45.3Very low82 Ų82131 Ų13168%0.67873%0.73SS**SBendtrans-79.4-16.5-174.500000114.5T19A16-T19 PolarHBondContact O-OG1 2.74Å
17I49.4Very low45.4Very low130 Ų130133.3 Ų133.367%0.66773%0.727SS**SBendtrans-87.7-22.9-175.1-60.6173.4000111.5S15S15-I17 PolarHBondContact O-N 2.84Å
18A48.4Very low44.9Very low66 Ų66132.3 Ų132.355%0.54572%0.721SS.*Hα-helixtrans-71-31-177.300000113.7L22A18-L22 PolarHBondContact O-N 2.81Å
19T51.4Low44.8Very low104 Ų104133.9 Ų133.964%0.63872%0.72SS**Hα-helixtrans-73.6-32.9-17645.20000113.3A16A16-T19 PolarHBondContact O-OG1 2.74Å
20W40Very low44.8Very low191 Ų191132 Ų13272%0.72372%0.721SS**Hα-helixtrans-80.2-30.4-179.1-13420.2000112.9
21S47.2Very low44.6Very low73 Ų73128.6 Ų128.651%0.5172%0.718SS.*Hα-helixtrans-71-35.5176-169.50000112.8L23S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 3.23Å
22L45.2Very low44.6Very low111 Ų111127 Ų12758%0.58172%0.715SS**Hα-helixtrans-70-28.7-179.4-168.462.7000113A18A18-L22 PolarHBondContact O-N 2.81Å
23L44.8Very low44.6Very low122 Ų122126.6 Ų126.664%0.63971%0.713SS**Hα-helixtrans-77.3-24.1-177.1-167.360.8000113.5S21S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 3.23Å
24Q53.2Low44.6Very low153 Ų153127.2 Ų127.272%0.71572%0.717SS**Hα-helixtrans-85-21.6175.8-73.4-165.11.200114.1Q26Q24-Q26 PolarHBondContact O-N 3.1Å
25Q48.2Very low44.7Very low134 Ų134127.9 Ų127.963%0.62672%0.719SS**Hα-helixtrans-78.2-16.6-177.4-73.1-172.20.600114.6H27Q25-H27 PolarHBondContact O-N 2.75Å
26Q46.2Very low44.2Very low156 Ų156131.4 Ų131.473%0.72972%0.724SS**THydrogen-bonded Turntrans-81.1-9-175.7-66.3-160.8-9.200115.2Q24Q24-Q26 PolarHBondContact O-N 3.1Å
27H43.8Very low44.1Very low170 Ų170132.9 Ų132.979%0.78773%0.729SS**THydrogen-bonded Turntrans-1035.1-178.3-76.9-77.9000115.2Q25Q25-H27 PolarHBondContact O-N 2.75Å
28T41.1Very low43.8Very low114 Ų114137.4 Ų137.470%0.69974%0.738SS**SBendtrans-134.664.3179.659.40000112.5
29S36.9Very low43.4Very low109 Ų109139 Ų13976%0.76275%0.751SS**  trans-152.582.1170-84.90000112.9
30S39.9Very low42.6Very low133 Ų133140 Ų14093%0.9376%0.761SS**  trans-153.489.2158.3-80.30000108.5
31S36.1Very low42.7Very low113 Ų113136.6 Ų136.679%0.7976%0.761SS**  trans-119.7159.4177-176.60000109.8
32L38Very low42.5Very low162 Ų162139.4 Ų139.485%0.84878%0.778SS**  trans91.8120.7-174.3-54.2161000112.5
33K42.7Very low42.4Very low196 Ų196142.7 Ų142.785%0.85279%0.79SS**  cis-166.813138.4-153.1160.5-175.21680110.8
34V42Very low42.4Very low138 Ų138141.9 Ų141.984%0.83679%0.792SS**  trans-131.1130.1168.7178.20000108.2
35P49.6Very low41.9Very low125 Ų125146.6 Ų146.681%0.81280%0.803SS**  trans-89.4144.5172.334-31000112.1
36E36.8Very low41.7Very low177 Ų177143.7 Ų143.783%0.82781%0.809SS**  trans-98.7138.6-175.9-179.3-167.5128.600111.9
37S45.8Very low41.5Very low114 Ų114142.7 Ų142.780%0.79781%0.813SS**  trans-156.288.9159.763.70000114.6
38R41.9Very low41.6Very low225 Ų225140.2 Ų140.285%0.84981%0.81SS**  trans27.9131.3144.2-85.6178.7161.7167.1-4.9123.5
39A39.8Very low42Very low100 Ų100141.1 Ų141.183%0.82682%0.815SS**  trans68.8151.9141.200000118.5
40C36Very low42.2Very low125 Ų125141.5 Ų141.585%0.84581%0.809SS**  cis-146.3162.57.7-160.20000111.4
41V41.7Very low42.6Very low119 Ų119144.6 Ų144.672%0.72180%0.8SS**  trans-103.7144.8-179.8-178.70000110.1
42P42.5Very low43.1Very low132 Ų132146 Ų14686%0.85780%0.799SS**  -139163.7116.2201.7000115.2
43Q43.5Very low43.4Very low179 Ų179143.6 Ų143.684%0.83680%0.796SS**  trans-96.6176.2-170.8-101.3-133.79.600114.5
44P45.1Very low43.7Very low105 Ų105139.2 Ų139.268%0.68279%0.787SS**  trans-103.2172.7-155.540.7-36.7000116
45R43.1Very low43.9Very low253 Ų253140.2 Ų140.296%0.95579%0.786SS**  trans-140.6140.4154.1-81.7-173.5169166.1-3.4109.4
46G42.3Very low43.7Very low72 Ų72139.5 Ų139.574%0.74278%0.781SS**  trans-113.1-167.4-179.900000113.2
47V43.3Very low43.9Very low135 Ų135137 Ų13782%0.81878%0.779SS**  trans169.9105.5152.6147.90000107.6
48V45Very low43.6Very low119 Ų119135.4 Ų135.472%0.72177%0.772SS**  78.4141.999.7-156.90000115.9
49T50Low43.2Very low132 Ų132130.7 Ų130.781%0.8177%0.772SS**  trans78.1143.1169.6660000118.4
50D41.7Very low43Very low117 Ų117131.6 Ų131.663%0.62677%0.772SS**  cis-164.7157.4-25-167-130.9000109.3
51R47.5Very low43Very low199 Ų199130.2 Ų130.275%0.75177%0.77SS**  trans75138.5154.3-99.8175.1-173.7107.1-5.8125.5
52D46.2Very low42.7Very low142 Ų142129.3 Ų129.376%0.75978%0.775SS**  trans83.6113.5148.7-58.8-38.7000123.2
53S45.7Very low42.6Very low112 Ų112130.1 Ų130.178%0.78378%0.778SS**  trans-84.8-166.3169-40.90000111.2
54P47.5Very low42.3Very low104 Ų104126.3 Ų126.368%0.67578%0.777SS**  cis-136.9165.3-12.626.8-2.5000116.8
55I47Very low41.9Very low159 Ų159125.7 Ų125.782%0.81578%0.781SS**  trans43.2144130.2-53.1168.1000120.4
56P45.3Very low41.6Very low109 Ų109118.1 Ų118.171%0.70877%0.772SS**  cis-134.7-163.2-31.140.4-20.5000112.4
57T40.7Very low41.4Very low126 Ų126121.1 Ų121.177%0.77378%0.776SS**  157.5127.2124.6-66.20000115.2
58A40.4Very low41.3Very low80 Ų80118.8 Ų118.866%0.66177%0.77SS**  trans55.8124150.100000124.8
59C32.1Very low40.9Very low125 Ų125117.7 Ų117.785%0.84577%0.767SS**  71.8121.9124-67.40000123.7
60S36Very low40.4Very low119 Ų119119.7 Ų119.783%0.83277%0.768SS**  71.8108.6128.3-171.60000120.3
61A36.2Very low40.3Very low97 Ų97118.2 Ų118.280%0.80277%0.766SS**  -169.3145.311800000110.9
62A35.4Very low39.9Very low100 Ų100118.6 Ų118.683%0.82677%0.773SS**  trans-93.4153172.700000111.2
63T39.9Very low39.8Very low149 Ų149117 Ų11791%0.91477%0.773SS**  trans-139.4139.6157.9-57.40000108.9
64A37.3Very low39.5Very low98 Ų98116.9 Ų116.981%0.8177%0.77SS**  trans-116.3156.9-169.700000113.4
65A36.6Very low39.1Very low93 Ų93118.1 Ų118.177%0.76978%0.775SS**  trans-155.1115.2152.900000106.2
66A38.9Very low38.8Very low94 Ų94115.5 Ų115.578%0.77777%0.771SS**  63.1127.381.900000111.3
67V37.8Very low38.5Very low134 Ų134115.6 Ų115.681%0.81277%0.774SS**  cis-153.9129.640.3171.80000108.9
68A39.9Very low38.4Very low86 Ų86114.5 Ų114.571%0.71177%0.772SS**  47.2142.7106.300000117
69C37.8Very low38.4Very low97 Ų97118.2 Ų118.266%0.65578%0.775SS**  cis-152141.832.1-790000111.7
70Q39.2Very low38.7Very low174 Ų174119.6 Ų119.681%0.81377%0.769SS**  62.1146.7101.9-55.8-176.382.800118.6
71S39.5Very low38.7Very low85 Ų85118.3 Ų118.359%0.59476%0.76SS**  cis179.9140.3-36.952.10000112.9
72K39.3Very low38.8Very low207 Ų207119.4 Ų119.490%0.976%0.762SS**  trans73.4141147.4-67166.5179.4-178.30122.6
73S42.8Very low38.9Very low108 Ų108119.1 Ų119.176%0.75575%0.754SS**  trans-98.1168.8159.456.80000110.6
74P41.2Very low38.9Very low111 Ų111119.6 Ų119.672%0.72175%0.75SS**  -162.4156.689.643.1-22.3000120.1
75V38.5Very low38.8Very low130 Ų130127 Ų12779%0.78876%0.757SS**  52.7121.513094.30000125.9
76S39.3Very low38.9Very low103 Ų103127.5 Ų127.572%0.7276%0.755SS**  trans80135.2134.1-84.50000126.9
77S39.5Very low39Very low112 Ų112128.8 Ų128.878%0.78376%0.755SS**  trans87.1145.1153.8-440000118.5
78S40Very low38.7Very low102 Ų102130.5 Ų130.571%0.71375%0.754SS**  cis-171.2163.3-21.2-90.10000109.6
79Q39.9Very low38.7Very low158 Ų158131.7 Ų131.774%0.73876%0.757SS**  trans83.4145.8155.2-39-163.7-76.700122.2
80H37.3Very low38.4Very low154 Ų154135.4 Ų135.471%0.71377%0.765SS**  trans71.8147.4159.7-39.3-60.3000118.7
81S37.6Very low38.3Very low93 Ų93132.5 Ų132.565%0.6576%0.764SS**  cis-173.5134.9-22.7-94.40000109
82S37.6Very low37.9Very low120 Ų120137.1 Ų137.184%0.83977%0.774SS**  trans62.1165.9163.4780000116.5
83S36.6Very low37.9Very low94 Ų94139.3 Ų139.366%0.65778%0.776SS**  cis-158138.32.4-140.70000111.7
84L41.5Very low37.7Very low158 Ų158139.1 Ų139.183%0.82777%0.771SS**  trans42.7110.2142.2-55.7171.4000121.4
85R35.1Very low37.3Very low253 Ų253139.1 Ų139.196%0.95577%0.774SS**  -174130.3111.6-115.4179.1170.2-169.4-4.5114.6
86S36.9Very low37.1Very low104 Ų104141.9 Ų141.973%0.72778%0.775SS**  trans-97165.2156.7-51.20000109.8
87P41.3Very low36.9Very low121 Ų121143.2 Ų143.279%0.78677%0.774SS**  -138.3142.186.223.4-2.1000113.5
88Q33Very low37Very low170 Ų170145.7 Ų145.779%0.79477%0.774SS**  61.5103.580.7-81.7-164.2-79.900117.5
89S39.8Very low36.9Very low111 Ų111146.8 Ų146.878%0.77678%0.781SS**  trans18093.1138.2570000108.4
90E31.4Very low37.1Very low175 Ų175147.7 Ų147.782%0.81879%0.785SS**  63.1101.489.1-65.5-161.5148.100115.7
91S36.2Very low37.6Very low113 Ų113149.3 Ų149.379%0.7979%0.793SS**  trans-173.773.3161.8-77.30000108.8
92K31.3Very low37.4Very low183 Ų183154.5 Ų154.580%0.79681%0.807SS**  44.482.193-163.5173.3-175.5174.70114.6
93W39.5Very low37.2Very low253 Ų253152 Ų15296%0.95880%0.801SS**  trans-122.6131.1145.8-82.390.8000108.8
94T38.3Very low37Very low104 Ų104152.8 Ų152.864%0.63881%0.806SS**  trans-119.8136.7-17345.50000110.4
95S32.8Very low36.6Very low111 Ų111150.8 Ų150.878%0.77681%0.805SS**  trans62.996.4141.9-160.70000119.4
96F33.3Very low36.7Very low188 Ų188146.1 Ų146.183%0.82580%0.797SS**  trans-157.3100.5134-142.4-95000104.4
97D36.9Very low36.6Very low130 Ų130149 Ų14970%0.69580%0.799SS**  60.881.676-147.5-92.4000112.3
98E40.8Very low36.3Very low165 Ų165151.7 Ų151.777%0.77180%0.801SS**  trans-163.7130.8134.7-108.8172121.400107.7
99S37.5Very low36.3Very low125 Ų125150.8 Ų150.887%0.87480%0.801SS**  trans-100.394.9-179.7-63.70000108.5
100E43.6Very low36Very low176 Ų176149.3 Ų149.382%0.82279%0.791SS**  trans-85.7117.4172.3-60.4-166.414100109
101E47.6Very low36.1Very low188 Ų188145 Ų14588%0.87978%0.777SS**  trans-70.3139.9177.7-64.5-163.1140.400111G103E101-G103 PolarHBondContact O-N 2.92Å
102E33.8Very low36.2Very low203 Ų203143.4 Ų143.495%0.94977%0.766SS**  trans-71.471.3174.6-71.4-111.6135.500111.2S104E102-S104 PolarHBondContact O-N 3.46Å
103G33.1Very low36.8Very low68 Ų68142.8 Ų142.870%0.70177%0.765SS**  trans-72.1107.2169.100000110.8E101 S105E101-G103 PolarHBondContact O-N 2.92Å; G103-S105 PolarHBondContact O-N 2.91Å
104S33.3Very low37Very low109 Ų109135.8 Ų135.876%0.76274%0.744SS**  trans-64.583.7-172.6173.80000115.2E102 I106E102-S104 PolarHBondContact O-N 3.46Å; S104-I106 PolarHBondContact O-N 3.47Å; S104-I106 VanDerWaalsContact O-N 3.13Å
105S32.4Very low37.2Very low117 Ų117138.9 Ų138.982%0.81875%0.751SS**SBendtrans41.552.6137.6-57.10000120G103G103-S105 PolarHBondContact O-N 2.91Å
106I38.3Very low37.9Very low154 Ų154139.7 Ų139.779%0.7975%0.751SS**  trans-13858.3163.5-46.8-179.4000111.2S104S104-I106 PolarHBondContact O-N 3.47Å; S104-I106 VanDerWaalsContact O-N 3.13Å
107E35.1Very low38.8Very low165 Ų165131.4 Ų131.477%0.77172%0.715SS**  trans-135.713.8-174.7-82.5-77.5107.900114.1
108Q34.8Very low39.5Very low177 Ų177127.2 Ų127.283%0.82769%0.692SS**  trans-131.940.2-169.5-66.2-157.6-32.900116.7
109L32.4Very low39.9Very low151 Ų151125.1 Ų125.179%0.79169%0.693SS**  trans-126.767.4167.8-65.4-178.4000111P297L109-P297 HydrophobicContact CD2-CB 4.09Å; L109-P297 HydrophobicContact CD2-CG 3.19Å
110S33.9Very low40.4Very low81 Ų81122.9 Ų122.957%0.56668%0.682SS**  trans-92.1114.2-170.6-166.30000114.5S112S110-S112 PolarHBondContact O-N 3.29Å
111T32.6Very low40.6Very low85 Ų85119 Ų11952%0.52168%0.68SS.*  55.253.6126.6-29.70000118.7T287T111-T287 HydrophobicContact CG2-CG2 4.27Å
112S39.4Very low40.6Very low78 Ų78116.7 Ų116.755%0.54567%0.674SS.*SBendtrans-118.2-14.9167.5-64.60000115.6S110S110-S112 PolarHBondContact O-N 3.29Å
113E43.3Very low41.4Very low170 Ų170115.3 Ų115.379%0.79467%0.673SS**SBendtrans-111.3-16.4-169.9-70.1177.691.900115.2Q115E113-Q115 VanDerWaalsContact C-N 3.34Å; E113-Q115 PolarHBondContact O-N 3.31Å
114Q43.2Very low41.9Very low107 Ų107120 Ų12050%0.568%0.677SS.*G310 helixtrans-82.92.9-177-89147.416.100116.2L117Q114-L117 HydrophobicContact CB-CD1 4.22Å; Q114-L117 HydrophobicContact CG-CD1 3.51Å; Q114-L117 WeakPolarHBondContact O-CB 3.32Å
115Q43.4Very low42.2Very low169 Ų169120.1 Ų120.179%0.7968%0.684SS**G310 helixtrans-77.7-17.1173.3-70.4-171.824.300113.9E113 L117E113-Q115 VanDerWaalsContact C-N 3.34Å; E113-Q115 PolarHBondContact O-N 3.31Å; Q115-L117 PolarHBondContact O-N 2.83Å
116V46.5Very low43Very low128 Ų128119.5 Ų119.578%0.77668%0.68SS**G310 helixtrans-79.7-6.4-177.5-177.70000112.6
117L53.2Low43.3Very low13 Ų13121.9 Ų121.97%0.06869%0.688CS.*SBendtrans-95.8-29-139.6-123.5159.9000116.3Q114 Q115 T139 P141 L142Q114-L117 HydrophobicContact CB-CD1 4.22Å; Q114-L117 HydrophobicContact CG-CD1 3.51Å; Q114-L117 WeakPolarHBondContact O-CB 3.32Å; Q115-L117 PolarHBondContact O-N 2.83Å; L117-T139 WeakPolarHBondContact CD2-OG1 3.31Å; L117-T139 PolarHBondContact O-OG1 2.88Å; L117-P141 HydrophobicContact CD1-CB 3.75Å; L117-P141 HydrophobicContact CD2-CB 3.96Å; L117-P141 HydrophobicContact CG-CB 3.8Å; L117-L142 HydrophobicContact CD2-CB 3.29Å; L117-L142 HydrophobicContact CD2-CD1 3.6Å; L117-L142 HydrophobicContact CD2-CG 3.95Å
118L52.4Low43.6Very low42 Ų42117.3 Ų117.322%0.2269%0.685CS.*SBendtrans-137.8122.3164.4-70.7172.5000106.7A120 L142 V216 K220L118-A120 PolarHBondContact O-N 2.77Å; L118-L142 HydrophobicContact CD2-CD2 4.09Å; L118-L142 HydrophobicContact CG-CD2 4.44Å; L118-V216 HydrophobicContact CD1-CG1 3.95Å; L118-K220 HydrophobicContact CD1-CD 4.47Å
119P48.5Very low44Very low121 Ų121116.6 Ų116.679%0.78669%0.687SS**  trans-57.4137.2176.124.5-32.6000109.2A121P119-A121 PolarHBondContact O-N 3.27Å
120A47Very low44.9Very low79 Ų79117.2 Ų117.265%0.65369%0.685SS**  trans-63136.2168.400000108.1L118 D122L118-A120 PolarHBondContact O-N 2.77Å; A120-D122 PolarHBondContact O-N 3.49Å
121A49.1Very low45.5Very low94 Ų94118.1 Ų118.178%0.77768%0.684SS**  trans-71.998169.900000107.5P119P119-A121 PolarHBondContact O-N 3.27Å
122D47.3Very low46.5Very low140 Ų140118.9 Ų118.975%0.74969%0.685SS**  trans-63.2134.4171.9-73.9-38.7000109.5A120 Q124A120-D122 PolarHBondContact O-N 3.49Å; D122-Q124 VanDerWaalsContact C-N 3.32Å; D122-Q124 PolarHBondContact O-N 3.5Å
123D49.8Very low47.2Very low173 Ų173119.4 Ų119.493%0.92568%0.681SS**  trans-62.484.4177.5-77.3-74.4000112.1
124Q43.9Very low48Very low167 Ų167118.5 Ų118.578%0.7868%0.677SS**  trans-116.190.5166.3-76.2-79.41.700108.7D122 S126D122-Q124 VanDerWaalsContact C-N 3.32Å; D122-Q124 PolarHBondContact O-N 3.5Å; Q124-S126 PolarHBondContact O-N 3.45Å
125A40.8Very low49.2Very low111 Ų111115.9 Ų115.992%0.91767%0.67SS**  trans-66.195.5169.800000109.8
126S48.4Very low51Low105 Ų105108.7 Ų108.773%0.73464%0.637SS**  trans-134.3115171.5-172.70000109.4Q124 G128Q124-S126 PolarHBondContact O-N 3.45Å; S126-G128 PolarHBondContact O-N 3.46Å
127E44.2Very low52.7Low204 Ų204106.8 Ų106.895%0.95363%0.625SS**  trans-78112.1-177.1-49.9-153.115900110.2
128G41.6Very low54.3Low69 Ų69108.6 Ų108.671%0.71163%0.634SS**  trans169.7110.6177.300000115.1S126S126-G128 PolarHBondContact O-N 3.46Å
129D44.2Very low56Low162 Ų162108.9 Ų108.987%0.86664%0.638SS**  trans65.6114.5166.3-147.58.3000117.5N131D129-N131 VanDerWaalsContact C-N 3.31Å; D129-N131 PolarHBondContact O-N 3.13Å
130E49.5Very low57.9Low163 Ų163108.1 Ų108.176%0.76263%0.63SS**  trans-79.572.9-176.7-65.6-168-175.500111.8L132E130-L132 HydrophobicContact CB-CG 4.39Å; E130-L132 PolarHBondContact O-N 2.78Å
131N47.9Very low59.9Low100 Ų100107 Ų10754%0.53562%0.617SS.*  trans-73.271.7169.8-168.52.5000111.1D129 D133D129-N131 VanDerWaalsContact C-N 3.31Å; D129-N131 PolarHBondContact O-N 3.13Å; N131-D133 PolarHBondContact O-N 2.87Å; N131-D133 VanDerWaalsContact O-N 3.17Å; N131-D133 PolarHBondContact OD1-N 2.93Å
132L53.9Low61.9Low102 Ų102102.9 Ų102.953%0.53458%0.582SS.*  trans-62-18.1178.3-72.1165.6000113.1E130 F136E130-L132 HydrophobicContact CB-CG 4.39Å; E130-L132 PolarHBondContact O-N 2.78Å; L132-F136 WeakPolarHBondContact O-CD2 3.48Å; L132-F136 WeakPolarHBondContact O-CE2 3.35Å
133D54.4Low64Low89 Ų89100 Ų10048%0.47656%0.562SS.*SBendtrans-76.9-41.9-165.5-155.331.1000113.4N131 S135 F136 S232N131-D133 PolarHBondContact O-N 2.87Å; N131-D133 VanDerWaalsContact O-N 3.17Å; N131-D133 PolarHBondContact OD1-N 2.93Å; D133-S135 PolarHBondContact O-N 3.46Å; D133-F136 PolarHBondContact O-N 2.71Å; D133-F136 VanDerWaalsContact O-N 3.09Å; D133-S232 WeakPolarHBondContact OD1-CB 3.29Å; D133-S232 PolarHBondContact OD1-OG 3.17Å
134E58.3Low65.9Low150 Ų15097.3 Ų97.370%0.70155%0.545SS*.G310 helixtrans-63-28.5-179.1-68.5-163155.100113.1F136 V137E134-F136 PolarHBondContact O-N 3.45Å; E134-V137 WeakPolarHBondContact O-CG2 3.39Å; E134-V137 PolarHBondContact O-N 3.18Å
135S69.9Low68.2Low52 Ų5291.6 Ų91.636%0.36452%0.516SS..G310 helixtrans-74.8-5.4179.8-166.30000113.6D133 H213 R217D133-S135 PolarHBondContact O-N 3.46Å; S135-H213 PolarHBondContact O-NE2 2.8Å; S135-R217 VanDerWaalsContact CB-NH1 3.3Å; S135-R217 PolarHBondContact O-NH1 3.3Å; S135-R217 PolarHBondContact OG-NE 2.86Å; S135-R217 PolarHBondContact OG-NH1 3.06Å; S135-R217 PolarHBondContact OG-NH2 2.68Å
136F79.3Confident70.7Confident19 Ų1986.3 Ų86.38%0.08347%0.473CS..G310 helixtrans-1033.1176.7-71.7-65.9000114.1L132 D133 E134 I138 H213 L214 R217 P226 P230 M233L132-F136 WeakPolarHBondContact O-CD2 3.48Å; L132-F136 WeakPolarHBondContact O-CE2 3.35Å; D133-F136 PolarHBondContact O-N 2.71Å; D133-F136 VanDerWaalsContact O-N 3.09Å; E134-F136 PolarHBondContact O-N 3.45Å; F136-I138 PolarHBondContact O-N 3.48Å; F136-H213 WeakPolarHBondContact CA-NE2 3.31Å; F136-H213 PolarHBondContact O-NE2 2.86Å; F136-L214 HydrophobicContact CE1-CD2 4.3Å; F136-R217 VanDerWaalsContact CE2-NH1 3.29Å; F136-R217 VanDerWaalsContact CG-NH1 3.28Å; F136-P226 HydrophobicContact CE1-CG 4.43Å; F136-P226 HydrophobicContact CZ-CG 4.34Å; F136-P230 HydrophobicContact CD1-CG 3.95Å; F136-P230 HydrophobicContact CD2-CB 3.96Å; F136-P230 HydrophobicContact CD2-CG 3.52Å; F136-P230 HydrophobicContact CE1-CG 3.78Å; F136-P230 HydrophobicContact CE2-CB 4.2Å; F136-P230 HydrophobicContact CE2-CG 3.38Å; F136-P230 HydrophobicContact CG-CB 4.3Å; F136-P230 HydrophobicContact CG-CG 3.82Å; F136-P230 HydrophobicContact CZ-CG 3.5Å; F136-P230 VanDerWaalsContact CZ-CG 3.5Å; F136-M233 HydrophobicContact CB-CG 3.68Å; F136-M233 HydrophobicContact CB-SD 4.1Å; F136-M233 HydrophobicContact CD1-CG 3.98Å; F136-M233 HydrophobicContact CD1-SD 3.28Å; F136-M233 WeakPolarHBondContact CD1-SD 3.46Å; F136-M233 HydrophobicContact CE1-SD 3.98Å; F136-M233 HydrophobicContact CG-CG 4.08Å; F136-M233 HydrophobicContact CG-SD 4Å
137V83.5Confident72.8Confident87 Ų8782.3 Ų82.353%0.52744%0.444SS..  trans-72.1117.5176.8179.90000110.9E134 T139 H213E134-V137 WeakPolarHBondContact O-CG2 3.39Å; E134-V137 PolarHBondContact O-N 3.18Å; V137-T139 PolarHBondContact O-N 3.47Å; V137-H213 PolarHBondContact O-CE1 3.33Å
138I86.1Confident75.1Confident51 Ų5176.1 Ų76.126%0.26242%0.42SS..  trans-78.8109169.8-55.4-178.9000108F136 L142 F143 Y146 C209 H213 M233F136-I138 PolarHBondContact O-N 3.48Å; I138-L142 HydrophobicContact CG2-CB 4.08Å; I138-L142 HydrophobicContact CG2-CD2 4.32Å; I138-L142 HydrophobicContact CG2-CG 4.33Å; I138-F143 HydrophobicContact CG2-CB 4.05Å; I138-Y146 HydrophobicContact CG2-CD2 4.27Å; I138-Y146 HydrophobicContact CG2-CE2 4.15Å; I138-C209 HydrophobicContact CD1-CB 4.12Å; I138-H213 HydrophobicContact CD1-CB 4.16Å; I138-H213 HydrophobicContact CG1-CB 4.23Å; I138-M233 HydrophobicContact CD1-CE 4.39Å
139T88.2Confident77.6Confident48 Ų4873.1 Ų73.129%0.29439%0.388SS..  trans-70.9154.8178.361.10000111.1L117 V137 L142 F143L117-T139 WeakPolarHBondContact CD2-OG1 3.31Å; L117-T139 PolarHBondContact O-OG1 2.88Å; V137-T139 PolarHBondContact O-N 3.47Å; T139-L142 WeakPolarHBondContact O-CA 3.22Å; T139-L142 VanDerWaalsContact O-CB 3.22Å; T139-L142 WeakPolarHBondContact O-CB 3.39Å; T139-L142 PolarHBondContact O-N 3.37Å; T139-L142 WeakPolarHBondContact OG1-CB 3.42Å; T139-F143 PolarHBondContact O-N 3.37Å
140V88.1Confident79.9Confident105 Ų10565.4 Ų65.464%0.63635%0.347SS*.Hα-helixtrans-53.3-46.6-176.8178.50000113.1L142 F143 E144V140-L142 PolarHBondContact O-N 2.92Å; V140-F143 WeakPolarHBondContact O-CB 3.39Å; V140-F143 PolarHBondContact O-N 3.43Å; V140-E144 PolarHBondContact O-N 3.07Å
141P89.9Confident81.9Confident56 Ų5659.7 Ų59.736%0.36432%0.321SS..Hα-helixtrans-70.2-18.6179.4-1531.2000112.8L117 Y145L117-P141 HydrophobicContact CD1-CB 3.75Å; L117-P141 HydrophobicContact CD2-CB 3.96Å; L117-P141 HydrophobicContact CG-CB 3.8Å; P141-Y145 PolarHBondContact O-N 3.39Å
142L90Very high83.9Confident8 Ų858.5 Ų58.54%0.04231%0.312CS..Hα-helixtrans-77.7-42.1177.3-16158.7000109.7L117 L118 I138 T139 V140 E144 Y145 Y146 H213L117-L142 HydrophobicContact CD2-CB 3.29Å; L117-L142 HydrophobicContact CD2-CD1 3.6Å; L117-L142 HydrophobicContact CD2-CG 3.95Å; L118-L142 HydrophobicContact CD2-CD2 4.09Å; L118-L142 HydrophobicContact CG-CD2 4.44Å; I138-L142 HydrophobicContact CG2-CB 4.08Å; I138-L142 HydrophobicContact CG2-CD2 4.32Å; I138-L142 HydrophobicContact CG2-CG 4.33Å; T139-L142 WeakPolarHBondContact O-CA 3.22Å; T139-L142 VanDerWaalsContact O-CB 3.22Å; T139-L142 WeakPolarHBondContact O-CB 3.39Å; T139-L142 PolarHBondContact O-N 3.37Å; T139-L142 WeakPolarHBondContact OG1-CB 3.42Å; V140-L142 PolarHBondContact O-N 2.92Å; L142-E144 VanDerWaalsContact C-N 3.33Å; L142-Y145 PolarHBondContact O-N 3.15Å; L142-Y146 HydrophobicContact CD1-CE1 3.69Å; L142-Y146 HydrophobicContact CD1-CE2 4.37Å; L142-Y146 WeakPolarHBondContact CD1-OH 3.43Å; L142-Y146 HydrophobicContact CD2-CE2 4.08Å; L142-Y146 WeakPolarHBondContact CD2-OH 3.42Å; L142-Y146 HydrophobicContact CG-CD2 4.37Å; L142-Y146 HydrophobicContact CG-CE1 3.88Å; L142-Y146 HydrophobicContact CG-CE2 3.65Å; L142-Y146 WeakPolarHBondContact CG-OH 3.36Å; L142-Y146 WeakPolarHBondContact O-CB 3.19Å; L142-Y146 WeakPolarHBondContact O-CD1 3.39Å; L142-Y146 PolarHBondContact O-N 2.98Å; L142-H213 WeakPolarHBondContact CD2-CE1 3.47Å; L142-H213 WeakPolarHBondContact CD2-ND1 3.43Å
143F91.2Very high85.6Confident78 Ų7853.7 Ų53.734%0.34229%0.287SS..Hα-helixtrans-59.9-41.7170.3-174.2-93.4000111.7I138 T139 V140 Y146 T147 L205I138-F143 HydrophobicContact CG2-CB 4.05Å; T139-F143 PolarHBondContact O-N 3.37Å; V140-F143 WeakPolarHBondContact O-CB 3.39Å; V140-F143 PolarHBondContact O-N 3.43Å; F143-Y146 PolarHBondContact O-N 2.9Å; F143-T147 VanDerWaalsContact O-CB 3.25Å; F143-T147 WeakPolarHBondContact O-CB 3.32Å; F143-T147 PolarHBondContact O-N 3.27Å; F143-T147 PolarHBondContact O-OG1 2.99Å; F143-L205 HydrophobicContact CZ-CD2 3.97Å; F143-L205 HydrophobicContact CZ-CG 4.4Å
144E91.1Very high87.3Confident118 Ų11849.5 Ų49.555%0.55127%0.265SS*.Hα-helixtrans-64.3-42.1174.8-71.6178.9177.700112.8V140 L142 T147 T148V140-E144 PolarHBondContact O-N 3.07Å; L142-E144 VanDerWaalsContact C-N 3.33Å; E144-T147 PolarHBondContact O-N 3.45Å; E144-T148 PolarHBondContact O-N 3.43Å; E144-T148 PolarHBondContact O-OG1 2.69Å
145Y91.8Very high88.7Confident47 Ų4748.2 Ų48.218%0.18426%0.259CS..Hα-helixtrans-61.3-48.3172.9173.9-115.2000111.8P141 L142 T147 T148 C149P141-Y145 PolarHBondContact O-N 3.39Å; L142-Y145 PolarHBondContact O-N 3.15Å; Y145-T147 VanDerWaalsContact C-N 3.34Å; Y145-T147 PolarHBondContact O-N 2.93Å; Y145-T148 WeakPolarHBondContact O-CB 3.34Å; Y145-T148 PolarHBondContact O-N 3.29Å; Y145-T148 VanDerWaalsContact O-N 3.11Å; Y145-C149 PolarHBondContact O-N 3.36Å; Y145-C149 PolarHBondContact O-SG 2.85Å
146Y94Very high89.5Confident0 Ų052.5 Ų52.50%027%0.271CS..Hα-helixtrans-63.7-38.2177.9-62.1-12.6000112.2I138 L142 F143 T148 C149 F150 F208 C209 M212 H213 V216I138-Y146 HydrophobicContact CG2-CD2 4.27Å; I138-Y146 HydrophobicContact CG2-CE2 4.15Å; L142-Y146 HydrophobicContact CD1-CE1 3.69Å; L142-Y146 HydrophobicContact CD1-CE2 4.37Å; L142-Y146 WeakPolarHBondContact CD1-OH 3.43Å; L142-Y146 HydrophobicContact CD2-CE2 4.08Å; L142-Y146 WeakPolarHBondContact CD2-OH 3.42Å; L142-Y146 HydrophobicContact CG-CD2 4.37Å; L142-Y146 HydrophobicContact CG-CE1 3.88Å; L142-Y146 HydrophobicContact CG-CE2 3.65Å; L142-Y146 WeakPolarHBondContact CG-OH 3.36Å; L142-Y146 WeakPolarHBondContact O-CB 3.19Å; L142-Y146 WeakPolarHBondContact O-CD1 3.39Å; L142-Y146 PolarHBondContact O-N 2.98Å; F143-Y146 PolarHBondContact O-N 2.9Å; Y146-T148 VanDerWaalsContact C-N 3.3Å; Y146-T148 PolarHBondContact O-N 3.31Å; Y146-C149 WeakPolarHBondContact O-CB 3.48Å; Y146-C149 PolarHBondContact O-N 2.99Å; Y146-F150 WeakPolarHBondContact O-CB 3.1Å; Y146-F150 PolarHBondContact O-N 2.8Å; Y146-F208 WeakPolarHBondContact O-CE1 3.4Å; Y146-C209 VanDerWaalsContact CB-SG 3.56Å; Y146-C209 HydrophobicContact CD2-CB 4Å; Y146-M212 HydrophobicContact CD1-CB 3.9Å; Y146-M212 HydrophobicContact CD1-CG 3.27Å; Y146-M212 HydrophobicContact CD2-CB 4.21Å; Y146-M212 HydrophobicContact CD2-CG 4.44Å; Y146-M212 HydrophobicContact CE1-CB 3.99Å; Y146-M212 HydrophobicContact CE1-CG 3.25Å; Y146-M212 HydrophobicContact CE2-CB 4.28Å; Y146-M212 HydrophobicContact CE2-CG 4.41Å; Y146-M212 HydrophobicContact CG-CB 4.02Å; Y146-M212 HydrophobicContact CG-CG 3.91Å; Y146-H213 HydrophobicContact CE2-CB 3.85Å; Y146-H213 VanDerWaalsContact OH-CA 3.31Å; Y146-H213 WeakPolarHBondContact OH-CA 3.33Å; Y146-H213 PolarHBondContact OH-ND1 3.13Å; Y146-V216 HydrophobicContact CE1-CG2 4.08Å
147T92.4Very high89.8Confident21 Ų2152.9 Ų52.913%0.12928%0.275CS..Hα-helixtrans-61.3-39173.1-60.40000111.5F143 E144 Y145 F150 N151 L163 L205F143-T147 VanDerWaalsContact O-CB 3.25Å; F143-T147 WeakPolarHBondContact O-CB 3.32Å; F143-T147 PolarHBondContact O-N 3.27Å; F143-T147 PolarHBondContact O-OG1 2.99Å; E144-T147 PolarHBondContact O-N 3.45Å; Y145-T147 VanDerWaalsContact C-N 3.34Å; Y145-T147 PolarHBondContact O-N 2.93Å; T147-F150 PolarHBondContact O-N 2.98Å; T147-N151 PolarHBondContact O-N 3.05Å; T147-N151 PolarHBondContact O-ND2 3.29Å; T147-L163 HydrophobicContact CG2-CD1 4.13Å; T147-L163 HydrophobicContact CG2-CD2 3.65Å; T147-L205 HydrophobicContact CG2-CD1 4.4Å
148T92.7Very high89.8Confident74 Ų7452.9 Ų52.945%0.45427%0.269SS..Hα-helixtrans-66.2-46.7175.3-56.50000111.2E144 Y145 Y146 F150 N151 Q152E144-T148 PolarHBondContact O-N 3.43Å; E144-T148 PolarHBondContact O-OG1 2.69Å; Y145-T148 WeakPolarHBondContact O-CB 3.34Å; Y145-T148 PolarHBondContact O-N 3.29Å; Y145-T148 VanDerWaalsContact O-N 3.11Å; Y146-T148 VanDerWaalsContact C-N 3.3Å; Y146-T148 PolarHBondContact O-N 3.31Å; T148-F150 VanDerWaalsContact C-N 3.33Å; T148-F150 PolarHBondContact O-N 3.46Å; T148-N151 PolarHBondContact O-N 3.36Å; T148-Q152 WeakPolarHBondContact O-CG 3.44Å; T148-Q152 PolarHBondContact O-N 3.19Å; T148-Q152 VanDerWaalsContact O-N 3.11Å
149C92.2Very high89.6Confident6 Ų653.7 Ų53.74%0.04129%0.29CS..Hα-helixtrans-58.2-42.3173.4-730000112.7Y145 Y146 Q152 L153 F177 F208Y145-C149 PolarHBondContact O-N 3.36Å; Y145-C149 PolarHBondContact O-SG 2.85Å; Y146-C149 WeakPolarHBondContact O-CB 3.48Å; Y146-C149 PolarHBondContact O-N 2.99Å; C149-Q152 PolarHBondContact O-N 3.19Å; C149-L153 WeakPolarHBondContact O-CB 3.44Å; C149-L153 PolarHBondContact O-N 3.28Å; C149-F177 HydrophobicContact CB-CZ 4Å; C149-F208 HydrophobicContact CB-CE1 4Å; C149-F208 HydrophobicContact CB-CZ 4.12Å
150F92.9Very high89.2Confident0 Ų057.1 Ų57.10%030%0.301CS..Hα-helixtrans-63.5-44.9178.3-172.9-111000111.9Y146 T147 T148 L153 L154 L163 S165 V167 L205 F208Y146-F150 WeakPolarHBondContact O-CB 3.1Å; Y146-F150 PolarHBondContact O-N 2.8Å; T147-F150 PolarHBondContact O-N 2.98Å; T148-F150 VanDerWaalsContact C-N 3.33Å; T148-F150 PolarHBondContact O-N 3.46Å; F150-L153 PolarHBondContact O-N 3.49Å; F150-L154 HydrophobicContact CD1-CD1 3.74Å; F150-L154 HydrophobicContact CD1-CG 4.4Å; F150-L154 HydrophobicContact CE1-CD1 3.44Å; F150-L154 VanDerWaalsContact CE1-CD1 3.44Å; F150-L154 HydrophobicContact CE1-CG 4.23Å; F150-L154 HydrophobicContact CZ-CD1 4Å; F150-L154 HydrophobicContact CZ-CG 4.41Å; F150-L154 WeakPolarHBondContact O-CG 3.44Å; F150-L154 PolarHBondContact O-N 2.87Å; F150-L163 HydrophobicContact CD1-CD2 4.03Å; F150-S165 WeakPolarHBondContact CZ-O 3.36Å; F150-V167 HydrophobicContact CD2-CG2 3.84Å; F150-V167 HydrophobicContact CE2-CB 4.24Å; F150-V167 HydrophobicContact CE2-CG2 3.42Å; F150-V167 VanDerWaalsContact CE2-CG2 3.42Å; F150-V167 HydrophobicContact CZ-CG2 4.12Å; F150-L205 HydrophobicContact CB-CD1 3.91Å; F150-L205 HydrophobicContact CD1-CB 4.18Å; F150-L205 HydrophobicContact CD1-CD1 3.62Å; F150-L205 HydrophobicContact CD1-CG 4.46Å; F150-L205 HydrophobicContact CE1-CB 3.86Å; F150-L205 HydrophobicContact CE1-CD1 4.2Å; F150-L205 HydrophobicContact CG-CD1 3.81Å; F150-L205 HydrophobicContact CZ-CB 4.18Å; F150-F208 HydrophobicContact CB-CD1 3.72Å; F150-F208 HydrophobicContact CB-CE1 3.79Å; F150-F208 HydrophobicContact CB-CG 4.4Å; F150-F208 HydrophobicContact CD2-CB 3.57Å; F150-F208 AromaticContact CD2-CD1 3.65Å; F150-F208 HydrophobicContact CD2-CD1 3.65Å; F150-F208 AromaticContact CD2-CD2 3.93Å; F150-F208 HydrophobicContact CD2-CD2 3.93Å; F150-F208 HydrophobicContact CD2-CE1 4.28Å; F150-F208 AromaticContact CD2-CG 3.43Å; F150-F208 HydrophobicContact CD2-CG 3.43Å; F150-F208 VanDerWaalsContact CD2-CG 3.43Å; F150-F208 HydrophobicContact CE2-CB 3.77Å; F150-F208 HydrophobicContact CE2-CG 4.1Å; F150-F208 HydrophobicContact CG-CD1 4.11Å; F150-F208 HydrophobicContact CG-CG 4.33Å
151N91.6Very high88.8Confident43 Ų4354.8 Ų54.823%0.2329%0.292CS..Hα-helixtrans-59.9-46.4175.2-80.1-41.8000112.3T147 T148 L153 L154 E155 A161 L163T147-N151 PolarHBondContact O-N 3.05Å; T147-N151 PolarHBondContact O-ND2 3.29Å; T148-N151 PolarHBondContact O-N 3.36Å; N151-L153 VanDerWaalsContact C-N 3.27Å; N151-L153 PolarHBondContact O-N 2.89Å; N151-L154 PolarHBondContact O-N 2.95Å; N151-E155 WeakPolarHBondContact O-CB 3.22Å; N151-E155 PolarHBondContact O-N 3.42Å; N151-A161 HydrophobicContact CB-CB 4.26Å; N151-L163 WeakPolarHBondContact OD1-CD2 3.37Å
152Q89.8Confident88.5Confident74 Ų7454.4 Ų54.435%0.34629%0.288SS..Hα-helixtrans-62.2-35.1176.5-68.7178.718.700112.3T148 C149 K156T148-Q152 WeakPolarHBondContact O-CG 3.44Å; T148-Q152 PolarHBondContact O-N 3.19Å; T148-Q152 VanDerWaalsContact O-N 3.11Å; C149-Q152 PolarHBondContact O-N 3.19Å; Q152-K156 WeakPolarHBondContact O-CB 3.33Å; Q152-K156 WeakPolarHBondContact O-CG 3.26Å; Q152-K156 PolarHBondContact O-N 3.31Å
153L90.7Very high88Confident2 Ų257.3 Ų57.31%0.0130%0.303CS..Hα-helixtrans-72.5-41177.7-177.355.6000112C149 F150 N151 K156 T157 V167 V174 F177 F208C149-L153 WeakPolarHBondContact O-CB 3.44Å; C149-L153 PolarHBondContact O-N 3.28Å; F150-L153 PolarHBondContact O-N 3.49Å; N151-L153 VanDerWaalsContact C-N 3.27Å; N151-L153 PolarHBondContact O-N 2.89Å; L153-K156 PolarHBondContact O-N 3.39Å; L153-T157 HydrophobicContact CD1-CG2 3.86Å; L153-T157 WeakPolarHBondContact O-CB 3.39Å; L153-T157 WeakPolarHBondContact O-CG2 3.42Å; L153-T157 PolarHBondContact O-N 3.44Å; L153-T157 PolarHBondContact O-OG1 2.99Å; L153-V167 HydrophobicContact CD2-CG1 3.83Å; L153-V167 HydrophobicContact CD2-CG2 4.18Å; L153-V167 HydrophobicContact CG-CG1 4.19Å; L153-V167 HydrophobicContact CG-CG2 4.25Å; L153-V174 HydrophobicContact CD1-CG2 4.34Å; L153-V174 HydrophobicContact CD2-CG1 4.38Å; L153-F177 HydrophobicContact CB-CD2 4.5Å; L153-F177 HydrophobicContact CB-CE2 4.49Å; L153-F177 HydrophobicContact CD1-CB 3.77Å; L153-F177 HydrophobicContact CD1-CD1 4.48Å; L153-F177 HydrophobicContact CD1-CD2 4.08Å; L153-F177 HydrophobicContact CD1-CG 3.88Å; L153-F177 HydrophobicContact CD2-CB 4.48Å; L153-F177 HydrophobicContact CD2-CD1 3.86Å; L153-F177 HydrophobicContact CD2-CE1 4.23Å; L153-F177 HydrophobicContact CD2-CG 4.1Å; L153-F177 HydrophobicContact CG-CG 4.47Å; L153-F208 HydrophobicContact CD2-CD2 4.33Å; L153-F208 HydrophobicContact CD2-CE2 3.62Å; L153-F208 HydrophobicContact CD2-CZ 4.33Å
154L89.8Confident87.5Confident0 Ų061.9 Ų61.90%033%0.325CS..Hα-helixtrans-63.7-40.2172.6-75.4175.6000112.1F150 N151 T157 Q158 G159 D162 V167F150-L154 HydrophobicContact CD1-CD1 3.74Å; F150-L154 HydrophobicContact CD1-CG 4.4Å; F150-L154 HydrophobicContact CE1-CD1 3.44Å; F150-L154 VanDerWaalsContact CE1-CD1 3.44Å; F150-L154 HydrophobicContact CE1-CG 4.23Å; F150-L154 HydrophobicContact CZ-CD1 4Å; F150-L154 HydrophobicContact CZ-CG 4.41Å; F150-L154 WeakPolarHBondContact O-CG 3.44Å; F150-L154 PolarHBondContact O-N 2.87Å; N151-L154 PolarHBondContact O-N 2.95Å; L154-T157 PolarHBondContact O-N 2.67Å; L154-Q158 WeakPolarHBondContact O-CA 3.49Å; L154-Q158 WeakPolarHBondContact O-CB 3.49Å; L154-Q158 PolarHBondContact O-N 3.35Å; L154-G159 PolarHBondContact O-N 3.26Å; L154-D162 WeakPolarHBondContact CD1-O 3.47Å; L154-V167 HydrophobicContact CD2-CG2 3.61Å; L154-V167 HydrophobicContact CG-CG2 3.96Å
155E87.7Confident87.1Confident123 Ų12357.8 Ų57.858%0.57531%0.309SS*.Hα-helixtrans-61.5-45.1174-174.7171.6-149.500111.5N151 T157 G159N151-E155 WeakPolarHBondContact O-CB 3.22Å; N151-E155 PolarHBondContact O-N 3.42Å; E155-T157 PolarHBondContact O-N 2.74Å; E155-G159 WeakPolarHBondContact O-CA 3.4Å; E155-G159 PolarHBondContact O-N 2.89Å
156K85.9Confident87Confident142 Ų14255.9 Ų55.962%0.61730%0.304SS*.Hα-helixtrans-68.9-30.8178.9-77.1173.9177.8168.90114.6Q152 L153Q152-K156 WeakPolarHBondContact O-CB 3.33Å; Q152-K156 WeakPolarHBondContact O-CG 3.26Å; Q152-K156 PolarHBondContact O-N 3.31Å; L153-K156 PolarHBondContact O-N 3.39Å
157T86.4Confident86.8Confident28 Ų2855.9 Ų55.917%0.17230%0.304CS..Hα-helixtrans-100.5-31.5-174.756.10000113.7L153 L154 E155 D171 V174L153-T157 HydrophobicContact CD1-CG2 3.86Å; L153-T157 WeakPolarHBondContact O-CB 3.39Å; L153-T157 WeakPolarHBondContact O-CG2 3.42Å; L153-T157 PolarHBondContact O-N 3.44Å; L153-T157 PolarHBondContact O-OG1 2.99Å; L154-T157 PolarHBondContact O-N 2.67Å; E155-T157 PolarHBondContact O-N 2.74Å; T157-D171 WeakPolarHBondContact CG2-OD1 3.33Å; T157-V174 HydrophobicContact CG2-CG2 3.88Å
158Q83.9Confident86.7Confident86 Ų8660.1 Ų60.140%0.40232%0.317SS..Hα-helixtrans-121.8-5.3-174.1-56.4-177.723.800113.2L154 K160 A166L154-Q158 WeakPolarHBondContact O-CA 3.49Å; L154-Q158 WeakPolarHBondContact O-CB 3.49Å; L154-Q158 PolarHBondContact O-N 3.35Å; Q158-K160 PolarHBondContact O-N 3.17Å; Q158-A166 PolarHBondContact NE2-O 3.43Å
159G80.7Confident86.5Confident68 Ų6857 Ų5770%0.70130%0.3SS*.SBendtrans68.78.1-178.500000114.5L154 E155L154-G159 PolarHBondContact O-N 3.26Å; E155-G159 WeakPolarHBondContact O-CA 3.4Å; E155-G159 PolarHBondContact O-N 2.89Å
160K80.2Confident86.1Confident121 Ų12160 Ų6053%0.52631%0.314SS..  trans-145.1115.6-177.4-170.8-162.9178.3-155.80110Q158 D162Q158-K160 PolarHBondContact O-N 3.17Å; K160-D162 HydrophobicContact CD-CB 4.18Å; K160-D162 HydrophobicContact CG-CB 4.43Å; K160-D162 IonicContact NZ-OD2 3.1Å; K160-D162 PolarHBondContact NZ-OD2 2.94Å; K160-D162 PolarHBondContact O-N 3.44Å
161A79.6Confident85.8Confident55 Ų5562.2 Ų62.246%0.45533%0.325SS..  trans-74111.2166.700000109.5N151N151-A161 HydrophobicContact CB-CB 4.26Å
162D83.2Confident85.5Confident49 Ų4963.5 Ų63.526%0.26234%0.336SS..  trans-146109.5177.1-175.4-17.1000108.7L154 K160 Q164 S165L154-D162 WeakPolarHBondContact CD1-O 3.47Å; K160-D162 HydrophobicContact CD-CB 4.18Å; K160-D162 HydrophobicContact CG-CB 4.43Å; K160-D162 IonicContact NZ-OD2 3.1Å; K160-D162 PolarHBondContact NZ-OD2 2.94Å; K160-D162 PolarHBondContact O-N 3.44Å; D162-Q164 PolarHBondContact O-N 2.99Å; D162-Q164 PolarHBondContact OD1-N 3.3Å; D162-Q164 VanDerWaalsContact OD1-N 3.11Å; D162-S165 WeakPolarHBondContact O-CA 3.29Å; D162-S165 VanDerWaalsContact O-CB 3.27Å; D162-S165 WeakPolarHBondContact O-CB 3.46Å; D162-S165 PolarHBondContact O-N 3.18Å
163L80.1Confident85.5Confident68 Ų6861 Ų6136%0.35633%0.331SS..THydrogen-bonded Turntrans-63.9-10.3-175.3-67.4174.5000114.4T147 F150 N151 L205T147-L163 HydrophobicContact CG2-CD1 4.13Å; T147-L163 HydrophobicContact CG2-CD2 3.65Å; F150-L163 HydrophobicContact CD1-CD2 4.03Å; N151-L163 WeakPolarHBondContact OD1-CD2 3.37Å; L163-L205 HydrophobicContact CD2-CD1 4.44Å; L163-L205 HydrophobicContact CD2-CD2 4.29Å
164Q80.4Confident85.4Confident174 Ų17461 Ų6181%0.81333%0.33SS*.THydrogen-bonded Turntrans-95.7-7.8171.9-60.8-64.2-8600112.8D162D162-Q164 PolarHBondContact O-N 2.99Å; D162-Q164 PolarHBondContact OD1-N 3.3Å; D162-Q164 VanDerWaalsContact OD1-N 3.11Å
165S84.1Confident85.4Confident32 Ų3262.1 Ų62.122%0.22434%0.335CS..SBendtrans-81.1163.3166.6-610000110.1F150 D162F150-S165 WeakPolarHBondContact CZ-O 3.36Å; D162-S165 WeakPolarHBondContact O-CA 3.29Å; D162-S165 VanDerWaalsContact O-CB 3.27Å; D162-S165 WeakPolarHBondContact O-CB 3.46Å; D162-S165 PolarHBondContact O-N 3.18Å
166A88.5Confident85.5Confident8 Ų861 Ų617%0.06633%0.33CS..  trans-138.6144.6-174.800000110.6Q158 L203 N204Q158-A166 PolarHBondContact NE2-O 3.43Å; A166-L203 CarbonylContact C-O 3.41Å; A166-L203 WeakPolarHBondContact CA-O 3.47Å; A166-L203 VanDerWaalsContact CB-O 3.3Å; A166-L203 WeakPolarHBondContact CB-O 3.42Å; A166-N204 HydrophobicContact CB-CB 4.41Å; A166-N204 VanDerWaalsContact CB-OD1 3.28Å; A166-N204 WeakPolarHBondContact CB-OD1 3.4Å
167V90.1Very high85.7Confident0 Ų054.6 Ų54.60%030%0.302CS..EExtended strand (participates in β ladder)trans-81.8125.1-165.9171.50000109.5F150 L153 L154 V174 Y202 L203F150-V167 HydrophobicContact CD2-CG2 3.84Å; F150-V167 HydrophobicContact CE2-CB 4.24Å; F150-V167 HydrophobicContact CE2-CG2 3.42Å; F150-V167 VanDerWaalsContact CE2-CG2 3.42Å; F150-V167 HydrophobicContact CZ-CG2 4.12Å; L153-V167 HydrophobicContact CD2-CG1 3.83Å; L153-V167 HydrophobicContact CD2-CG2 4.18Å; L153-V167 HydrophobicContact CG-CG1 4.19Å; L153-V167 HydrophobicContact CG-CG2 4.25Å; L154-V167 HydrophobicContact CD2-CG2 3.61Å; L154-V167 HydrophobicContact CG-CG2 3.96Å; V167-V174 HydrophobicContact CG1-CB 3.98Å; V167-V174 HydrophobicContact CG1-CG1 3.49Å; V167-V174 VanDerWaalsContact CG1-CG1 3.49Å; V167-V174 HydrophobicContact CG1-CG2 3.19Å; V167-Y202 CarbonylContact O-C 3.58Å; V167-Y202 WeakPolarHBondContact O-CA 3.49Å; V167-Y202 WeakPolarHBondContact O-CB 3.3Å; V167-L203 PolarHBondContact N-O 3.32Å; V167-L203 PolarHBondContact O-N 3.22Å
168R89.5Confident86Confident110 Ų11054 Ų5442%0.41530%0.297SS..EExtended strand (participates in β ladder)trans-82.5121.2-174.5-173.8172.3-176.9-108.5-8.2111.5Q170 D171 V174 Y202R168-Q170 VanDerWaalsContact CG-OE1 3.25Å; R168-Q170 PolarHBondContact O-N 3.08Å; R168-D171 WeakPolarHBondContact O-CB 3.42Å; R168-D171 PolarHBondContact O-N 3.3Å; R168-V174 WeakPolarHBondContact O-CG2 3.45Å; R168-Y202 VanDerWaalsContact CA-CD1 3.44Å; R168-Y202 HydrophobicContact CB-CD1 3.54Å; R168-Y202 HydrophobicContact CB-CE1 3.59Å; R168-Y202 HydrophobicContact CB-CG 4.43Å; R168-Y202 HydrophobicContact CG-CD1 3.81Å; R168-Y202 HydrophobicContact CG-CE1 3.52Å; R168-Y202 HydrophobicContact CG-CG 4.47Å
169G88.4Confident86.4Confident9 Ų953.3 Ų53.39%0.09330%0.296CS..THydrogen-bonded Turntrans-65.5-21.1-177.900000115.2D171 W192 G201G169-D171 VanDerWaalsContact C-N 3.27Å; G169-D171 PolarHBondContact O-N 3.43Å; G169-W192 VanDerWaalsContact CA-CZ2 3.41Å; G169-G201 WeakPolarHBondContact CA-O 3.09Å; G169-G201 PolarHBondContact N-O 3.12Å
170Q85.3Confident86.7Confident69 Ų6951.3 Ų51.332%0.32227%0.268SS..THydrogen-bonded Turntrans-86.813.6173.3-46.291.414.800114.2R168 W254R168-Q170 VanDerWaalsContact CG-OE1 3.25Å; R168-Q170 PolarHBondContact O-N 3.08Å; Q170-W254 VanDerWaalsContact C-CZ2 3.45Å; Q170-W254 HydrophobicContact CB-CZ2 4.39Å; Q170-W254 WeakPolarHBondContact O-CZ2 3.4Å
171D86.4Confident87.2Confident45 Ų4546.2 Ų46.224%0.24125%0.247CC..  trans-96.9127.5172.3-172.8-73.4000110.8T157 R168 G169 G173 V174T157-D171 WeakPolarHBondContact CG2-OD1 3.33Å; R168-D171 WeakPolarHBondContact O-CB 3.42Å; R168-D171 PolarHBondContact O-N 3.3Å; G169-D171 VanDerWaalsContact C-N 3.27Å; G169-D171 PolarHBondContact O-N 3.43Å; D171-G173 VanDerWaalsContact C-N 3.27Å; D171-G173 PolarHBondContact O-N 3.47Å; D171-G173 WeakPolarHBondContact OD1-CA 3.36Å; D171-G173 PolarHBondContact OD1-N 3.17Å; D171-V174 HydrophobicContact CB-CG2 3.95Å; D171-V174 WeakPolarHBondContact O-CB 3.32Å; D171-V174 PolarHBondContact O-N 3.05Å; D171-V174 VanDerWaalsContact O-N 3.16Å
172P85.8Confident87.7Confident70 Ų7049.8 Ų49.846%0.45526%0.255SS..Hα-helixtrans-63-31.2-175.925.4-33.7000113.4V174 F175 E176 W254P172-V174 PolarHBondContact O-N 3.06Å; P172-F175 PolarHBondContact O-N 3.46Å; P172-E176 WeakPolarHBondContact O-CB 3.45Å; P172-E176 VanDerWaalsContact O-CG 3.32Å; P172-E176 WeakPolarHBondContact O-CG 3.47Å; P172-E176 PolarHBondContact O-N 3.31Å; P172-W254 HydrophobicContact CB-CH2 4.06Å
173G88Confident88Confident23 Ų2348.1 Ų48.124%0.23725%0.246CC..Hα-helixtrans-62.1-26.4178.400000112.9D171 F177D171-G173 VanDerWaalsContact C-N 3.27Å; D171-G173 PolarHBondContact O-N 3.47Å; D171-G173 WeakPolarHBondContact OD1-CA 3.36Å; D171-G173 PolarHBondContact OD1-N 3.17Å; G173-F177 WeakPolarHBondContact O-CB 3.2Å; G173-F177 PolarHBondContact O-N 3.33Å
174V90.2Very high88.6Confident1 Ų148.1 Ų48.11%0.00625%0.25CC..Hα-helixtrans-74.2-49177.7-177.60000111.3L153 T157 V167 R168 D171 P172 F177 F178 W192L153-V174 HydrophobicContact CD1-CG2 4.34Å; L153-V174 HydrophobicContact CD2-CG1 4.38Å; T157-V174 HydrophobicContact CG2-CG2 3.88Å; V167-V174 HydrophobicContact CG1-CB 3.98Å; V167-V174 HydrophobicContact CG1-CG1 3.49Å; V167-V174 VanDerWaalsContact CG1-CG1 3.49Å; V167-V174 HydrophobicContact CG1-CG2 3.19Å; R168-V174 WeakPolarHBondContact O-CG2 3.45Å; D171-V174 HydrophobicContact CB-CG2 3.95Å; D171-V174 WeakPolarHBondContact O-CB 3.32Å; D171-V174 PolarHBondContact O-N 3.05Å; D171-V174 VanDerWaalsContact O-N 3.16Å; P172-V174 PolarHBondContact O-N 3.06Å; V174-F177 WeakPolarHBondContact O-CB 3.37Å; V174-F177 PolarHBondContact O-N 2.98Å; V174-F178 HydrophobicContact CG1-CD2 4.15Å; V174-F178 HydrophobicContact CG1-CE2 3.84Å; V174-F178 VanDerWaalsContact O-CD2 3.28Å; V174-F178 WeakPolarHBondContact O-CD2 3.39Å; V174-F178 PolarHBondContact O-N 3.26Å; V174-F178 VanDerWaalsContact O-N 3.08Å; V174-W192 HydrophobicContact CG1-CH2 4.37Å; V174-W192 HydrophobicContact CG1-CZ3 3.77Å
175F88.6Confident89.1Confident23 Ų2344.6 Ų44.610%0.10123%0.229CC..Hα-helixtrans-67.5-41.2177-169.8-86.8000111.3P172 F177 F178 L179 R185 L188 W254 F257P172-F175 PolarHBondContact O-N 3.46Å; F175-F177 VanDerWaalsContact C-N 3.29Å; F175-F177 PolarHBondContact O-N 3.22Å; F175-F178 PolarHBondContact O-N 3Å; F175-L179 HydrophobicContact CE1-CB 4.37Å; F175-L179 HydrophobicContact CE1-CD1 4.27Å; F175-L179 HydrophobicContact CE1-CD2 4.3Å; F175-L179 VanDerWaalsContact O-CB 3.31Å; F175-L179 WeakPolarHBondContact O-CB 3.43Å; F175-L179 PolarHBondContact O-N 3.41Å; F175-R185 HydrophobicContact CZ-CG 4Å; F175-L188 HydrophobicContact CE2-CB 4.28Å; F175-L188 HydrophobicContact CZ-CD1 4.26Å; F175-W254 HydrophobicContact CB-CE3 3.66Å; F175-W254 HydrophobicContact CB-CZ3 3.51Å; F175-W254 HydrophobicContact CD2-CE3 4.11Å; F175-W254 AromaticContact CG-CE3 3.97Å; F175-W254 HydrophobicContact CG-CE3 3.97Å; F175-W254 HydrophobicContact CG-CZ3 4.17Å; F175-F257 HydrophobicContact CE2-CE2 4.23Å; F175-F257 HydrophobicContact CE2-CZ 4.22Å; F175-F257 HydrophobicContact CZ-CE2 4.24Å; F175-F257 HydrophobicContact CZ-CZ 4.23Å
176E89.4Confident89.5Confident99 Ų9948 Ų4846%0.46324%0.244SC..Hα-helixtrans-61.3-37.2173.6-75.5177.8-160.700112.3P172 L179 K180P172-E176 WeakPolarHBondContact O-CB 3.45Å; P172-E176 VanDerWaalsContact O-CG 3.32Å; P172-E176 WeakPolarHBondContact O-CG 3.47Å; P172-E176 PolarHBondContact O-N 3.31Å; E176-L179 PolarHBondContact O-N 2.92Å; E176-K180 VanDerWaalsContact O-CE 3.22Å; E176-K180 WeakPolarHBondContact O-CE 3.44Å; E176-K180 WeakPolarHBondContact O-CG 3.35Å; E176-K180 PolarHBondContact O-N 2.73Å
177F91.8Very high89.7Confident9 Ų949.2 Ų49.24%0.03925%0.249CC..Hα-helixtrans-62.4-45.8174.3177.2-87000111.5C149 L153 G173 V174 F175 K180 F208 M212 F280C149-F177 HydrophobicContact CB-CZ 4Å; L153-F177 HydrophobicContact CB-CD2 4.5Å; L153-F177 HydrophobicContact CB-CE2 4.49Å; L153-F177 HydrophobicContact CD1-CB 3.77Å; L153-F177 HydrophobicContact CD1-CD1 4.48Å; L153-F177 HydrophobicContact CD1-CD2 4.08Å; L153-F177 HydrophobicContact CD1-CG 3.88Å; L153-F177 HydrophobicContact CD2-CB 4.48Å; L153-F177 HydrophobicContact CD2-CD1 3.86Å; L153-F177 HydrophobicContact CD2-CE1 4.23Å; L153-F177 HydrophobicContact CD2-CG 4.1Å; L153-F177 HydrophobicContact CG-CG 4.47Å; G173-F177 WeakPolarHBondContact O-CB 3.2Å; G173-F177 PolarHBondContact O-N 3.33Å; V174-F177 WeakPolarHBondContact O-CB 3.37Å; V174-F177 PolarHBondContact O-N 2.98Å; F175-F177 VanDerWaalsContact C-N 3.29Å; F175-F177 PolarHBondContact O-N 3.22Å; F177-K180 PolarHBondContact O-N 3.16Å; F177-F208 HydrophobicContact CD1-CE2 4.44Å; F177-F208 AromaticContact CE1-CE2 3.93Å; F177-F208 HydrophobicContact CE1-CE2 3.93Å; F177-F208 AromaticContact CE1-CZ 3.66Å; F177-F208 HydrophobicContact CE1-CZ 3.66Å; F177-F208 HydrophobicContact CZ-CZ 4.12Å; F177-M212 HydrophobicContact CE1-CE 3.51Å; F177-M212 HydrophobicContact CZ-CE 4.08Å; F177-F280 HydrophobicContact CD2-CE1 4.29Å; F177-F280 HydrophobicContact CD2-CE2 4.23Å; F177-F280 AromaticContact CD2-CZ 3.7Å; F177-F280 HydrophobicContact CD2-CZ 3.7Å; F177-F280 HydrophobicContact CE2-CE1 4.23Å; F177-F280 AromaticContact CE2-CE2 3.64Å; F177-F280 HydrophobicContact CE2-CE2 3.64Å; F177-F280 AromaticContact CE2-CZ 3.24Å; F177-F280 HydrophobicContact CE2-CZ 3.24Å; F177-F280 HydrophobicContact CZ-CE2 4.4Å; F177-F280 AromaticContact CZ-CZ 3.77Å; F177-F280 HydrophobicContact CZ-CZ 3.77Å
178F92.3Very high89.9Confident14 Ų1449.7 Ų49.76%0.06125%0.251CS..Hα-helixtrans-69.5-34.6175.4-69.8-52.1000113.5V174 F175 K180 S181 L188 W192 L203 F208 A211 M212 I215V174-F178 HydrophobicContact CG1-CD2 4.15Å; V174-F178 HydrophobicContact CG1-CE2 3.84Å; V174-F178 VanDerWaalsContact O-CD2 3.28Å; V174-F178 WeakPolarHBondContact O-CD2 3.39Å; V174-F178 PolarHBondContact O-N 3.26Å; V174-F178 VanDerWaalsContact O-N 3.08Å; F175-F178 PolarHBondContact O-N 3Å; F178-K180 PolarHBondContact O-N 3.46Å; F178-S181 VanDerWaalsContact O-CB 3.31Å; F178-S181 WeakPolarHBondContact O-CB 3.16Å; F178-S181 PolarHBondContact O-N 3.39Å; F178-S181 PolarHBondContact O-OG 2.88Å; F178-L188 HydrophobicContact CB-CD1 4.27Å; F178-L188 HydrophobicContact CB-CD2 4.05Å; F178-W192 HydrophobicContact CE2-CE3 4.18Å; F178-W192 HydrophobicContact CE2-CZ3 4.02Å; F178-L203 HydrophobicContact CE2-CD1 4.13Å; F178-L203 HydrophobicContact CZ-CD1 4.05Å; F178-F208 HydrophobicContact CE1-CD2 4.31Å; F178-F208 AromaticContact CE1-CE2 3.87Å; F178-F208 HydrophobicContact CE1-CE2 3.87Å; F178-F208 AromaticContact CZ-CD2 3.85Å; F178-F208 HydrophobicContact CZ-CD2 3.85Å; F178-F208 AromaticContact CZ-CE2 3.76Å; F178-F208 HydrophobicContact CZ-CE2 3.76Å; F178-A211 HydrophobicContact CE1-CB 4.29Å; F178-A211 HydrophobicContact CZ-CB 4.07Å; F178-M212 HydrophobicContact CE1-CE 4.24Å; F178-I215 HydrophobicContact CB-CD1 4.39Å; F178-I215 HydrophobicContact CD1-CD1 3.28Å; F178-I215 HydrophobicContact CE1-CD1 3.73Å; F178-I215 HydrophobicContact CG-CD1 4.09Å
179L91.9Very high90Very high72 Ų7244.8 Ų44.838%0.37724%0.236SC..Hα-helixtrans-61.7-24.9179-169.763.1000113F175 E176 S181 Q182 L188F175-L179 HydrophobicContact CE1-CB 4.37Å; F175-L179 HydrophobicContact CE1-CD1 4.27Å; F175-L179 HydrophobicContact CE1-CD2 4.3Å; F175-L179 VanDerWaalsContact O-CB 3.31Å; F175-L179 WeakPolarHBondContact O-CB 3.43Å; F175-L179 PolarHBondContact O-N 3.41Å; E176-L179 PolarHBondContact O-N 2.92Å; L179-S181 PolarHBondContact O-N 2.91Å; L179-Q182 PolarHBondContact O-N 3.2Å; L179-Q182 VanDerWaalsContact O-N 3.08Å; L179-L188 HydrophobicContact CB-CD1 4.33Å; L179-L188 HydrophobicContact CD1-CD1 4.06Å
180K87.7Confident90.3Very high27 Ų2750.2 Ų50.212%0.11726%0.257CS..THydrogen-bonded Turntrans-67-13174.7-68163.8-157.9170.30113.8E176 F177 F178 Q182 F280 T281 L284E176-K180 VanDerWaalsContact O-CE 3.22Å; E176-K180 WeakPolarHBondContact O-CE 3.44Å; E176-K180 WeakPolarHBondContact O-CG 3.35Å; E176-K180 PolarHBondContact O-N 2.73Å; F177-K180 PolarHBondContact O-N 3.16Å; F178-K180 PolarHBondContact O-N 3.46Å; K180-Q182 PolarHBondContact O-N 2.89Å; K180-F280 HydrophobicContact CB-CD1 3.84Å; K180-F280 HydrophobicContact CB-CE1 3.82Å; K180-F280 HydrophobicContact CD-CD1 3.33Å; K180-F280 HydrophobicContact CD-CE1 3.7Å; K180-F280 HydrophobicContact CD-CG 4.23Å; K180-F280 HydrophobicContact CG-CD1 4.11Å; K180-F280 HydrophobicContact CG-CE1 4.38Å; K180-T281 HydrophobicContact CB-CG2 3.66Å; K180-T281 HydrophobicContact CG-CG2 3.83Å; K180-L284 HydrophobicContact CB-CD1 4.49Å
181S89.3Confident90.6Very high13 Ų1347.1 Ų47.19%0.09124%0.242CC..THydrogen-bonded Turntrans-71.9-3.516967.40000114.4F178 L179 L183 V219F178-S181 VanDerWaalsContact O-CB 3.31Å; F178-S181 WeakPolarHBondContact O-CB 3.16Å; F178-S181 PolarHBondContact O-N 3.39Å; F178-S181 PolarHBondContact O-OG 2.88Å; L179-S181 PolarHBondContact O-N 2.91Å; S181-L183 PolarHBondContact O-N 2.83Å; S181-L183 VanDerWaalsContact O-N 3.13Å; S181-V219 WeakPolarHBondContact O-CG2 3.31Å
182Q89.8Confident90.9Very high130 Ų13047 Ų4761%0.60724%0.238SC*.  trans60.311-173.9-55.7-162.42.600115.4L179 K180 M285L179-Q182 PolarHBondContact O-N 3.2Å; L179-Q182 VanDerWaalsContact O-N 3.08Å; K180-Q182 PolarHBondContact O-N 2.89Å; Q182-M285 HydrophobicContact CB-SD 4.35Å; Q182-M285 HydrophobicContact CG-SD 3.63Å; Q182-M285 PolarHBondContact NE2-SD 3.2Å
183L90.7Very high91.3Very high15 Ų1548.8 Ų48.88%0.07924%0.239CC..  trans-71.5142.7172.6-62.1-173.9000111.4S181 E187 L188 I215 R218 V219S181-L183 PolarHBondContact O-N 2.83Å; S181-L183 VanDerWaalsContact O-N 3.13Å; L183-E187 HydrophobicContact CB-CB 4.4Å; L183-L188 HydrophobicContact CB-CD2 3.84Å; L183-L188 HydrophobicContact CB-CG 4.04Å; L183-L188 HydrophobicContact CD1-CD2 4.2Å; L183-I215 HydrophobicContact CD1-CB 4.23Å; L183-I215 HydrophobicContact CD1-CG1 4.01Å; L183-I215 HydrophobicContact CD1-CG2 4Å; L183-R218 HydrophobicContact CD1-CB 4.1Å; L183-R218 HydrophobicContact CD1-CG 3.88Å; L183-R218 HydrophobicContact CD2-CB 4.33Å; L183-R218 HydrophobicContact CD2-CG 3.52Å; L183-R218 HydrophobicContact CG-CG 4.38Å; L183-V219 HydrophobicContact CD1-CG2 4.34Å; L183-V219 HydrophobicContact CD2-CG2 3.72Å; L183-V219 HydrophobicContact CG-CG2 3.95Å
184P92.4Very high91.5Very high67 Ų6748.8 Ų48.844%0.43523%0.234SC..  trans-54.8148.9174.6-26.834.5000112.8D186 E187 L188P184-D186 PolarHBondContact O-N 3.1Å; P184-D186 VanDerWaalsContact O-N 3.1Å; P184-E187 HydrophobicContact CB-CB 4.43Å; P184-E187 HydrophobicContact CB-CG 4.33Å; P184-E187 HydrophobicContact CG-CG 4.3Å; P184-E187 WeakPolarHBondContact O-CA 3.28Å; P184-E187 WeakPolarHBondContact O-CB 3.47Å; P184-E187 PolarHBondContact O-N 3.08Å; P184-L188 PolarHBondContact O-N 2.76Å
185R91.2Very high91.6Very high100 Ų10048.8 Ų48.838%0.37723%0.233SC..Hα-helixtrans-45.9-42.4175.5-157.9100.3-174.8175.3-170.2112.7F175 G189 F257F175-R185 HydrophobicContact CZ-CG 4Å; R185-G189 PolarHBondContact O-N 3.47Å; R185-F257 HydrophobicContact CB-CD2 4.29Å; R185-F257 HydrophobicContact CG-CB 4.22Å; R185-F257 HydrophobicContact CG-CD1 4.23Å; R185-F257 HydrophobicContact CG-CD2 3.13Å; R185-F257 HydrophobicContact CG-CE1 4.48Å; R185-F257 HydrophobicContact CG-CE2 3.37Å; R185-F257 HydrophobicContact CG-CG 3.59Å; R185-F257 HydrophobicContact CG-CZ 4.07Å; R185-F257 VanDerWaalsContact NH1-CZ 3.33Å
186D92.8Very high91.8Very high103 Ų10348.1 Ų48.155%0.55123%0.231SC*.Hα-helixtrans-75.1-30.4-179.1-49.8-48.4000113.4P184 K190P184-D186 PolarHBondContact O-N 3.1Å; P184-D186 VanDerWaalsContact O-N 3.1Å; D186-K190 WeakPolarHBondContact O-CG 3.27Å; D186-K190 PolarHBondContact O-N 3.05Å
187E93Very high91.8Very high35 Ų3544.8 Ų44.816%0.16422%0.217CC..Hα-helixtrans-71.6-43.1173.6-73.9-164.4-16900110.5L183 P184 G189 K190 V191 R218 I225L183-E187 HydrophobicContact CB-CB 4.4Å; P184-E187 HydrophobicContact CB-CB 4.43Å; P184-E187 HydrophobicContact CB-CG 4.33Å; P184-E187 HydrophobicContact CG-CG 4.3Å; P184-E187 WeakPolarHBondContact O-CA 3.28Å; P184-E187 WeakPolarHBondContact O-CB 3.47Å; P184-E187 PolarHBondContact O-N 3.08Å; E187-G189 VanDerWaalsContact C-N 3.33Å; E187-G189 PolarHBondContact O-N 2.72Å; E187-K190 WeakPolarHBondContact O-CB 3.44Å; E187-K190 PolarHBondContact O-N 2.65Å; E187-K190 VanDerWaalsContact O-N 3.1Å; E187-V191 WeakPolarHBondContact O-CG2 3.31Å; E187-V191 PolarHBondContact O-N 2.94Å; E187-R218 IonicContact OE1-CZ 2.67Å; E187-R218 IonicContact OE1-NE 3.29Å; E187-R218 PolarHBondContact OE1-NE 3.11Å; E187-R218 IonicContact OE1-NH2 3.6Å; E187-R218 PolarHBondContact OE1-NH2 2.97Å; E187-R218 WeakPolarHBondContact OE2-CG 3.46Å; E187-R218 IonicContact OE2-CZ 2.75Å; E187-R218 IonicContact OE2-NE 2.89Å; E187-R218 PolarHBondContact OE2-NE 3.32Å; E187-R218 IonicContact OE2-NH2 3.94Å; E187-I225 HydrophobicContact CB-CD1 3.59Å; E187-I225 HydrophobicContact CG-CD1 3.92Å
188L93.7Very high91.6Very high9 Ų945.5 Ų45.55%0.04722%0.222CC..Hα-helixtrans-62.5-39.4173.9-64.6179000112.3F175 F178 L179 L183 P184 K190 V191 W192 I215F175-L188 HydrophobicContact CE2-CB 4.28Å; F175-L188 HydrophobicContact CZ-CD1 4.26Å; F178-L188 HydrophobicContact CB-CD1 4.27Å; F178-L188 HydrophobicContact CB-CD2 4.05Å; L179-L188 HydrophobicContact CB-CD1 4.33Å; L179-L188 HydrophobicContact CD1-CD1 4.06Å; L183-L188 HydrophobicContact CB-CD2 3.84Å; L183-L188 HydrophobicContact CB-CG 4.04Å; L183-L188 HydrophobicContact CD1-CD2 4.2Å; P184-L188 PolarHBondContact O-N 2.76Å; L188-K190 VanDerWaalsContact C-N 3.28Å; L188-K190 PolarHBondContact O-N 3.2Å; L188-V191 PolarHBondContact O-N 3.03Å; L188-W192 PolarHBondContact O-N 2.88Å; L188-I215 HydrophobicContact CD2-CD1 4.12Å; L188-I215 HydrophobicContact CD2-CG1 4.37Å
189G92.4Very high91.4Very high8 Ų852.7 Ų52.78%0.08226%0.255CS..Hα-helixtrans-61.4-33.5172.500000113.5R185 E187 K193R185-G189 PolarHBondContact O-N 3.47Å; E187-G189 VanDerWaalsContact C-N 3.33Å; E187-G189 PolarHBondContact O-N 2.72Å; G189-K193 WeakPolarHBondContact O-CG 3.27Å; G189-K193 PolarHBondContact O-N 3.1Å
190K92.9Very high91.4Very high123 Ų12350.3 Ų50.354%0.53524%0.243SC..Hα-helixtrans-72.7-45.8172.7-69.8165.8-172.7173.40111.8D186 E187 L188 W192 K193 L194 I225D186-K190 WeakPolarHBondContact O-CG 3.27Å; D186-K190 PolarHBondContact O-N 3.05Å; E187-K190 WeakPolarHBondContact O-CB 3.44Å; E187-K190 PolarHBondContact O-N 2.65Å; E187-K190 VanDerWaalsContact O-N 3.1Å; L188-K190 VanDerWaalsContact C-N 3.28Å; L188-K190 PolarHBondContact O-N 3.2Å; K190-W192 VanDerWaalsContact C-N 3.29Å; K190-W192 PolarHBondContact O-N 3.38Å; K190-K193 PolarHBondContact O-N 3.32Å; K190-L194 WeakPolarHBondContact O-CD1 3.44Å; K190-L194 VanDerWaalsContact O-CG 3.32Å; K190-L194 WeakPolarHBondContact O-CG 3.48Å; K190-L194 PolarHBondContact O-N 3.16Å; K190-L194 VanDerWaalsContact O-N 3.09Å; K190-I225 HydrophobicContact CB-CG2 4.43Å
191V93.3Very high91.5Very high4 Ų449.6 Ų49.62%0.02424%0.243CC..Hα-helixtrans-55.8-45.6176.1171.70000110.8E187 L188 K193 L194 A195 A211 L214 I215 I225E187-V191 WeakPolarHBondContact O-CG2 3.31Å; E187-V191 PolarHBondContact O-N 2.94Å; L188-V191 PolarHBondContact O-N 3.03Å; V191-K193 PolarHBondContact O-N 3.49Å; V191-L194 PolarHBondContact O-N 3.33Å; V191-A195 WeakPolarHBondContact O-CB 3.36Å; V191-A195 PolarHBondContact O-N 3Å; V191-A211 HydrophobicContact CG1-CB 3.93Å; V191-A211 WeakPolarHBondContact CG1-O 3.4Å; V191-L214 HydrophobicContact CG1-CB 4.27Å; V191-L214 HydrophobicContact CG1-CD1 4.44Å; V191-L214 HydrophobicContact CG2-CB 4.2Å; V191-I215 HydrophobicContact CG1-CD1 4.19Å; V191-I215 HydrophobicContact CG1-CG1 4.03Å; V191-I215 HydrophobicContact CG2-CG1 4.24Å; V191-I225 HydrophobicContact CG2-CD1 3.81Å; V191-I225 HydrophobicContact CG2-CG1 4.2Å; V191-I225 HydrophobicContact CG2-CG2 4.31Å
192W92.8Very high91.6Very high42 Ų4251.3 Ų51.316%0.15925%0.248CC..Hα-helixtrans-56.3-52.2176.7-172.8-75.7000111.7G169 V174 F178 L188 K190 L194 A195 D196 L203G169-W192 VanDerWaalsContact CA-CZ2 3.41Å; V174-W192 HydrophobicContact CG1-CH2 4.37Å; V174-W192 HydrophobicContact CG1-CZ3 3.77Å; F178-W192 HydrophobicContact CE2-CE3 4.18Å; F178-W192 HydrophobicContact CE2-CZ3 4.02Å; L188-W192 PolarHBondContact O-N 2.88Å; K190-W192 VanDerWaalsContact C-N 3.29Å; K190-W192 PolarHBondContact O-N 3.38Å; W192-L194 PolarHBondContact O-N 3.21Å; W192-A195 PolarHBondContact O-N 3.44Å; W192-A195 VanDerWaalsContact O-N 3.11Å; W192-D196 PolarHBondContact NE1-OD2 3.41Å; W192-D196 VanDerWaalsContact O-CB 3.31Å; W192-D196 WeakPolarHBondContact O-CB 3.16Å; W192-D196 PolarHBondContact O-N 2.83Å; W192-L203 HydrophobicContact CE3-CD1 3.9Å; W192-L203 HydrophobicContact CE3-CG 4.48Å; W192-L203 HydrophobicContact CH2-CD1 3.68Å; W192-L203 HydrophobicContact CH2-CD2 4.45Å; W192-L203 HydrophobicContact CH2-CG 3.55Å; W192-L203 HydrophobicContact CZ2-CD1 4.32Å; W192-L203 HydrophobicContact CZ2-CD2 4.34Å; W192-L203 HydrophobicContact CZ2-CG 3.87Å; W192-L203 HydrophobicContact CZ3-CD1 3.47Å; W192-L203 VanDerWaalsContact CZ3-CD1 3.47Å; W192-L203 HydrophobicContact CZ3-CG 3.91Å
193K92.5Very high91.7Very high108 Ų10845.1 Ų45.147%0.4722%0.219SC..Hα-helixtrans-63-21.8-178.9-69.4-179.8-169.6-157.80114G189 K190 V191 T255G189-K193 WeakPolarHBondContact O-CG 3.27Å; G189-K193 PolarHBondContact O-N 3.1Å; K190-K193 PolarHBondContact O-N 3.32Å; V191-K193 PolarHBondContact O-N 3.49Å; K193-T255 PolarHBondContact NZ-OG1 2.78Å
194L92.3Very high91.8Very high23 Ų2345.8 Ų45.812%0.1222%0.222CC..Hα-helixtrans-87.5-29.4176-67.5163.2000112.7K190 V191 W192 L214 I225 P226 L229K190-L194 WeakPolarHBondContact O-CD1 3.44Å; K190-L194 VanDerWaalsContact O-CG 3.32Å; K190-L194 WeakPolarHBondContact O-CG 3.48Å; K190-L194 PolarHBondContact O-N 3.16Å; K190-L194 VanDerWaalsContact O-N 3.09Å; V191-L194 PolarHBondContact O-N 3.33Å; W192-L194 PolarHBondContact O-N 3.21Å; L194-L214 HydrophobicContact CB-CD1 3.98Å; L194-L214 HydrophobicContact CD1-CD1 4.14Å; L194-I225 HydrophobicContact CD1-CG2 3.51Å; L194-P226 WeakPolarHBondContact CD1-O 3.45Å; L194-L229 HydrophobicContact CB-CD1 4.45Å
195A92.4Very high91.7Very high0 Ų043.7 Ų43.70%021%0.208CC..Hα-helixtrans-87.1-35.5-178.600000113.3V191 W192 V197 L203 E207 V210 A211V191-A195 WeakPolarHBondContact O-CB 3.36Å; V191-A195 PolarHBondContact O-N 3Å; W192-A195 PolarHBondContact O-N 3.44Å; W192-A195 VanDerWaalsContact O-N 3.11Å; A195-V197 PolarHBondContact O-N 3.11Å; A195-L203 HydrophobicContact CB-CD2 3.88Å; A195-E207 WeakPolarHBondContact CB-O 3.25Å; A195-E207 WeakPolarHBondContact O-CB 3.35Å; A195-E207 WeakPolarHBondContact O-CG 3.43Å; A195-V210 HydrophobicContact CB-CG1 4.31Å; A195-A211 HydrophobicContact CB-CB 3.67Å
196D93.1Very high91.7Very high10 Ų1042.4 Ų42.45%0.05321%0.208CC..  trans-76.966.1178.2-168.6-9000110.7W192 N198 E199 D200 G201 L203W192-D196 PolarHBondContact NE1-OD2 3.41Å; W192-D196 VanDerWaalsContact O-CB 3.31Å; W192-D196 WeakPolarHBondContact O-CB 3.16Å; W192-D196 PolarHBondContact O-N 2.83Å; D196-N198 PolarHBondContact O-N 3.36Å; D196-N198 PolarHBondContact OD1-OD1 3.29Å; D196-E199 PolarHBondContact O-N 2.94Å; D196-E199 VanDerWaalsContact O-N 3.15Å; D196-E199 WeakPolarHBondContact OD1-CA 3.48Å; D196-E199 PolarHBondContact OD1-N 3.44Å; D196-E199 VanDerWaalsContact OD1-N 3.11Å; D196-D200 PolarHBondContact OD1-N 2.85Å; D196-G201 WeakPolarHBondContact OD2-CA 3.33Å; D196-G201 PolarHBondContact OD2-N 3.43Å; D196-L203 HydrophobicContact CB-CD2 4.11Å
197V88.7Confident91.8Very high28 Ų2837.7 Ų37.717%0.1718%0.183CC..THydrogen-bonded Turntrans-71.2-18.8-170.71740000113.2A195 L229 V234 P235 R237A195-V197 PolarHBondContact O-N 3.11Å; V197-L229 HydrophobicContact CG2-CD2 3.97Å; V197-V234 HydrophobicContact CG1-CG1 4.23Å; V197-P235 HydrophobicContact CB-CG 4.46Å; V197-P235 HydrophobicContact CG2-CG 4.24Å; V197-R237 HydrophobicContact CG1-CG 4.23Å; V197-R237 PolarHBondContact O-NH1 2.86Å
198N87.5Confident91.8Very high25 Ų2536 Ų3613%0.13418%0.175CC..THydrogen-bonded Turntrans-93.7-9.6174.768.541.6000113.2D196 D200 E207D196-N198 PolarHBondContact O-N 3.36Å; D196-N198 PolarHBondContact OD1-OD1 3.29Å; N198-D200 PolarHBondContact O-N 3.46Å; N198-D200 WeakPolarHBondContact OD1-CA 3.34Å; N198-D200 WeakPolarHBondContact OD1-CB 3.36Å; N198-D200 PolarHBondContact OD1-N 2.95Å; N198-D200 PolarHBondContact OD1-OD1 2.99Å; N198-E207 PolarHBondContact ND2-OE1 3.03Å; N198-E207 PolarHBondContact ND2-OE2 2.87Å
199E89Confident91.7Very high165 Ų16535.8 Ų35.877%0.77117%0.174SC*.  trans53.527-175.9-59.2-176174.100114.4D196 G201D196-E199 PolarHBondContact O-N 2.94Å; D196-E199 VanDerWaalsContact O-N 3.15Å; D196-E199 WeakPolarHBondContact OD1-CA 3.48Å; D196-E199 PolarHBondContact OD1-N 3.44Å; D196-E199 VanDerWaalsContact OD1-N 3.11Å; E199-G201 VanDerWaalsContact C-N 3.3Å
200D91Very high91.8Very high22 Ų2235.6 Ų35.612%0.11817%0.171CC..SBendtrans-81.4-10.2179.388.94.2000113.2D196 N198 Y202 P240 R241D196-D200 PolarHBondContact OD1-N 2.85Å; N198-D200 PolarHBondContact O-N 3.46Å; N198-D200 WeakPolarHBondContact OD1-CA 3.34Å; N198-D200 WeakPolarHBondContact OD1-CB 3.36Å; N198-D200 PolarHBondContact OD1-N 2.95Å; N198-D200 PolarHBondContact OD1-OD1 2.99Å; D200-Y202 WeakPolarHBondContact O-CD2 3.28Å; D200-Y202 WeakPolarHBondContact OD1-CB 3.35Å; D200-Y202 WeakPolarHBondContact OD1-CD2 3.35Å; D200-Y202 PolarHBondContact OD1-N 3.07Å; D200-P240 HydrophobicContact CB-CB 4.47Å; D200-R241 IonicContact OD1-CZ 3.59Å; D200-R241 IonicContact OD1-NE 3.48Å; D200-R241 IonicContact OD1-NH2 2.73Å; D200-R241 PolarHBondContact OD1-NH2 3.45Å; D200-R241 VanDerWaalsContact OD1-NH2 3.12Å; D200-R241 IonicContact OD2-CZ 3.63Å; D200-R241 PolarHBondContact OD2-N 3.31Å; D200-R241 IonicContact OD2-NE 2.78Å; D200-R241 PolarHBondContact OD2-NE 3.02Å; D200-R241 IonicContact OD2-NH2 3.12Å; D200-R241 PolarHBondContact OD2-NH2 3.32Å
201G90.6Very high91.8Very high11 Ų1129.8 Ų29.811%0.11315%0.146CC..SBendtrans84.715.3177.600000114G169 D196 E199G169-G201 WeakPolarHBondContact CA-O 3.09Å; G169-G201 PolarHBondContact N-O 3.12Å; D196-G201 WeakPolarHBondContact OD2-CA 3.33Å; D196-G201 PolarHBondContact OD2-N 3.43Å; E199-G201 VanDerWaalsContact C-N 3.3Å
202Y91.7Very high91.8Very high50 Ų5030.1 Ų30.120%0.19615%0.148CC..EExtended strand (participates in β ladder)trans-138.4146.5175.6-56.8-116.5000110.3V167 R168 D200 R241V167-Y202 CarbonylContact O-C 3.58Å; V167-Y202 WeakPolarHBondContact O-CA 3.49Å; V167-Y202 WeakPolarHBondContact O-CB 3.3Å; R168-Y202 VanDerWaalsContact CA-CD1 3.44Å; R168-Y202 HydrophobicContact CB-CD1 3.54Å; R168-Y202 HydrophobicContact CB-CE1 3.59Å; R168-Y202 HydrophobicContact CB-CG 4.43Å; R168-Y202 HydrophobicContact CG-CD1 3.81Å; R168-Y202 HydrophobicContact CG-CE1 3.52Å; R168-Y202 HydrophobicContact CG-CG 4.47Å; D200-Y202 WeakPolarHBondContact O-CD2 3.28Å; D200-Y202 WeakPolarHBondContact OD1-CB 3.35Å; D200-Y202 WeakPolarHBondContact OD1-CD2 3.35Å; D200-Y202 PolarHBondContact OD1-N 3.07Å; Y202-R241 VanDerWaalsContact CB-CZ 3.44Å; Y202-R241 VanDerWaalsContact CB-NH1 3.32Å
203L91.7Very high91.8Very high0 Ų028.3 Ų28.30%014%0.141CC..EExtended strand (participates in β ladder)trans-100.2119.9175.9-60.3172.7000110.9A166 V167 F178 W192 A195 D196 E207 F208 A211A166-L203 CarbonylContact C-O 3.41Å; A166-L203 WeakPolarHBondContact CA-O 3.47Å; A166-L203 VanDerWaalsContact CB-O 3.3Å; A166-L203 WeakPolarHBondContact CB-O 3.42Å; V167-L203 PolarHBondContact N-O 3.32Å; V167-L203 PolarHBondContact O-N 3.22Å; F178-L203 HydrophobicContact CE2-CD1 4.13Å; F178-L203 HydrophobicContact CZ-CD1 4.05Å; W192-L203 HydrophobicContact CE3-CD1 3.9Å; W192-L203 HydrophobicContact CE3-CG 4.48Å; W192-L203 HydrophobicContact CH2-CD1 3.68Å; W192-L203 HydrophobicContact CH2-CD2 4.45Å; W192-L203 HydrophobicContact CH2-CG 3.55Å; W192-L203 HydrophobicContact CZ2-CD1 4.32Å; W192-L203 HydrophobicContact CZ2-CD2 4.34Å; W192-L203 HydrophobicContact CZ2-CG 3.87Å; W192-L203 HydrophobicContact CZ3-CD1 3.47Å; W192-L203 VanDerWaalsContact CZ3-CD1 3.47Å; W192-L203 HydrophobicContact CZ3-CG 3.91Å; A195-L203 HydrophobicContact CB-CD2 3.88Å; D196-L203 HydrophobicContact CB-CD2 4.11Å; L203-E207 HydrophobicContact CB-CB 4.26Å; L203-E207 HydrophobicContact CD2-CB 3.84Å; L203-F208 HydrophobicContact CB-CB 4.31Å; L203-A211 HydrophobicContact CD1-CB 4.24Å
204N91.9Very high91.8Very high28 Ų2823.4 Ų23.415%0.1512%0.12CC..  trans-69.7171.8163.7-60.3-69000110.6A166 D206 E207 F208 T238A166-N204 HydrophobicContact CB-CB 4.41Å; A166-N204 VanDerWaalsContact CB-OD1 3.28Å; A166-N204 WeakPolarHBondContact CB-OD1 3.4Å; N204-D206 VanDerWaalsContact C-N 3.32Å; N204-D206 PolarHBondContact O-N 2.83Å; N204-E207 VanDerWaalsContact CB-OE2 3.31Å; N204-E207 WeakPolarHBondContact CB-OE2 3.35Å; N204-E207 PolarHBondContact N-OE2 2.96Å; N204-E207 PolarHBondContact ND2-OE2 3.32Å; N204-E207 PolarHBondContact O-N 3.5Å; N204-F208 WeakPolarHBondContact O-CB 3.45Å; N204-F208 PolarHBondContact O-N 3.48Å; N204-T238 PolarHBondContact ND2-OG1 3.25Å
205L92.1Very high91.8Very high24 Ų2422.6 Ų22.613%0.12612%0.116CC..Hα-helixtrans-53.8-47.5179.6175.563.1000112.1F143 T147 F150 L163 E207 F208 C209F143-L205 HydrophobicContact CZ-CD2 3.97Å; F143-L205 HydrophobicContact CZ-CG 4.4Å; T147-L205 HydrophobicContact CG2-CD1 4.4Å; F150-L205 HydrophobicContact CB-CD1 3.91Å; F150-L205 HydrophobicContact CD1-CB 4.18Å; F150-L205 HydrophobicContact CD1-CD1 3.62Å; F150-L205 HydrophobicContact CD1-CG 4.46Å; F150-L205 HydrophobicContact CE1-CB 3.86Å; F150-L205 HydrophobicContact CE1-CD1 4.2Å; F150-L205 HydrophobicContact CG-CD1 3.81Å; F150-L205 HydrophobicContact CZ-CB 4.18Å; L163-L205 HydrophobicContact CD2-CD1 4.44Å; L163-L205 HydrophobicContact CD2-CD2 4.29Å; L205-E207 PolarHBondContact O-N 3.49Å; L205-F208 PolarHBondContact O-N 2.94Å; L205-C209 WeakPolarHBondContact O-CB 3.26Å; L205-C209 PolarHBondContact O-N 3.22Å; L205-C209 PolarHBondContact O-SG 2.92Å
206D91.2Very high91.8Very high72 Ų7223.9 Ų23.939%0.38512%0.123SC..Hα-helixtrans-65.1-41.7-178.2-57.7-41.6000112N204 C209 V210 P235N204-D206 VanDerWaalsContact C-N 3.32Å; N204-D206 PolarHBondContact O-N 2.83Å; D206-C209 WeakPolarHBondContact O-CB 3.42Å; D206-C209 PolarHBondContact O-N 2.62Å; D206-V210 WeakPolarHBondContact O-CG2 3.37Å; D206-V210 PolarHBondContact O-N 3.08Å; D206-P235 HydrophobicContact CB-CB 3.67Å
207E93.2Very high91.6Very high5 Ų524.9 Ų24.92%0.02313%0.126CC..Hα-helixtrans-67.8-37176.9-66.2166.3147.700111.4A195 N198 L203 N204 L205 V210 A211 P235A195-E207 WeakPolarHBondContact CB-O 3.25Å; A195-E207 WeakPolarHBondContact O-CB 3.35Å; A195-E207 WeakPolarHBondContact O-CG 3.43Å; N198-E207 PolarHBondContact ND2-OE1 3.03Å; N198-E207 PolarHBondContact ND2-OE2 2.87Å; L203-E207 HydrophobicContact CB-CB 4.26Å; L203-E207 HydrophobicContact CD2-CB 3.84Å; N204-E207 VanDerWaalsContact CB-OE2 3.31Å; N204-E207 WeakPolarHBondContact CB-OE2 3.35Å; N204-E207 PolarHBondContact N-OE2 2.96Å; N204-E207 PolarHBondContact ND2-OE2 3.32Å; N204-E207 PolarHBondContact O-N 3.5Å; L205-E207 PolarHBondContact O-N 3.49Å; E207-V210 WeakPolarHBondContact O-CB 3.46Å; E207-V210 PolarHBondContact O-N 3.44Å; E207-A211 PolarHBondContact O-N 3.37Å; E207-P235 HydrophobicContact CG-CB 4.29Å; E207-P235 HydrophobicContact CG-CG 3.65Å
208F93.8Very high91.7Very high0 Ų026.7 Ų26.70%013%0.13CC..Hα-helixtrans-66.9-39.7172.5178.6-92.3000112.2Y146 C149 F150 L153 F177 F178 L203 N204 L205 V210 A211 M212Y146-F208 WeakPolarHBondContact O-CE1 3.4Å; C149-F208 HydrophobicContact CB-CE1 4Å; C149-F208 HydrophobicContact CB-CZ 4.12Å; F150-F208 HydrophobicContact CB-CD1 3.72Å; F150-F208 HydrophobicContact CB-CE1 3.79Å; F150-F208 HydrophobicContact CB-CG 4.4Å; F150-F208 HydrophobicContact CD2-CB 3.57Å; F150-F208 AromaticContact CD2-CD1 3.65Å; F150-F208 HydrophobicContact CD2-CD1 3.65Å; F150-F208 AromaticContact CD2-CD2 3.93Å; F150-F208 HydrophobicContact CD2-CD2 3.93Å; F150-F208 HydrophobicContact CD2-CE1 4.28Å; F150-F208 AromaticContact CD2-CG 3.43Å; F150-F208 HydrophobicContact CD2-CG 3.43Å; F150-F208 VanDerWaalsContact CD2-CG 3.43Å; F150-F208 HydrophobicContact CE2-CB 3.77Å; F150-F208 HydrophobicContact CE2-CG 4.1Å; F150-F208 HydrophobicContact CG-CD1 4.11Å; F150-F208 HydrophobicContact CG-CG 4.33Å; L153-F208 HydrophobicContact CD2-CD2 4.33Å; L153-F208 HydrophobicContact CD2-CE2 3.62Å; L153-F208 HydrophobicContact CD2-CZ 4.33Å; F177-F208 HydrophobicContact CD1-CE2 4.44Å; F177-F208 AromaticContact CE1-CE2 3.93Å; F177-F208 HydrophobicContact CE1-CE2 3.93Å; F177-F208 AromaticContact CE1-CZ 3.66Å; F177-F208 HydrophobicContact CE1-CZ 3.66Å; F177-F208 HydrophobicContact CZ-CZ 4.12Å; F178-F208 HydrophobicContact CE1-CD2 4.31Å; F178-F208 AromaticContact CE1-CE2 3.87Å; F178-F208 HydrophobicContact CE1-CE2 3.87Å; F178-F208 AromaticContact CZ-CD2 3.85Å; F178-F208 HydrophobicContact CZ-CD2 3.85Å; F178-F208 AromaticContact CZ-CE2 3.76Å; F178-F208 HydrophobicContact CZ-CE2 3.76Å; L203-F208 HydrophobicContact CB-CB 4.31Å; N204-F208 WeakPolarHBondContact O-CB 3.45Å; N204-F208 PolarHBondContact O-N 3.48Å; L205-F208 PolarHBondContact O-N 2.94Å; F208-V210 VanDerWaalsContact C-N 3.28Å; F208-V210 PolarHBondContact O-N 3.1Å; F208-A211 PolarHBondContact O-N 2.83Å; F208-M212 HydrophobicContact CE1-CB 4.49Å; F208-M212 HydrophobicContact CE1-CE 4.3Å; F208-M212 HydrophobicContact CE2-CE 4.41Å; F208-M212 HydrophobicContact CZ-CE 3.77Å; F208-M212 WeakPolarHBondContact O-CB 3.45Å; F208-M212 PolarHBondContact O-N 3.03Å
209C92.7Very high91.8Very high3 Ų327.8 Ų27.82%0.0214%0.138CC..Hα-helixtrans-59.5-40.2172.5-75.70000111.4I138 Y146 L205 D206 H213I138-C209 HydrophobicContact CD1-CB 4.12Å; Y146-C209 VanDerWaalsContact CB-SG 3.56Å; Y146-C209 HydrophobicContact CD2-CB 4Å; L205-C209 WeakPolarHBondContact O-CB 3.26Å; L205-C209 PolarHBondContact O-N 3.22Å; L205-C209 PolarHBondContact O-SG 2.92Å; D206-C209 WeakPolarHBondContact O-CB 3.42Å; D206-C209 PolarHBondContact O-N 2.62Å; C209-H213 VanDerWaalsContact O-CB 3.31Å; C209-H213 WeakPolarHBondContact O-CB 2.94Å; C209-H213 PolarHBondContact O-N 3.03Å
210V92.7Very high91.7Very high5 Ų526.1 Ų26.13%0.0313%0.128CC..Hα-helixtrans-62.6-50.6172.4171.30000111.4A195 D206 E207 F208 M212 H213 L214 L229 M233 P235A195-V210 HydrophobicContact CB-CG1 4.31Å; D206-V210 WeakPolarHBondContact O-CG2 3.37Å; D206-V210 PolarHBondContact O-N 3.08Å; E207-V210 WeakPolarHBondContact O-CB 3.46Å; E207-V210 PolarHBondContact O-N 3.44Å; F208-V210 VanDerWaalsContact C-N 3.28Å; F208-V210 PolarHBondContact O-N 3.1Å; V210-M212 VanDerWaalsContact C-N 3.33Å; V210-M212 PolarHBondContact O-N 3.13Å; V210-H213 PolarHBondContact O-N 2.67Å; V210-L214 HydrophobicContact CG1-CD1 4.39Å; V210-L214 WeakPolarHBondContact O-CG 3.38Å; V210-L214 PolarHBondContact O-N 2.97Å; V210-L229 HydrophobicContact CG1-CD1 3.51Å; V210-L229 HydrophobicContact CG1-CD2 4.05Å; V210-L229 HydrophobicContact CG1-CG 4.44Å; V210-M233 HydrophobicContact CB-CE 4.22Å; V210-M233 HydrophobicContact CG1-CE 3.95Å; V210-M233 HydrophobicContact CG2-CE 4.17Å; V210-M233 WeakPolarHBondContact CG2-O 3.38Å; V210-P235 HydrophobicContact CG2-CG 4.46Å
211A93.6Very high91Very high1 Ų126.7 Ų26.71%0.00814%0.139CC..Hα-helixtrans-55.9-47.9177.900000111.8F178 V191 A195 L203 E207 F208 L214 I215F178-A211 HydrophobicContact CE1-CB 4.29Å; F178-A211 HydrophobicContact CZ-CB 4.07Å; V191-A211 HydrophobicContact CG1-CB 3.93Å; V191-A211 WeakPolarHBondContact CG1-O 3.4Å; A195-A211 HydrophobicContact CB-CB 3.67Å; L203-A211 HydrophobicContact CD1-CB 4.24Å; E207-A211 PolarHBondContact O-N 3.37Å; F208-A211 PolarHBondContact O-N 2.83Å; A211-L214 PolarHBondContact O-N 3.11Å; A211-I215 VanDerWaalsContact O-CG1 3.31Å; A211-I215 WeakPolarHBondContact O-CG1 3.36Å; A211-I215 PolarHBondContact O-N 2.83Å; A211-I215 VanDerWaalsContact O-N 3.1Å
212M93.9Very high90.7Very high11 Ų1133 Ų335%0.05417%0.165CC..Hα-helixtrans-66.7-38.2-179.9-17057.268.100112.1Y146 F177 F178 F208 V210 L214 I215 V216Y146-M212 HydrophobicContact CD1-CB 3.9Å; Y146-M212 HydrophobicContact CD1-CG 3.27Å; Y146-M212 HydrophobicContact CD2-CB 4.21Å; Y146-M212 HydrophobicContact CD2-CG 4.44Å; Y146-M212 HydrophobicContact CE1-CB 3.99Å; Y146-M212 HydrophobicContact CE1-CG 3.25Å; Y146-M212 HydrophobicContact CE2-CB 4.28Å; Y146-M212 HydrophobicContact CE2-CG 4.41Å; Y146-M212 HydrophobicContact CG-CB 4.02Å; Y146-M212 HydrophobicContact CG-CG 3.91Å; F177-M212 HydrophobicContact CE1-CE 3.51Å; F177-M212 HydrophobicContact CZ-CE 4.08Å; F178-M212 HydrophobicContact CE1-CE 4.24Å; F208-M212 HydrophobicContact CE1-CB 4.49Å; F208-M212 HydrophobicContact CE1-CE 4.3Å; F208-M212 HydrophobicContact CE2-CE 4.41Å; F208-M212 HydrophobicContact CZ-CE 3.77Å; F208-M212 WeakPolarHBondContact O-CB 3.45Å; F208-M212 PolarHBondContact O-N 3.03Å; V210-M212 VanDerWaalsContact C-N 3.33Å; V210-M212 PolarHBondContact O-N 3.13Å; M212-L214 PolarHBondContact O-N 3.48Å; M212-I215 PolarHBondContact O-N 3.14Å; M212-V216 HydrophobicContact CG-CG2 4.25Å; M212-V216 WeakPolarHBondContact O-CB 3.48Å; M212-V216 WeakPolarHBondContact O-CG2 3.46Å; M212-V216 PolarHBondContact O-N 3.06Å; M212-V216 HydrophobicContact SD-CG2 4.2Å
213H92Very high90.4Very high4 Ų434.9 Ų34.92%0.01917%0.174CC..Hα-helixtrans-63.2-41.8176-164.273.5000112.9S135 F136 V137 I138 L142 Y146 C209 V210 I215 R217 M233S135-H213 PolarHBondContact O-NE2 2.8Å; F136-H213 WeakPolarHBondContact CA-NE2 3.31Å; F136-H213 PolarHBondContact O-NE2 2.86Å; V137-H213 PolarHBondContact O-CE1 3.33Å; I138-H213 HydrophobicContact CD1-CB 4.16Å; I138-H213 HydrophobicContact CG1-CB 4.23Å; L142-H213 WeakPolarHBondContact CD2-CE1 3.47Å; L142-H213 WeakPolarHBondContact CD2-ND1 3.43Å; Y146-H213 HydrophobicContact CE2-CB 3.85Å; Y146-H213 VanDerWaalsContact OH-CA 3.31Å; Y146-H213 WeakPolarHBondContact OH-CA 3.33Å; Y146-H213 PolarHBondContact OH-ND1 3.13Å; C209-H213 VanDerWaalsContact O-CB 3.31Å; C209-H213 WeakPolarHBondContact O-CB 2.94Å; C209-H213 PolarHBondContact O-N 3.03Å; V210-H213 PolarHBondContact O-N 2.67Å; H213-I215 VanDerWaalsContact C-N 3.34Å; H213-I215 PolarHBondContact O-N 2.85Å; H213-R217 VanDerWaalsContact O-CB 3.23Å; H213-R217 WeakPolarHBondContact O-CB 3.46Å; H213-R217 PolarHBondContact O-N 2.92Å; H213-M233 HydrophobicContact CB-CE 3.73Å
214L92.3Very high90.2Very high5 Ų540 Ų403%0.02621%0.208CC..Hα-helixtrans-62.1-42.1174.1-66.2178.2000111.5F136 V191 L194 V210 A211 M212 R218 P226 L229 M233F136-L214 HydrophobicContact CE1-CD2 4.3Å; V191-L214 HydrophobicContact CG1-CB 4.27Å; V191-L214 HydrophobicContact CG1-CD1 4.44Å; V191-L214 HydrophobicContact CG2-CB 4.2Å; L194-L214 HydrophobicContact CB-CD1 3.98Å; L194-L214 HydrophobicContact CD1-CD1 4.14Å; V210-L214 HydrophobicContact CG1-CD1 4.39Å; V210-L214 WeakPolarHBondContact O-CG 3.38Å; V210-L214 PolarHBondContact O-N 2.97Å; A211-L214 PolarHBondContact O-N 3.11Å; M212-L214 PolarHBondContact O-N 3.48Å; L214-R218 VanDerWaalsContact O-CB 3.3Å; L214-R218 WeakPolarHBondContact O-CB 3.3Å; L214-R218 PolarHBondContact O-N 3.42Å; L214-P226 HydrophobicContact CD2-CG 4Å; L214-L229 HydrophobicContact CD1-CD1 4.21Å; L214-M233 HydrophobicContact CD2-SD 4.14Å
215I93.4Very high90.1Very high6 Ų640.1 Ų40.13%0.03121%0.208CC..Hα-helixtrans-64.4-51.9177.2-68.7169.1000111F178 L183 L188 V191 A211 M212 H213 R217 R218 V219F178-I215 HydrophobicContact CB-CD1 4.39Å; F178-I215 HydrophobicContact CD1-CD1 3.28Å; F178-I215 HydrophobicContact CE1-CD1 3.73Å; F178-I215 HydrophobicContact CG-CD1 4.09Å; L183-I215 HydrophobicContact CD1-CB 4.23Å; L183-I215 HydrophobicContact CD1-CG1 4.01Å; L183-I215 HydrophobicContact CD1-CG2 4Å; L188-I215 HydrophobicContact CD2-CD1 4.12Å; L188-I215 HydrophobicContact CD2-CG1 4.37Å; V191-I215 HydrophobicContact CG1-CD1 4.19Å; V191-I215 HydrophobicContact CG1-CG1 4.03Å; V191-I215 HydrophobicContact CG2-CG1 4.24Å; A211-I215 VanDerWaalsContact O-CG1 3.31Å; A211-I215 WeakPolarHBondContact O-CG1 3.36Å; A211-I215 PolarHBondContact O-N 2.83Å; A211-I215 VanDerWaalsContact O-N 3.1Å; M212-I215 PolarHBondContact O-N 3.14Å; H213-I215 VanDerWaalsContact C-N 3.34Å; H213-I215 PolarHBondContact O-N 2.85Å; I215-R217 VanDerWaalsContact C-N 3.3Å; I215-R217 PolarHBondContact O-N 3.18Å; I215-R218 PolarHBondContact O-N 3.31Å; I215-R218 VanDerWaalsContact O-N 3.16Å; I215-V219 HydrophobicContact CG2-CG2 4.27Å; I215-V219 WeakPolarHBondContact O-CG2 3.24Å; I215-V219 PolarHBondContact O-N 2.82Å
216V91.4Very high89.8Confident27 Ų2740.5 Ų40.516%0.16421%0.212CC..Hα-helixtrans-59.9-41.8179.6169.90000110.9L118 Y146 M212 V219 K220L118-V216 HydrophobicContact CD1-CG1 3.95Å; Y146-V216 HydrophobicContact CE1-CG2 4.08Å; M212-V216 HydrophobicContact CG-CG2 4.25Å; M212-V216 WeakPolarHBondContact O-CB 3.48Å; M212-V216 WeakPolarHBondContact O-CG2 3.46Å; M212-V216 PolarHBondContact O-N 3.06Å; M212-V216 HydrophobicContact SD-CG2 4.2Å; V216-V219 PolarHBondContact O-N 3.42Å; V216-K220 VanDerWaalsContact O-CB 3.26Å; V216-K220 WeakPolarHBondContact O-CB 3.49Å; V216-K220 PolarHBondContact O-N 3.34Å
217R89.4Confident89.5Confident30 Ų3042.9 Ų42.911%0.11324%0.235CC..Hα-helixtrans-66.4-37.6177.3-172.2169.4172.2-179.3-11.4112.3S135 F136 H213 I215 G221 H222 F223S135-R217 VanDerWaalsContact CB-NH1 3.3Å; S135-R217 PolarHBondContact O-NH1 3.3Å; S135-R217 PolarHBondContact OG-NE 2.86Å; S135-R217 PolarHBondContact OG-NH1 3.06Å; S135-R217 PolarHBondContact OG-NH2 2.68Å; F136-R217 VanDerWaalsContact CE2-NH1 3.29Å; F136-R217 VanDerWaalsContact CG-NH1 3.28Å; H213-R217 VanDerWaalsContact O-CB 3.23Å; H213-R217 WeakPolarHBondContact O-CB 3.46Å; H213-R217 PolarHBondContact O-N 2.92Å; I215-R217 VanDerWaalsContact C-N 3.3Å; I215-R217 PolarHBondContact O-N 3.18Å; R217-G221 WeakPolarHBondContact O-CA 3.34Å; R217-G221 PolarHBondContact O-N 3.02Å; R217-G221 VanDerWaalsContact O-N 3.09Å; R217-H222 PolarHBondContact O-N 3.35Å; R217-F223 HydrophobicContact CG-CB 4.04Å; R217-F223 HydrophobicContact CG-CD2 3.52Å; R217-F223 HydrophobicContact CG-CE2 4.33Å; R217-F223 HydrophobicContact CG-CG 4.06Å
218R89.6Confident89.1Confident66 Ų6646.7 Ų46.725%0.24926%0.261CS..Hα-helixtrans-68.6-40.7174.8-179.460.4177.4143.40.6112.8L183 E187 L214 I215 H222 F223 I225L183-R218 HydrophobicContact CD1-CB 4.1Å; L183-R218 HydrophobicContact CD1-CG 3.88Å; L183-R218 HydrophobicContact CD2-CB 4.33Å; L183-R218 HydrophobicContact CD2-CG 3.52Å; L183-R218 HydrophobicContact CG-CG 4.38Å; E187-R218 IonicContact OE1-CZ 2.67Å; E187-R218 IonicContact OE1-NE 3.29Å; E187-R218 PolarHBondContact OE1-NE 3.11Å; E187-R218 IonicContact OE1-NH2 3.6Å; E187-R218 PolarHBondContact OE1-NH2 2.97Å; E187-R218 WeakPolarHBondContact OE2-CG 3.46Å; E187-R218 IonicContact OE2-CZ 2.75Å; E187-R218 IonicContact OE2-NE 2.89Å; E187-R218 PolarHBondContact OE2-NE 3.32Å; E187-R218 IonicContact OE2-NH2 3.94Å; L214-R218 VanDerWaalsContact O-CB 3.3Å; L214-R218 WeakPolarHBondContact O-CB 3.3Å; L214-R218 PolarHBondContact O-N 3.42Å; I215-R218 PolarHBondContact O-N 3.31Å; I215-R218 VanDerWaalsContact O-N 3.16Å; R218-H222 PolarHBondContact NH1-O 3.43Å; R218-H222 VanDerWaalsContact O-CA 3.24Å; R218-H222 WeakPolarHBondContact O-CA 3.26Å; R218-H222 PolarHBondContact O-N 3.43Å; R218-F223 WeakPolarHBondContact CD-O 3.44Å; R218-I225 HydrophobicContact CB-CG1 4.27Å; R218-I225 HydrophobicContact CG-CD1 4.25Å; R218-I225 HydrophobicContact CG-CG1 4.17Å
219V90.4Very high88.6Confident49 Ų4948 Ų4830%0.29727%0.268SS..Hα-helixtrans-76.5-50.4-179174.50000111.8S181 L183 I215 V216S181-V219 WeakPolarHBondContact O-CG2 3.31Å; L183-V219 HydrophobicContact CD1-CG2 4.34Å; L183-V219 HydrophobicContact CD2-CG2 3.72Å; L183-V219 HydrophobicContact CG-CG2 3.95Å; I215-V219 HydrophobicContact CG2-CG2 4.27Å; I215-V219 WeakPolarHBondContact O-CG2 3.24Å; I215-V219 PolarHBondContact O-N 2.82Å; V216-V219 PolarHBondContact O-N 3.42Å
220K86.3Confident87.9Confident129 Ų12949.1 Ų49.156%0.56128%0.276SS*.Hα-helixtrans-81.6-36.7-173.6-176.5176175.1-1790113.7L118 V216L118-K220 HydrophobicContact CD1-CD 4.47Å; V216-K220 VanDerWaalsContact O-CB 3.26Å; V216-K220 WeakPolarHBondContact O-CB 3.49Å; V216-K220 PolarHBondContact O-N 3.34Å
221G78Confident86.9Confident34 Ų3453.3 Ų53.335%0.35131%0.311SS..Hα-helixtrans-107.7-0.5-17600000114.6R217 F223R217-G221 WeakPolarHBondContact O-CA 3.34Å; R217-G221 PolarHBondContact O-N 3.02Å; R217-G221 VanDerWaalsContact O-N 3.09Å; G221-F223 WeakPolarHBondContact O-CD2 3.38Å; G221-F223 PolarHBondContact O-N 2.89Å
222H84Confident85.8Confident145 Ų14556.3 Ų56.367%0.67133%0.332SS*.  trans54.27.7-174.8-60.4-52.4000116.3R217 R218R217-H222 PolarHBondContact O-N 3.35Å; R218-H222 PolarHBondContact NH1-O 3.43Å; R218-H222 VanDerWaalsContact O-CA 3.24Å; R218-H222 WeakPolarHBondContact O-CA 3.26Å; R218-H222 PolarHBondContact O-N 3.43Å
223F85.4Confident84.9Confident88 Ų8856.3 Ų56.339%0.38633%0.332SS..PPolyproline II helixtrans-56.5142178.8-67.1-79.4000111.5R217 R218 G221R217-F223 HydrophobicContact CG-CB 4.04Å; R217-F223 HydrophobicContact CG-CD2 3.52Å; R217-F223 HydrophobicContact CG-CE2 4.33Å; R217-F223 HydrophobicContact CG-CG 4.06Å; R218-F223 WeakPolarHBondContact CD-O 3.44Å; G221-F223 WeakPolarHBondContact O-CD2 3.38Å; G221-F223 PolarHBondContact O-N 2.89Å
224P87.6Confident84.2Confident108 Ų10859.2 Ų59.270%0.70135%0.35SS*.PPolyproline II helixtrans-63.9142.5172.928.3-34.3000110.5
225I88.3Confident83.2Confident30 Ų3059.6 Ų59.615%0.15435%0.353CS..PPolyproline II helixtrans-64.3125.8170.2-65156.5000107.6E187 K190 V191 L194 R218E187-I225 HydrophobicContact CB-CD1 3.59Å; E187-I225 HydrophobicContact CG-CD1 3.92Å; K190-I225 HydrophobicContact CB-CG2 4.43Å; V191-I225 HydrophobicContact CG2-CD1 3.81Å; V191-I225 HydrophobicContact CG2-CG1 4.2Å; V191-I225 HydrophobicContact CG2-CG2 4.31Å; L194-I225 HydrophobicContact CD1-CG2 3.51Å; R218-I225 HydrophobicContact CB-CG1 4.27Å; R218-I225 HydrophobicContact CG-CD1 4.25Å; R218-I225 HydrophobicContact CG-CG1 4.17Å
226P86.9Confident81.8Confident32 Ų3263.4 Ų63.421%0.20839%0.385CS..PPolyproline II helixtrans-65.9148.8-176.629-35.9000111.1F136 L194 L214 S228F136-P226 HydrophobicContact CE1-CG 4.43Å; F136-P226 HydrophobicContact CZ-CG 4.34Å; L194-P226 WeakPolarHBondContact CD1-O 3.45Å; L214-P226 HydrophobicContact CD2-CG 4Å; P226-S228 VanDerWaalsContact C-N 3.31Å; P226-S228 PolarHBondContact O-N 3.14Å
227S84.5Confident80.4Confident123 Ų12370.9 Ų70.986%0.8641%0.41SS*.SBendtrans-74-21.417949.20000113.8
228S84.6Confident79.1Confident84 Ų8471.9 Ų71.959%0.58742%0.419SS*.SBendtrans-138.2143.9173.557.40000109.7P226P226-S228 VanDerWaalsContact C-N 3.31Å; P226-S228 PolarHBondContact O-N 3.14Å
229L83.2Confident77.7Confident28 Ų2874 Ų7415%0.14744%0.442CS..  trans-66.4128180-165.473.1000110.3L194 V197 V210 L214 M233 V234L194-L229 HydrophobicContact CB-CD1 4.45Å; V197-L229 HydrophobicContact CG2-CD2 3.97Å; V210-L229 HydrophobicContact CG1-CD1 3.51Å; V210-L229 HydrophobicContact CG1-CD2 4.05Å; V210-L229 HydrophobicContact CG1-CG 4.44Å; L214-L229 HydrophobicContact CD1-CD1 4.21Å; L229-M233 HydrophobicContact CD1-CB 3.98Å; L229-M233 HydrophobicContact CD1-SD 4.18Å; L229-M233 HydrophobicContact CD2-CB 4.19Å; L229-M233 HydrophobicContact CG-CB 3.93Å; L229-V234 HydrophobicContact CD2-CB 4.48Å; L229-V234 HydrophobicContact CD2-CG2 4.08Å
230P78.2Confident76.3Confident26 Ų2675.8 Ų75.817%0.16946%0.455CS..  trans-60.1144.7175.5-20.731000111.6F136 S232 M233 V234F136-P230 HydrophobicContact CD1-CG 3.95Å; F136-P230 HydrophobicContact CD2-CB 3.96Å; F136-P230 HydrophobicContact CD2-CG 3.52Å; F136-P230 HydrophobicContact CE1-CG 3.78Å; F136-P230 HydrophobicContact CE2-CB 4.2Å; F136-P230 HydrophobicContact CE2-CG 3.38Å; F136-P230 HydrophobicContact CG-CB 4.3Å; F136-P230 HydrophobicContact CG-CG 3.82Å; F136-P230 HydrophobicContact CZ-CG 3.5Å; F136-P230 VanDerWaalsContact CZ-CG 3.5Å; P230-S232 PolarHBondContact O-N 2.91Å; P230-S232 VanDerWaalsContact O-N 3.14Å; P230-M233 PolarHBondContact O-N 3.44Å; P230-V234 PolarHBondContact O-N 3.4Å
231A72.2Confident75.1Confident94 Ų9473.4 Ų73.478%0.77744%0.442SS*.G310 helixtrans-58.1-31.5-17700000113.4M233 V234A231-M233 VanDerWaalsContact C-N 3.29Å; A231-M233 PolarHBondContact O-N 2.83Å; A231-V234 PolarHBondContact O-N 3.26Å
232S69.6Low73.7Confident64 Ų6479.3 Ų79.345%0.44847%0.465SS..G310 helixtrans-68.3-20.4175.4440000114.6D133 P230D133-S232 WeakPolarHBondContact OD1-CB 3.29Å; D133-S232 PolarHBondContact OD1-OG 3.17Å; P230-S232 PolarHBondContact O-N 2.91Å; P230-S232 VanDerWaalsContact O-N 3.14Å
233M76Confident72.3Confident11 Ų1176.1 Ų76.15%0.05446%0.456CS..G310 helixtrans-98-11.2176.8-68.3-158.979.800114.3F136 I138 V210 H213 L214 L229 P230 A231 P235F136-M233 HydrophobicContact CB-CG 3.68Å; F136-M233 HydrophobicContact CB-SD 4.1Å; F136-M233 HydrophobicContact CD1-CG 3.98Å; F136-M233 HydrophobicContact CD1-SD 3.28Å; F136-M233 WeakPolarHBondContact CD1-SD 3.46Å; F136-M233 HydrophobicContact CE1-SD 3.98Å; F136-M233 HydrophobicContact CG-CG 4.08Å; F136-M233 HydrophobicContact CG-SD 4Å; I138-M233 HydrophobicContact CD1-CE 4.39Å; V210-M233 HydrophobicContact CB-CE 4.22Å; V210-M233 HydrophobicContact CG1-CE 3.95Å; V210-M233 HydrophobicContact CG2-CE 4.17Å; V210-M233 WeakPolarHBondContact CG2-O 3.38Å; H213-M233 HydrophobicContact CB-CE 3.73Å; L214-M233 HydrophobicContact CD2-SD 4.14Å; L229-M233 HydrophobicContact CD1-CB 3.98Å; L229-M233 HydrophobicContact CD1-SD 4.18Å; L229-M233 HydrophobicContact CD2-CB 4.19Å; L229-M233 HydrophobicContact CG-CB 3.93Å; P230-M233 PolarHBondContact O-N 3.44Å; A231-M233 VanDerWaalsContact C-N 3.29Å; A231-M233 PolarHBondContact O-N 2.83Å; M233-P235 WeakPolarHBondContact O-CD 3.36Å
234V76.2Confident70.2Confident64 Ų6477.6 Ų77.639%0.38847%0.472SS..  trans-63.9113.1-174-178.90000108.9V197 L229 P230 A231V197-V234 HydrophobicContact CG1-CG1 4.23Å; L229-V234 HydrophobicContact CD2-CB 4.48Å; L229-V234 HydrophobicContact CD2-CG2 4.08Å; P230-V234 PolarHBondContact O-N 3.4Å; A231-V234 PolarHBondContact O-N 3.26Å
235P71.1Confident68.1Low14 Ų1478.2 Ų78.29%0.09148%0.477CS..  trans-66.4152.4179.328.9-30.6000108.9V197 D206 E207 V210 M233 R237V197-P235 HydrophobicContact CB-CG 4.46Å; V197-P235 HydrophobicContact CG2-CG 4.24Å; D206-P235 HydrophobicContact CB-CB 3.67Å; E207-P235 HydrophobicContact CG-CB 4.29Å; E207-P235 HydrophobicContact CG-CG 3.65Å; V210-P235 HydrophobicContact CG2-CG 4.46Å; M233-P235 WeakPolarHBondContact O-CD 3.36Å; P235-R237 PolarHBondContact O-N 2.77Å
236A65.1Low65.8Low85 Ų8584.5 Ų84.570%0.70251%0.51SS*.  trans-58.2114.4177.400000108.8T238A236-T238 PolarHBondContact O-N 3.06Å
237R61.4Low63.6Low184 Ų18486.4 Ų86.469%0.69453%0.528SS*.  trans-56.5101.6-175.1-72.2-179.5177.7-92.4-1.2110V197 P235V197-R237 HydrophobicContact CG1-CG 4.23Å; V197-R237 PolarHBondContact O-NH1 2.86Å; P235-R237 PolarHBondContact O-N 2.77Å
238T61.9Low61.5Low51 Ų5190.5 Ų90.531%0.31353%0.53SS..PPolyproline II helixtrans-63142.4165.648.50000107.9N204 A236N204-T238 PolarHBondContact ND2-OG1 3.25Å; A236-T238 PolarHBondContact O-N 3.06Å
239P60.2Low59.4Low110 Ų11092.3 Ų92.371%0.71453%0.533SS*.PPolyproline II helixtrans-60.1132.4172.925.6-32.6000108R241P239-R241 PolarHBondContact O-N 3.32Å
240P61.3Low57.2Low88 Ų8896.9 Ų96.957%0.57157%0.565SS**PPolyproline II helixtrans-55.8131.4-17723.6-34000108.6D200 N242D200-P240 HydrophobicContact CB-CB 4.47Å; P240-N242 PolarHBondContact O-N 3.19Å
241R61.1Low55.1Low79 Ų79101 Ų10130%0.29858%0.582SS.*PPolyproline II helixtrans-57.7129.8179.6-81.5167.2-70.4-149.3-41.6108.3D200 Y202 P239 V243D200-R241 IonicContact OD1-CZ 3.59Å; D200-R241 IonicContact OD1-NE 3.48Å; D200-R241 IonicContact OD1-NH2 2.73Å; D200-R241 PolarHBondContact OD1-NH2 3.45Å; D200-R241 VanDerWaalsContact OD1-NH2 3.12Å; D200-R241 IonicContact OD2-CZ 3.63Å; D200-R241 PolarHBondContact OD2-N 3.31Å; D200-R241 IonicContact OD2-NE 2.78Å; D200-R241 PolarHBondContact OD2-NE 3.02Å; D200-R241 IonicContact OD2-NH2 3.12Å; D200-R241 PolarHBondContact OD2-NH2 3.32Å; Y202-R241 VanDerWaalsContact CB-CZ 3.44Å; Y202-R241 VanDerWaalsContact CB-NH1 3.32Å; P239-R241 PolarHBondContact O-N 3.32Å; R241-V243 PolarHBondContact O-N 3.31Å
242N49.1Very low53.9Low157 Ų157101.5 Ų101.584%0.8457%0.568SS**  trans-75.758.8179.2-166.411.3000110.8P240P240-N242 PolarHBondContact O-N 3.19Å
243V54.2Low52.6Low78 Ų78104.2 Ų104.247%0.47357%0.573SS.*  trans-73.5126.1153.7-66.60000106R241R241-V243 PolarHBondContact O-N 3.31Å
244T42.5Very low51.5Low119 Ų119106.4 Ų106.473%0.7358%0.581SS**  trans-45.9130.6-179.9-48.90000109.8L246T244-L246 PolarHBondContact O-N 3.4Å
245P41.5Very low50.4Low122 Ų122105.3 Ų105.379%0.79258%0.575SS**  trans-65.988.2176.526.3-33.6000109.3A247P245-A247 PolarHBondContact O-N 2.99Å; P245-A247 VanDerWaalsContact O-N 3.14Å
246L40.5Very low48.9Very low162 Ų162108.9 Ų108.985%0.84859%0.59SS**  trans-66110168.8179.265.1000106T244T244-L246 PolarHBondContact O-N 3.4Å
247A40.5Very low47.5Very low71 Ų71107.8 Ų107.859%0.58757%0.569SS**  trans18.6119.8171.100000117.2P245 D249P245-A247 PolarHBondContact O-N 2.99Å; P245-A247 VanDerWaalsContact O-N 3.14Å; A247-D249 PolarHBondContact O-N 2.91Å; A247-D249 VanDerWaalsContact O-N 3.14Å
248K41.4Very low46.4Very low209 Ų209104.3 Ų104.391%0.90956%0.564SS**SBendtrans-50.6123.2156.6-62.5177.4179.3-176.10107.8
249D39.1Very low45Very low122 Ų122107.9 Ų107.965%0.65259%0.586SS**  trans67.1134.7-167.9-62.2-57.4000116A247 E251A247-D249 PolarHBondContact O-N 2.91Å; A247-D249 VanDerWaalsContact O-N 3.14Å; D249-E251 PolarHBondContact OD1-N 3.1Å
250P38.7Very low44Very low124 Ų124113.2 Ų113.281%0.80559%0.594SS**SBendcis-92131.520.234.6-33.4000114.1
251E33.7Very low43Very low114 Ų114117 Ų11753%0.53360%0.604SS.*  trans17.7134.8148.7-58.9-173.5144.700119.3D249 H253D249-E251 PolarHBondContact OD1-N 3.1Å; E251-H253 PolarHBondContact O-N 2.83Å
252Q46.8Very low41.6Very low103 Ų103121 Ų12148%0.48163%0.631SS.*  trans-54.380.1159.2-65.5171.6-1900110.6W254 T255 H256Q252-W254 PolarHBondContact O-N 3.24Å; Q252-W254 VanDerWaalsContact O-N 3.07Å; Q252-T255 HydrophobicContact CB-CG2 3.82Å; Q252-T255 VanDerWaalsContact CB-OG1 3.26Å; Q252-T255 WeakPolarHBondContact CB-OG1 3.47Å; Q252-T255 WeakPolarHBondContact O-CA 3.46Å; Q252-T255 WeakPolarHBondContact O-CB 3.13Å; Q252-T255 PolarHBondContact O-N 3.35Å; Q252-T255 PolarHBondContact O-OG1 2.86Å; Q252-T255 PolarHBondContact OE1-OG1 3.43Å; Q252-H256 PolarHBondContact O-N 3.16Å
253H42.3Very low41Very low122 Ų122117.5 Ų117.557%0.56562%0.624SS**THydrogen-bonded Turntrans-64.9-18-171.759.4-89000113.6E251 T255E251-H253 PolarHBondContact O-N 2.83Å; H253-T255 PolarHBondContact O-N 3.49Å
254W52.1Low40.2Very low56 Ų56119.9 Ų119.921%0.21264%0.639CS.*THydrogen-bonded Turntrans-76.84.8169-5475000113.3Q170 P172 F175 Q252 F257Q170-W254 VanDerWaalsContact C-CZ2 3.45Å; Q170-W254 HydrophobicContact CB-CZ2 4.39Å; Q170-W254 WeakPolarHBondContact O-CZ2 3.4Å; P172-W254 HydrophobicContact CB-CH2 4.06Å; F175-W254 HydrophobicContact CB-CE3 3.66Å; F175-W254 HydrophobicContact CB-CZ3 3.51Å; F175-W254 HydrophobicContact CD2-CE3 4.11Å; F175-W254 AromaticContact CG-CE3 3.97Å; F175-W254 HydrophobicContact CG-CE3 3.97Å; F175-W254 HydrophobicContact CG-CZ3 4.17Å; Q252-W254 PolarHBondContact O-N 3.24Å; Q252-W254 VanDerWaalsContact O-N 3.07Å; W254-F257 VanDerWaalsContact C-CE2 3.45Å; W254-F257 WeakPolarHBondContact O-CE2 3.35Å; W254-F257 WeakPolarHBondContact O-CZ 3.31Å
255T53.5Low39.9Very low42 Ų42122.2 Ų122.226%0.25865%0.646SS.*THydrogen-bonded Turntrans-131.3-5.6179.7790000112.9K193 Q252 H253K193-T255 PolarHBondContact NZ-OG1 2.78Å; Q252-T255 HydrophobicContact CB-CG2 3.82Å; Q252-T255 VanDerWaalsContact CB-OG1 3.26Å; Q252-T255 WeakPolarHBondContact CB-OG1 3.47Å; Q252-T255 WeakPolarHBondContact O-CA 3.46Å; Q252-T255 WeakPolarHBondContact O-CB 3.13Å; Q252-T255 PolarHBondContact O-N 3.35Å; Q252-T255 PolarHBondContact O-OG1 2.86Å; Q252-T255 PolarHBondContact OE1-OG1 3.43Å; H253-T255 PolarHBondContact O-N 3.49Å
256H40.9Very low39.6Very low89 Ų89124.9 Ų124.941%0.41265%0.652SS.*  trans-111.770.2176.8-170.9-97.5000110.1Q252 N258Q252-H256 PolarHBondContact O-N 3.16Å; H256-N258 VanDerWaalsContact C-N 3.29Å; H256-N258 PolarHBondContact CE1-ND2 2.84Å; H256-N258 PolarHBondContact O-N 3.37Å; H256-N258 VanDerWaalsContact O-N 3.12Å
257F34.5Very low39.3Very low61 Ų61121 Ų12127%0.26864%0.644SS.*  trans-85.871.1175.9-60.9-61.3000110.8F175 R185 W254 V259F175-F257 HydrophobicContact CE2-CE2 4.23Å; F175-F257 HydrophobicContact CE2-CZ 4.22Å; F175-F257 HydrophobicContact CZ-CE2 4.24Å; F175-F257 HydrophobicContact CZ-CZ 4.23Å; R185-F257 HydrophobicContact CB-CD2 4.29Å; R185-F257 HydrophobicContact CG-CB 4.22Å; R185-F257 HydrophobicContact CG-CD1 4.23Å; R185-F257 HydrophobicContact CG-CD2 3.13Å; R185-F257 HydrophobicContact CG-CE1 4.48Å; R185-F257 HydrophobicContact CG-CE2 3.37Å; R185-F257 HydrophobicContact CG-CG 3.59Å; R185-F257 HydrophobicContact CG-CZ 4.07Å; R185-F257 VanDerWaalsContact NH1-CZ 3.33Å; W254-F257 VanDerWaalsContact C-CE2 3.45Å; W254-F257 WeakPolarHBondContact O-CE2 3.35Å; W254-F257 WeakPolarHBondContact O-CZ 3.31Å; F257-V259 PolarHBondContact O-N 3.36Å
258N38.9Very low38.8Very low111 Ų111123.6 Ų123.659%0.59465%0.652SS**  trans-65.2121.7167.6-901.8000109.8H256 Y260H256-N258 VanDerWaalsContact C-N 3.29Å; H256-N258 PolarHBondContact CE1-ND2 2.84Å; H256-N258 PolarHBondContact O-N 3.37Å; H256-N258 VanDerWaalsContact O-N 3.12Å; N258-Y260 PolarHBondContact O-N 2.73Å
259V32.7Very low38.5Very low126 Ų126120.9 Ų120.976%0.76465%0.648SS**  trans-55104.2163.5178.50000107.6F257 E261F257-V259 PolarHBondContact O-N 3.36Å; V259-E261 HydrophobicContact CG1-CG 4.03Å
260Y37.9Very low38.3Very low223 Ų223122.2 Ų122.288%0.87566%0.655SS**  trans-89.6107.9159.6-114.4-86.7000107.2N258N258-Y260 PolarHBondContact O-N 2.73Å
261E40.3Very low38Very low167 Ų167124.9 Ų124.978%0.7866%0.657SS**  trans-62.9138.6179.4-64.3-179.3133.600111.2V259 A263V259-E261 HydrophobicContact CG1-CG 4.03Å; E261-A263 PolarHBondContact O-N 3.38Å
262D32.2Very low38.2Very low162 Ų162128 Ų12887%0.86667%0.669SS**  trans4.5104.3150.3-169.617.9000117.8
263A37.1Very low37.8Very low85 Ų85129.8 Ų129.870%0.70268%0.677SS**  trans-159.8116.1143.900000112.8E261E261-A263 PolarHBondContact O-N 3.38Å
264T36.6Very low37.2Very low128 Ų128131.2 Ų131.279%0.78569%0.689SS**  trans69.786.6148.5-41.80000118.2
265L36.5Very low36.6Very low167 Ų167132.5 Ų132.587%0.87471%0.707SS**  -15390.7125-112.7179.1000111.9A267L265-A267 PolarHBondContact O-N 3.31Å
266L35.1Very low36.1Very low178 Ų178136.1 Ų136.193%0.93273%0.731SS**  trans-79.3108.1164.6-73.1171.4000109.4
267A34.1Very low35.9Very low80 Ų80136 Ų13666%0.66173%0.733SS**  trans-158.293.6162.100000111.9L265L265-A267 PolarHBondContact O-N 3.31Å
268T31Very low36.2Very low126 Ų126140.2 Ų140.277%0.77375%0.751SS**  trans4.4120.4146.855.40000118.7
269N35.1Very low36.2Very low153 Ų153138.8 Ų138.882%0.81874%0.743SS**  trans175.5115.7130.3-78.8-27.3000106.1
270D33.6Very low36.3Very low149 Ų149134.5 Ų134.580%0.79771%0.714SS**  70.897.167.7-145.3-111.8000112.2
271E33.8Very low36.3Very low181 Ų181125.3 Ų125.385%0.84668%0.682SS**  trans43.893.4151.5-152.6158102.100119.7
272F38Very low36.3Very low178 Ų178120.9 Ų120.978%0.78166%0.664SS**  trans-149.4103.4154-149.1-101.8000115.4
273Q38Very low36.9Very low142 Ų142117.7 Ų117.766%0.66465%0.654SS**  trans61.6139.8142.6-60.7-161.7-2900123.5
274D29.9Very low37.2Very low151 Ų151116.2 Ų116.281%0.80763%0.634SS**  trans-43.3153.2173.8-58.5-77.8000116.2
275S38.6Very low37.3Very low83 Ų83114.6 Ų114.658%0.5862%0.618SS**  trans-145.4128.1176.4-72.50000110.4L277S275-L277 PolarHBondContact O-N 3.35Å
276P42.9Very low37.4Very low119 Ų119112.3 Ų112.377%0.77361%0.607SS**THydrogen-bonded Turntrans-76.449.2-175.633.8-38.3000112.4
277L36.8Very low37.5Very low87 Ų87109.8 Ų109.846%0.45560%0.599SS.*THydrogen-bonded Turntrans-114.9-20.4-176.3-144.271.9000111.9S275 D279 T281S275-L277 PolarHBondContact O-N 3.35Å; L277-D279 VanDerWaalsContact C-N 3.33Å; L277-T281 PolarHBondContact O-OG1 2.95Å
278K41.2Very low37.6Very low149 Ų149110 Ų11065%0.64860%0.6SS**Hα-helixtrans-69.4-32176.7-73.7175.4179.1169.10111.8F280 T281 N282K278-F280 PolarHBondContact O-N 3.36Å; K278-T281 VanDerWaalsContact C-OG1 3.32Å; K278-T281 WeakPolarHBondContact CA-OG1 3.38Å; K278-T281 PolarHBondContact O-N 2.97Å; K278-T281 PolarHBondContact O-OG1 2.91Å; K278-N282 PolarHBondContact O-N 3.39Å; K278-N282 PolarHBondContact O-ND2 2.94Å; K278-N282 PolarHBondContact O-OD1 2.87Å
279D38.2Very low37.7Very low80 Ų80113.1 Ų113.143%0.42861%0.606SS.*Hα-helixtrans-70.3-37.1-173.5-41.7-57.7000111L277 N282 S283L277-D279 VanDerWaalsContact C-N 3.33Å; D279-N282 PolarHBondContact O-N 3.25Å; D279-S283 WeakPolarHBondContact O-CB 3.21Å; D279-S283 PolarHBondContact O-N 3.08Å
280F35.7Very low37.7Very low36 Ų36115.8 Ų115.816%0.15861%0.611CS.*Hα-helixtrans-65-38.4171.7-176.3-87.6000112.8F177 K180 K278 S283 L284F177-F280 HydrophobicContact CD2-CE1 4.29Å; F177-F280 HydrophobicContact CD2-CE2 4.23Å; F177-F280 AromaticContact CD2-CZ 3.7Å; F177-F280 HydrophobicContact CD2-CZ 3.7Å; F177-F280 HydrophobicContact CE2-CE1 4.23Å; F177-F280 AromaticContact CE2-CE2 3.64Å; F177-F280 HydrophobicContact CE2-CE2 3.64Å; F177-F280 AromaticContact CE2-CZ 3.24Å; F177-F280 HydrophobicContact CE2-CZ 3.24Å; F177-F280 HydrophobicContact CZ-CE2 4.4Å; F177-F280 AromaticContact CZ-CZ 3.77Å; F177-F280 HydrophobicContact CZ-CZ 3.77Å; K180-F280 HydrophobicContact CB-CD1 3.84Å; K180-F280 HydrophobicContact CB-CE1 3.82Å; K180-F280 HydrophobicContact CD-CD1 3.33Å; K180-F280 HydrophobicContact CD-CE1 3.7Å; K180-F280 HydrophobicContact CD-CG 4.23Å; K180-F280 HydrophobicContact CG-CD1 4.11Å; K180-F280 HydrophobicContact CG-CE1 4.38Å; K278-F280 PolarHBondContact O-N 3.36Å; F280-S283 WeakPolarHBondContact O-CB 3.31Å; F280-S283 PolarHBondContact O-N 3.41Å; F280-L284 HydrophobicContact CD1-CD1 3.94Å; F280-L284 HydrophobicContact CE1-CD1 3.34Å; F280-L284 HydrophobicContact CE1-CG 4.4Å; F280-L284 HydrophobicContact CZ-CD1 3.9Å; F280-L284 PolarHBondContact O-N 2.74Å
281T38.6Very low37.6Very low31 Ų31114.9 Ų114.919%0.1961%0.611CS.*Hα-helixtrans-71.2-36.617535.90000112.4K180 L277 K278 S283 L284 M285K180-T281 HydrophobicContact CB-CG2 3.66Å; K180-T281 HydrophobicContact CG-CG2 3.83Å; L277-T281 PolarHBondContact O-OG1 2.95Å; K278-T281 VanDerWaalsContact C-OG1 3.32Å; K278-T281 WeakPolarHBondContact CA-OG1 3.38Å; K278-T281 PolarHBondContact O-N 2.97Å; K278-T281 PolarHBondContact O-OG1 2.91Å; T281-S283 VanDerWaalsContact C-N 3.28Å; T281-S283 PolarHBondContact O-N 3.35Å; T281-L284 PolarHBondContact O-N 2.9Å; T281-M285 PolarHBondContact O-N 3.43Å; T281-M285 VanDerWaalsContact O-N 3.16Å
282N39.5Very low37.8Very low74 Ų74115.5 Ų115.540%0.39661%0.61SS.*Hα-helixtrans-62.5-40.7172.9-65.9-19.2000110.2K278 D279 L284 M285 L286K278-N282 PolarHBondContact O-N 3.39Å; K278-N282 PolarHBondContact O-ND2 2.94Å; K278-N282 PolarHBondContact O-OD1 2.87Å; D279-N282 PolarHBondContact O-N 3.25Å; N282-L284 PolarHBondContact O-N 3.35Å; N282-M285 PolarHBondContact O-N 3.35Å; N282-L286 HydrophobicContact CB-CD1 4.08Å; N282-L286 PolarHBondContact O-N 2.92Å; N282-L286 WeakPolarHBondContact OD1-CD1 3.4Å
283S43.7Very low37.7Very low95 Ų95112.3 Ų112.366%0.66461%0.606SS**Hα-helixtrans-64.7-11.4173-174.40000115.1D279 F280 T281D279-S283 WeakPolarHBondContact O-CB 3.21Å; D279-S283 PolarHBondContact O-N 3.08Å; F280-S283 WeakPolarHBondContact O-CB 3.31Å; F280-S283 PolarHBondContact O-N 3.41Å; T281-S283 VanDerWaalsContact C-N 3.28Å; T281-S283 PolarHBondContact O-N 3.35Å
284L44.8Very low37.7Very low54 Ų54112.8 Ų112.828%0.28361%0.611SS.*Hα-helixtrans-107.1-9.1175.1-84.4169.7000113.7K180 F280 T281 N282K180-L284 HydrophobicContact CB-CD1 4.49Å; F280-L284 HydrophobicContact CD1-CD1 3.94Å; F280-L284 HydrophobicContact CE1-CD1 3.34Å; F280-L284 HydrophobicContact CE1-CG 4.4Å; F280-L284 HydrophobicContact CZ-CD1 3.9Å; F280-L284 PolarHBondContact O-N 2.74Å; T281-L284 PolarHBondContact O-N 2.9Å; N282-L284 PolarHBondContact O-N 3.35Å
285M39.3Very low37.9Very low93 Ų93109.5 Ų109.546%0.45861%0.605SS.*Hα-helixtrans-141.4-10.6-169.6-89.4-175.355.200117.3Q182 T281 N282Q182-M285 HydrophobicContact CB-SD 4.35Å; Q182-M285 HydrophobicContact CG-SD 3.63Å; Q182-M285 PolarHBondContact NE2-SD 3.2Å; T281-M285 PolarHBondContact O-N 3.43Å; T281-M285 VanDerWaalsContact O-N 3.16Å; N282-M285 PolarHBondContact O-N 3.35Å
286L36.7Very low37.6Very low120 Ų120109.3 Ų109.363%0.62860%0.603SS**  trans-121.970.2-173-68.7174.8000113.2N282N282-L286 HydrophobicContact CB-CD1 4.08Å; N282-L286 PolarHBondContact O-N 2.92Å; N282-L286 WeakPolarHBondContact OD1-CD1 3.4Å
287T37.3Very low37.3Very low124 Ų124107.4 Ų107.476%0.76159%0.591SS**  trans-130.444.9156.767.80000111.6T111T111-T287 HydrophobicContact CG2-CG2 4.27Å
288A36.5Very low37.1Very low85 Ų85111 Ų11170%0.70261%0.609SS**  trans-91.5141155.900000108.7
289E34Very low36.6Very low192 Ų192108.7 Ų108.790%0.89762%0.617SS**SBendtrans81.5118.2170.4-46.6-160.1125.100119.5
290K34.9Very low36.4Very low209 Ų209110.7 Ų110.791%0.90964%0.636SS**  trans81.289.2149.4-148.8166-170.81690119.6
291T31Very low36.2Very low130 Ų130117.9 Ų117.980%0.79867%0.669SS**  trans-75.9128.7173.144.40000114.4
292K38Very low36Very low193 Ų193122.1 Ų122.184%0.83970%0.695SS**  trans-162.2121.8140-138.4170.4-178.9173.70114.1
293T36.8Very low35.7Very low111 Ų111123.7 Ų123.768%0.68171%0.712SS**  trans68.8108.5150.839.90000122.7
294I37.3Very low35.4Very low153 Ų153124.4 Ų124.479%0.78571%0.714SS**  94.3102.4126.3-60.1164.2000120.4
295A33.9Very low34.7Very low82 Ų82130.5 Ų130.568%0.67874%0.742SS**  62.7147.3126.700000123.8
296C31.7Very low34.5Very low78 Ų78133.7 Ų133.753%0.52776%0.757SS.*  trans-110.4-161.5-163-41.70000112.7
297P36.8Very low34.2Very low80 Ų80132.9 Ų132.952%0.51976%0.761SS.*  -133.9-173.7-119.634.2-9.3000114.9L109L109-P297 HydrophobicContact CD2-CB 4.09Å; L109-P297 HydrophobicContact CD2-CG 3.19Å
298I33.5Very low33.7Very low163 Ų163133 Ų13384%0.83677%0.766SS**  trans-137.8135170.8-63.6-177.9000111.3
299A30.9Very low33.6Very low99 Ų99133.1 Ų133.182%0.81878%0.776SS**  trans-81146.1178.600000113.3
300C33Very low33.6Very low122 Ų122127.4 Ų127.482%0.82477%0.769SS**  trans-112.9108.5168.50.60000110.3
301H31.3Very low33.6Very low187 Ų187125.9 Ų125.987%0.86676%0.764SS**  trans-88.5115.5169.2-175.4-75.5000108.7
302V35.5Very low33.8Very low120 Ų120125.5 Ų125.573%0.72776%0.762SS**  trans-132.2115.6173.1-170.60000110.5
303S32.9Very low33.6Very low108 Ų108121 Ų12176%0.75576%0.755SS**  trans-147.2146.7143.3-86.20000109.2
304P38.3Very low33.6Very low109 Ų109123 Ų12371%0.70876%0.758SS**  trans-111.9158.9-145.438.6-29.7000112.7
305E29.5Very low33.5Very low183 Ų183121.7 Ų121.786%0.85576%0.758SS**  trans-141.2154.2139.2-84.7-133.599.300110.1
306M35.6Very low33.7Very low159 Ų159122.3 Ų122.378%0.78376%0.757SS**  trans-103.1155.6-165.546.770.2-169.600112.3
307S29.2Very low34Very low103 Ų103126.3 Ų126.372%0.7277%0.768SS**  trans152.3127144-179.90000112.1
308C27.1Very low34.1Very low126 Ų126128.4 Ų128.485%0.85178%0.775SS**  167147.6122.4-880000114.6
309G34.3Very low34.3Very low89 Ų89127.5 Ų127.592%0.91877%0.772SS**  trans84.5141.2162.800000115.6
310G34Very low34.6Very low72 Ų72126.7 Ų126.774%0.74276%0.76SS**  cis-153.4-178.8-10.200000106.9
311E35.4Very low34.9Very low176 Ų176127.9 Ų127.982%0.82276%0.758SS**  cis-170.7150.823.655.2-163.673.400112
312T35.8Very low35.2Very low123 Ų123124 Ų12476%0.75575%0.752SS**  trans53.1126.6153.657.60000125
313S33.2Very low35.1Very low97 Ų97125.3 Ų125.368%0.67875%0.754SS**  120.1113.6121.2-89.20000122.1
314M36.4Very low35.4Very low154 Ų154123.8 Ų123.876%0.75975%0.748SS**  trans77.2119.4141.8-53.6-53.6170.700123.3
315T35.8Very low35.6Very low126 Ų126122.7 Ų122.777%0.77374%0.743SS**  trans64.9143.5140.355.20000121.1
316S37.3Very low36.3Very low94 Ų94124.4 Ų124.466%0.65774%0.742SS**  cis-176.9148.7-1453.50000112.6
317E38.8Very low36.6Very low163 Ų163124.7 Ų124.776%0.76274%0.738SS**  trans80.4141.5150.6-27.3-157.5130.800125.1
318N38.8Very low36.9Very low124 Ų124129.7 Ų129.766%0.66374%0.741SS**  trans74.2105.1146.9-55.3-23.8000119.6
319D38.2Very low37.5Very low143 Ų143132.5 Ų132.577%0.76574%0.742SS**  94.2149.288.2-99.7-50000112.7
320S36.6Very low37.6Very low82 Ų82134.1 Ų134.157%0.57373%0.734SS**  cis-162.2159.13-137.10000112.4
321L38.3Very low37.9Very low148 Ų148136.6 Ų136.678%0.77574%0.735SS**  trans59.8118143.6-66.6166.5000124.6
322S37.9Very low38Very low106 Ų106134.1 Ų134.174%0.74173%0.731SS**  85.3160.312488.20000119.7
323N33.2Very low38Very low147 Ų147135 Ų13579%0.78674%0.736SS**  cis-156147.9-5.4-145.2-14.1000113.4
324A40.8Very low38.6Very low75 Ų75134.6 Ų134.662%0.6274%0.738SS**  trans36.7156.9143.300000126
325S42.5Very low38.9Very low86 Ų86132.7 Ų132.760%0.60174%0.738SS**  trans78153.1150.9-660000117.6
326R42.8Very low38.8Very low220 Ų220132.4 Ų132.483%0.8374%0.74SS**  cis-165.2162.8-7.4-96.3155.6-149.5-171.73.3105.5
327K42.6Very low39.1Very low164 Ų164135.2 Ų135.271%0.71375%0.753SS**  cis-159.71553.8-133.5175.3-175.8-177.80110.8
328R35.7Very low39.3Very low208 Ų208134 Ų13479%0.78576%0.757SS**  trans-18.8148.3153.9-40.9166.4-158.1165.11.5117.7
329H39Very low39.9Very low186 Ų186135.1 Ų135.186%0.86177%0.767SS**  -160.8152.2105-113.4-85.9000113
330T37.4Very low40.2Very low123 Ų123131.1 Ų131.176%0.75576%0.76SS**  trans-132.6-168.9178.8-171.80000108.8
331V40.2Very low40.9Very low124 Ų124133.2 Ų133.275%0.75277%0.772SS**  trans88.7131.1178.8-178.30000113.4
332V37.1Very low41.9Very low124 Ų124132.1 Ų132.175%0.75277%0.773SS**  cis-156.4161-91190000109.8
333V35.4Very low42.5Very low140 Ų140132.2 Ų132.285%0.84877%0.772SS**  trans-107.2137.9169.4175.20000110.5
334A45.7Very low43.3Very low89 Ų89131.5 Ų131.574%0.73677%0.772SS**  trans-144.7151.816400000110.6
335P43.1Very low43.6Very low114 Ų114133.9 Ų133.974%0.7478%0.784SS**  trans-118.7163.2-154.639.3-26.9000116.9
336C34Very low43.7Very low121 Ų121133.7 Ų133.782%0.81880%0.796SS**  trans49.2126.8149.8-61.70000121.6
337T43.9Very low44Very low152 Ų152134.6 Ų134.693%0.93380%0.8SS**  trans-158.8150.1137.15.60000110.9
338V41.7Very low44.3Very low139 Ų139131.4 Ų131.484%0.84280%0.798SS**  trans-107.6130.8-170.1167.90000111.1
339V51.3Low45Very low146 Ų146130.9 Ų130.989%0.88580%0.801SS**  trans-145.6140.7154.5-175.80000109.1
340G45.8Very low45.2Very low60 Ų60128.3 Ų128.362%0.61980%0.798SS**  trans-88.6-177.7-173.500000116.7
341P50.3Low45.9Very low126 Ų126130 Ų13082%0.81880%0.801SS**  trans-103.4161.8-166.239.5-35.5000115.3
342P59.3Low46.4Very low124 Ų124128 Ų12881%0.80579%0.793SS**  trans-129.9174.5147.634.1-17.5000112.6
343P50.7Low47.5Very low109 Ų109128.1 Ų128.171%0.70880%0.796SS**  trans-131.4-167.4-133.843.2-27.9000117.1
344V50.3Low48.4Very low131 Ų131129.9 Ų129.979%0.79480%0.795SS**  trans68.4135.3158.4-62.60000122.7
345S47Very low49.3Very low125 Ų125129.2 Ų129.287%0.87479%0.789SS**  trans60.886.9148.5-68.70000120.3
346G45.2Very low50.1Low83 Ų83129.8 Ų129.886%0.85679%0.793SS**  trans-129.3108.2159.300000111.6
347R48.8Very low51.2Low239 Ų239133.9 Ų133.990%0.90280%0.797SS**  trans-83.9141.9-175.8-176.3-177.4177.9-169.11.6111.9
348S48.2Very low52.5Low96 Ų96129.1 Ų129.167%0.67178%0.778SS**  trans65.8112.1164.7-64.70000119.4
349K50.8Low54.1Low198 Ų198128.3 Ų128.386%0.86178%0.776SS**  -163.7122108.9-101.9147.4-173.5171.70111.9
350V43.9Very low55.2Low132 Ų132126.7 Ų126.780%0.877%0.768SS**  trans-71.8126.2167.7169.40000108.4
351I51.2Low56.8Low158 Ų158129.7 Ų129.781%0.8178%0.777SS**  trans-119.296.8162.1-68.5173.5000106
352S50.7Low58Low82 Ų82133 Ų13357%0.57378%0.778SS**  trans-68.7136.8167.2-66.30000109Q354S352-Q354 PolarHBondContact O-N 2.95Å; S352-Q354 VanDerWaalsContact O-N 3.08Å
353P59.9Low58.4Low127 Ų127132.4 Ų132.483%0.82577%0.774SS**  trans-63.4112.9162.127.7-31.1000107.5A355P353-A355 PolarHBondContact O-N 3.14Å
354Q55.3Low59.6Low176 Ų176132.5 Ų132.582%0.82278%0.775SS**  trans-68.1107.8172.9-72.7-171.420.300108.3S352S352-Q354 PolarHBondContact O-N 2.95Å; S352-Q354 VanDerWaalsContact O-N 3.08Å
355A63.1Low60.8Low75 Ų75132.2 Ų132.262%0.6278%0.776SS**  trans-54.4137.3160.800000108.5P353 K357P353-A355 PolarHBondContact O-N 3.14Å; A355-K357 PolarHBondContact O-N 2.7Å
356P61.6Low61.7Low126 Ų126137 Ų13782%0.81878%0.775SS**  trans-61.7107.2-179.924.3-32.9000109.6G358P356-G358 PolarHBondContact O-N 2.75Å
357K55.5Low62.6Low207 Ų207138 Ų13890%0.977%0.766SS**  trans-75.273.9177.3-69.3-176.5178.3-179.60110.3A355A355-K357 PolarHBondContact O-N 2.7Å
358G72.7Confident63Low52 Ų52130.8 Ų130.854%0.53676%0.758SS.*SBendtrans-123.5150.8164.500000109.8P356P356-G358 PolarHBondContact O-N 2.75Å
359P75.3Confident63.4Low122 Ų122131.9 Ų131.979%0.79276%0.76SS**PPolyproline II helixtrans-57.5146.9164.228.1-33.9000108.8
360P73.6Confident63.4Low113 Ų113132.8 Ų132.873%0.73476%0.758SS**PPolyproline II helixtrans-55.3138.7176.624.1-33.5000109.4K362P360-K362 PolarHBondContact O-N 3.44Å
361P78.7Confident63.8Low122 Ų122133.4 Ų133.479%0.79275%0.752SS**PPolyproline II helixtrans-56.6133.6177.124.5-33.2000108.6
362K75.6Confident63.8Low195 Ų195133.5 Ų133.585%0.84875%0.753SS**PPolyproline II helixtrans-54.1133.3175.6-71.4-178.2178.6178.80107.9P360P360-K362 PolarHBondContact O-N 3.44Å
363P69.4Low63.7Low112 Ų112140.4 Ų140.473%0.72777%0.766SS**PPolyproline II helixtrans-55.2143176.323.9-33.3000108.9
364P75.5Confident63.2Low112 Ų112139.1 Ų139.173%0.72776%0.761SS**PPolyproline II helixtrans-54.6144176.724.5-33.8000108.9R366P364-R366 PolarHBondContact O-N 2.89Å
365P75Confident63.2Low124 Ų124134.9 Ų134.981%0.80576%0.755SS**  trans-55.2114.1177.423.6-32.8000107.8P367P365-P367 VanDerWaalsContact O-N 3.09Å
366R65.4Low62.6Low225 Ų225136.6 Ų136.685%0.84976%0.763SS**  trans-52.1122.8176.9-179.1-177.6-71.9-136.50.9105.8P364 A368P364-R366 PolarHBondContact O-N 2.89Å; R366-A368 PolarHBondContact O-N 3Å; R366-A368 VanDerWaalsContact O-N 3.1Å
367P65.1Low62.3Low104 Ų104137.7 Ų137.768%0.67576%0.761SS**  trans-53.8128.2175.822.7-32.4000106.5P365 V369P365-P367 VanDerWaalsContact O-N 3.09Å; P367-V369 VanDerWaalsContact C-N 3.26Å; P367-V369 PolarHBondContact O-N 2.99Å
368A57.2Low62.1Low89 Ų89134.8 Ų134.874%0.73676%0.755SS**  trans-61.799.2175.500000106.4R366 R370R366-A368 PolarHBondContact O-N 3Å; R366-A368 VanDerWaalsContact O-N 3.1Å; A368-R370 PolarHBondContact O-N 3.14Å
369V55.3Low61.3Low118 Ų118139.7 Ų139.772%0.71577%0.769SS**  trans-68.384.4171.2-179.30000104.8P367 H371P367-V369 VanDerWaalsContact C-N 3.26Å; P367-V369 PolarHBondContact O-N 2.99Å; V369-H371 VanDerWaalsContact C-N 3.29Å; V369-H371 PolarHBondContact O-N 3.17Å
370R51.5Low60Low218 Ų218139.6 Ų139.682%0.82377%0.766SS**  trans-58.1104.5164.2-57.3179.888.9173.46.9103.2A368 I372A368-R370 PolarHBondContact O-N 3.14Å; R370-I372 VanDerWaalsContact O-CG1 3.32Å; R370-I372 WeakPolarHBondContact O-CG1 3.43Å; R370-I372 PolarHBondContact O-N 3.34Å
371H52.3Low58.8Low144 Ų144143.6 Ų143.667%0.66777%0.772SS**  trans-57.2104.8-177.6-164.8-110.6000107.2V369 R373V369-H371 VanDerWaalsContact C-N 3.29Å; V369-H371 PolarHBondContact O-N 3.17Å; H371-R373 PolarHBondContact O-N 3.25Å
372I51.9Low57.3Low161 Ų161147.1 Ų147.183%0.82677%0.774SS**  trans-77.878.5-179.2-54.7-175.4000106.4R370 S374R370-I372 VanDerWaalsContact O-CG1 3.32Å; R370-I372 WeakPolarHBondContact O-CG1 3.43Å; R370-I372 PolarHBondContact O-N 3.34Å; I372-S374 PolarHBondContact O-N 2.78Å
373R47.7Very low55.8Low226 Ų226142.6 Ų142.685%0.85377%0.774SS**  trans31.674.8158.3-65.8178.1166.6176.9-6.6115.3H371H371-R373 PolarHBondContact O-N 3.25Å
374S49.3Very low54.6Low101 Ų101145.6 Ų145.671%0.70678%0.783SS**  trans-66.5125.3131.9-57.20000106.4I372I372-S374 PolarHBondContact O-N 2.78Å
375A55.9Low52.9Low86 Ų86143.9 Ų143.971%0.71179%0.785SS**  trans-88.1146.2-156.800000114.4
376S50Low51.4Low111 Ų111144.3 Ų144.378%0.77679%0.791SS**  trans55.8101.7144.9-54.90000119.9
377L55.8Low50.2Low150 Ų150137.1 Ų137.179%0.78579%0.787SS**  -160.390.1110-109167.7000111.5L379L377-L379 HydrophobicContact CD2-CD2 3.97Å; L377-L379 HydrophobicContact CD2-CG 4.02Å
378D50.4Low49.3Very low145 Ų145136.5 Ų136.578%0.77579%0.791SS**  trans-77.9114160.1-100.3-48.7000108.3
379L57.3Low48.7Very low156 Ų156140.3 Ų140.382%0.81780%0.799SS**  trans-104.777.4163.3-70.1-179.7000109.5L377 K381L377-L379 HydrophobicContact CD2-CD2 3.97Å; L377-L379 HydrophobicContact CD2-CG 4.02Å; L379-K381 PolarHBondContact O-N 3.27Å
380T48.4Very low48.6Very low120 Ų120142.5 Ų142.574%0.73681%0.805SS**  trans-68.1102.9176.8390000111.4
381K48.2Very low48.7Very low196 Ų196137.4 Ų137.485%0.85280%0.801SS**  trans-54.1139.6157.4-120.5167.5-177.8166.50109.2L379L379-K381 PolarHBondContact O-N 3.27Å
382K46Very low49Very low196 Ų196136.4 Ų136.485%0.85281%0.807SS**  trans96.491.2170.4-53.4162.3-175.51770116.5
383A44.1Very low48.6Very low101 Ų101134.4 Ų134.484%0.83581%0.807SS**  trans-132.1118.1140.800000108.7
384L44.8Very low48.9Very low175 Ų175128 Ų12892%0.91680%0.802SS**  trans-77.7142.4166.3-7573.1000107.9
385G39.5Very low49.3Very low75 Ų75129.3 Ų129.377%0.77381%0.809SS**  trans166.873.6172.900000116.9
386S43.4Very low49.1Very low134 Ų134129.5 Ų129.594%0.93781%0.81SS**  trans16.7123.1148-157.40000119.7
387G40.1Very low49.4Very low74 Ų74130.5 Ų130.576%0.76381%0.814SS**  trans172.553.3175.600000116.8
388A46.6Very low49.1Very low91 Ų91134.9 Ų134.975%0.75282%0.82SS**  trans1115.5157.900000120
389N44.1Very low49Very low169 Ų169136.2 Ų136.290%0.90483%0.827SS**  -165.8142.3120.8-97.1-51.1000110.8
390L52.7Low48.9Very low163 Ų163134.7 Ų134.785%0.85383%0.826SS**  trans-131.4173.5-172.8-79.7168.2000109.5
391P55Low48.6Very low111 Ų111139.1 Ų139.172%0.72184%0.835SS**  cis-116.8-104.8-37.529.6-8.6000107.8
392P58.2Low48.2Very low124 Ų124134.6 Ų134.681%0.80583%0.834SS**  cis-90.2-137.3-18.435-22.2000111.5
393S42.7Very low47.9Very low119 Ų119129.7 Ų129.783%0.83283%0.83SS**  trans-155.8152.8179.8173.10000110.3
394A53.7Low47.5Very low90 Ų90129.7 Ų129.774%0.74483%0.83SS**  trans-135.2143.3169.600000110.5
395P59.6Low47.2Very low130 Ų130130 Ų13084%0.84483%0.832SS**PPolyproline II helixtrans-92.1160.5-166.236-36.7000115.2
396A51.3Low46.9Very low90 Ų90131.3 Ų131.374%0.74483%0.829SS**PPolyproline II helixtrans-79.9155.6-174.700000115.4
397P56.7Low46.5Very low132 Ų132129.1 Ų129.186%0.85781%0.813SS**PPolyproline II helixtrans-77.1152.1175-8.326.1000113.1
398R48.3Very low46.6Very low242 Ų242134.6 Ų134.691%0.91382%0.816SS**  trans-104.5140176.5-69174.5171.5-109.90.7111.6
399L48.4Very low46Very low173 Ų173137.9 Ų137.991%0.90682%0.821SS**  trans-74.7141.4167.2-77.1163.8000111.5
400P55.7Low45.5Very low123 Ų123140 Ų14080%0.79982%0.823SS**  trans-87148.6169.234.2-32.1000112.2
401K40.9Very low44.7Very low214 Ų214141.7 Ų141.793%0.9382%0.818SS**  trans-130.4111.4175.7178172.3-178.3170.10110.1
402A41.6Very low43.6Very low100 Ų100143.5 Ų143.583%0.82682%0.817SS**  trans-169.3150.4172.400000108.2
403A38.7Very low42.5Very low94 Ų94142 Ų14278%0.77782%0.815SS**  cis-155.9156.2-19.500000107.4
404A35.1Very low42.1Very low101 Ų101141.4 Ų141.484%0.83581%0.811SS**  trans-74.9132.2176.400000111.2
405L39.2Very low41.4Very low181 Ų181143.2 Ų143.295%0.94881%0.812SS**  trans-134.9136.7158.4-86175000110
406S33.6Very low40.2Very low103 Ų103144.9 Ų144.972%0.7281%0.809SS**  trans-107.3163.4-176.3168.80000110.4
407S34.5Very low39.6Very low87 Ų87146.1 Ų146.161%0.60881%0.807SS**  trans94.1128.9149.2-67.80000120.7
408K42.2Very low38.7Very low189 Ų189146.9 Ų146.982%0.82280%0.804SS**  trans90.699.1143.5-67.2152.4-170.8177.90119.2
409N33.1Very low38.1Very low160 Ų160143.6 Ų143.686%0.85680%0.803SS**  12.8123.5128.8-55.5-4.3000117.6
410F34.9Very low37.5Very low215 Ų215144.1 Ų144.194%0.94380%0.801SS**  trans-136.7155136-150.4-99.1000110.1
411R35.7Very low36.8Very low198 Ų198146.4 Ų146.475%0.74781%0.805SS**  trans-119162.9-164.9-159.4-177.3-169.5-133.415.1109.9
412E31.5Very low36.6Very low148 Ų148143.8 Ų143.869%0.69280%0.796SS**  trans96.1128.1142.3-140.6143.4134.100120.2
413A34.3Very low36.4Very low94 Ų94147 Ų14778%0.77780%0.8SS**  trans69.6146.8158.600000118.1
414S35.7Very low36.3Very low106 Ų106146.9 Ų146.974%0.74180%0.799SS**  cis-16516912.3-1580000113.2
415V38.2Very low36.4Very low127 Ų127151.2 Ų151.277%0.7780%0.795SS**  trans68.1108163.4-165.60000116
416Q34Very low36.3Very low166 Ų166152.1 Ų152.178%0.77679%0.791SS**  cis81.6102.749.5-169.980.515.200114.6
417T40Very low36.1Very low116 Ų116152.8 Ų152.871%0.71280%0.796SS**  -172.3164.9128.534.70000110.7
418D37.4Very low36.2Very low147 Ų147153.1 Ų153.179%0.78680%0.804SS**  trans75.666.2166.4-50-40.4000118.3
419I35.4Very low36Very low174 Ų174152.2 Ų152.289%0.89281%0.807SS**  trans-109.880.1155.3-57.7175.7000108.2
420E35.4Very low36Very low184 Ų184149.7 Ų149.786%0.8680%0.799SS**  trans-157.7102171.6-148.1169.4154.400109.9
421L40.4Very low35.8Very low170 Ų170149.1 Ų149.189%0.8980%0.797SS**SBendtrans159.513.7159.9-89.4166.6000116.2
422Q38.6Very low35.6Very low160 Ų160144.4 Ų144.475%0.74879%0.794SS**SBendtrans-108.2-5.4176-81.5-173.6-17.500116.6Y425Q422-Y425 VanDerWaalsContact O-CE1 3.23Å; Q422-Y425 WeakPolarHBondContact O-CE1 3.49Å
423N35.5Very low35.5Very low167 Ų167147 Ų14789%0.89380%0.804SS**SBendtrans-98.915-174.7-76.1-14.5000115.6
424A38.5Very low35.7Very low92 Ų92150.4 Ų150.476%0.7680%0.804SS**SBendtrans-105.2-6-170.100000116.3
425Y35.9Very low35.4Very low192 Ų192155 Ų15575%0.75381%0.81SS**SBendtrans-103.911.8-177.762.8-92.4000114.7Q422Q422-Y425 VanDerWaalsContact O-CE1 3.23Å; Q422-Y425 WeakPolarHBondContact O-CE1 3.49Å
426K36.9Very low35.1Very low199 Ų199154.5 Ų154.587%0.86581%0.808SS**SBendtrans-112.338.5-175.8-133.3-177-172.4-174.10113.6
427S30.7Very low35Very low117 Ų117153.7 Ų153.782%0.81881%0.814SS**  trans-164.475178.7175.50000113.8
428A36.6Very low34.9Very low95 Ų95152.4 Ų152.479%0.78581%0.814SS**  trans-161.262.9165.900000116
429L36.5Very low34.7Very low169 Ų169154.3 Ų154.389%0.88582%0.819SS**  trans65.9177.2146.5-46.8176.5000116.6
430P33.9Very low34.8Very low107 Ų107151.2 Ų151.270%0.69581%0.813SS**  -136.4162.1-100.635.2-13.9000115.4
431F30.1Very low35Very low204 Ų204149.4 Ų149.490%0.89581%0.808SS**  -172.9130.4127.4-127-107.3000112.3
432S31.1Very low34.8Very low98 Ų98149 Ų14969%0.68580%0.801SS**  trans-79.9150166.9-54.70000110.4
433F31.3Very low34.8Very low204 Ų204146.1 Ų146.190%0.89580%0.799SS**  trans-128.594.3154.4-155.2-92000109.1
434E36.6Very low34.7Very low165 Ų165145.1 Ų145.177%0.77179%0.794SS**  trans-68144.5176.3-80.9-176.6106.800111.7
435K30.3Very low34.6Very low203 Ų203145.5 Ų145.588%0.88379%0.791SS**  trans-10294.6179.3178.1-172.5177.8-176.40108.8
436T31.5Very low34.4Very low116 Ų116142.5 Ų142.571%0.71279%0.792SS**  trans-125.8105.3173.4-500000110.3
437V31.9Very low34.5Very low149 Ų149137.1 Ų137.190%0.90378%0.78SS**  trans-115109.2164.8176.40000106.7
438A38.9Very low34.7Very low88 Ų88141.5 Ų141.573%0.72778%0.784SS**  trans-145.8133.2168.200000108.5
439E32.8Very low34.6Very low187 Ų187139.9 Ų139.987%0.87478%0.776SS**  trans-67.1141-178.2-66.4147.385.900112.5
440S37.4Very low34.7Very low110 Ų110138.7 Ų138.777%0.76978%0.777SS**  -177.7120.4123.1-81.40000113.4
441L39.4Very low34.7Very low145 Ų145138.7 Ų138.776%0.75978%0.779SS**  trans30.8128.6137.2-68.2147.9000121.8
442E36Very low35.2Very low161 Ų161134.9 Ų134.975%0.75277%0.772SS**  trans75.296.9133.2-68.9176.412900122.2
443S38.4Very low35.3Very low101 Ų101138.6 Ų138.671%0.70678%0.779SS**  98.4123.1112.479.70000121.3
444N33.1Very low35.5Very low146 Ų146137.3 Ų137.378%0.78178%0.776SS**  trans69.8109136.2-73.6-24.3000122.6
445S36.8Very low35.3Very low99 Ų99137.8 Ų137.869%0.69278%0.778SS**  101.7125.4113.777.50000120.1
446V33Very low35.6Very low130 Ų130132.5 Ų132.579%0.78877%0.772SS**  70.4135.2124167.50000117.7
447S37.6Very low35.7Very low85 Ų85135.9 Ų135.959%0.59478%0.777SS**  cis-172.4155.8-7.2-99.10000111.7
448K35.4Very low35.8Very low209 Ų209136.6 Ų136.691%0.90977%0.772SS**  trans58.1138.9142.4-67.7174.4177.5177.60123.1
449G35.4Very low35.5Very low61 Ų61140.5 Ų140.563%0.62978%0.775SS**  trans143.296.2147.600000113.9
450T38.5Very low35.5Very low145 Ų145140 Ų14089%0.8977%0.77SS**  62.7134.187.859.60000114.7
451S33.3Very low35Very low106 Ų106139.7 Ų139.774%0.74177%0.767SS**  cis-173.9-1752.1-176.30000110
452V40.7Very low35Very low124 Ų124140.7 Ų140.775%0.75277%0.773SS**  trans76.9109.6162.2-165.80000114.7
453E34.3Very low35.2Very low176 Ų176140.2 Ų140.282%0.82278%0.776SS**  83.6113.854.1-172166127.200114.1
454E34.9Very low35Very low178 Ų178142.8 Ų142.883%0.83278%0.781SS**  -177.1158.7113.6-163.7159.3113.100112.2
455Q32.7Very low35.3Very low174 Ų174141.4 Ų141.481%0.81378%0.778SS**  trans-65.7151.5-163.2-52.6172.6-9.700117.9
456A36.1Very low35.3Very low92 Ų92141.9 Ų141.976%0.7678%0.776SS**  145.6119.710400000117
457K34.2Very low35.3Very low187 Ų187141.1 Ų141.181%0.81377%0.773SS**  trans68.790.2131.7-163.1-175.9-174.6-176.80120.7
458M32.7Very low35.3Very low165 Ų165142.2 Ų142.281%0.81378%0.775SS**  -172.9116.2128.6-120.780.97500107.2
459Q33.3Very low35.3Very low170 Ų170138 Ų13879%0.79477%0.767SS**  79.4103.784.8-174.4164.2-3900115.6
460K32.1Very low35.5Very low176 Ų176142 Ų14277%0.76577%0.773SS**  trans100.1110.7138.8-157.1133.6-179.5179.90119.7
461C28.4Very low35.3Very low103 Ų103139 Ų13970%0.69676%0.762SS**  trans49.9116.115164.50000120.7
462D38.6Very low35.5Very low166 Ų166139.2 Ų139.289%0.88876%0.764SS**  trans-120.8147.1154.6-83.1-58.3000111.1
463N39.3Very low35.3Very low152 Ų152138.7 Ų138.781%0.81377%0.766SS**  trans-84.8136.9-172.7-63.7-64.5000111.6V465N463-V465 PolarHBondContact O-N 2.95Å
464N35.6Very low35.3Very low154 Ų154135.5 Ų135.582%0.82476%0.763SS**  trans-90.588.2-177.1-158.314.9000111.1V466N464-V466 PolarHBondContact O-N 3.12Å
465V38.1Very low35.5Very low118 Ų118134.2 Ų134.272%0.71576%0.76SS**  trans-80.8111.8171.5174.20000109.2N463 T467N463-V465 PolarHBondContact O-N 2.95Å; V465-T467 PolarHBondContact O-N 2.71Å
466V38Very low35.7Very low108 Ų108136.3 Ų136.366%0.65576%0.761SS**  trans-89.784.8178.8-176.80000110.1N464 T468N464-V466 PolarHBondContact O-N 3.12Å; V466-T468 PolarHBondContact O-N 3.29Å; V466-T468 VanDerWaalsContact O-N 3.11Å
467T32.8Very low35.7Very low115 Ų115140.4 Ų140.471%0.70676%0.764SS**  trans-68.7103.7170.3-55.20000109.9V465 T469V465-T467 PolarHBondContact O-N 2.71Å; T467-T469 PolarHBondContact O-N 2.87Å
468T37.7Very low35.8Very low107 Ų107138.2 Ų138.266%0.65676%0.762SS**  trans-93.595.4173.9-59.30000110.2V466 I470V466-T468 PolarHBondContact O-N 3.29Å; V466-T468 VanDerWaalsContact O-N 3.11Å; T468-I470 PolarHBondContact O-N 3.48Å
469T34.9Very low36.2Very low120 Ų120136 Ų13674%0.73676%0.757SS**  trans-65.8114.7171.5-55.90000110.3T467 A471T467-T469 PolarHBondContact O-N 2.87Å; T469-A471 PolarHBondContact O-N 3.19Å
470I40Very low36.7Very low146 Ų146133.6 Ų133.675%0.74976%0.756SS**  trans-8399.3172.4-52178.5000108.2T468 S472T468-I470 PolarHBondContact O-N 3.48Å; I470-S472 PolarHBondContact O-N 2.97Å; I470-S472 VanDerWaalsContact O-N 3.12Å
471A34.2Very low36.7Very low81 Ų81131.2 Ų131.267%0.66976%0.761SS**  trans-76.39617600000110.8T469 S473T469-A471 PolarHBondContact O-N 3.19Å; A471-S473 PolarHBondContact O-N 2.82Å; A471-S473 VanDerWaalsContact O-N 3.12Å
472S36.8Very low37.4Very low112 Ų112130.4 Ų130.478%0.78376%0.762SS**  trans-67.5104.5169-66.90000110.3I470 S474I470-S472 PolarHBondContact O-N 2.97Å; I470-S472 VanDerWaalsContact O-N 3.12Å; S472-S474 PolarHBondContact O-N 3.11Å
473S36.1Very low37.4Very low112 Ų112130 Ų13078%0.78376%0.76SS**  trans-66.5102.1178.6-62.10000111.6A471 I475A471-S473 PolarHBondContact O-N 2.82Å; A471-S473 VanDerWaalsContact O-N 3.12Å; S473-I475 PolarHBondContact O-N 2.83Å
474S34.2Very low37.3Very low109 Ų109131.2 Ų131.276%0.76277%0.766SS**  trans-70.9112171.3-174.20000110.4S472 R476S472-S474 PolarHBondContact O-N 3.11Å; S474-R476 PolarHBondContact O-N 2.92Å
475I40.3Very low37.6Very low151 Ų151128.1 Ų128.177%0.77476%0.762SS**  trans-75.4103.4173.2-66.4173.8000108.2S473 Q477S473-I475 PolarHBondContact O-N 2.83Å; I475-Q477 PolarHBondContact O-N 3.31Å
476R36.9Very low37.6Very low218 Ų218129.7 Ų129.782%0.82377%0.766SS**  trans-76.8114.6164.9-71.7-173.3172.6-143.1-0.9109.2S474 D478S474-R476 PolarHBondContact O-N 2.92Å; R476-D478 PolarHBondContact O-N 3.25Å
477Q35.5Very low37.6Very low179 Ų179128.4 Ų128.484%0.83676%0.762SS**  trans-8298.9160.6-77.7-173.3-40.900108.6I475I475-Q477 PolarHBondContact O-N 3.31Å
478D36.7Very low38Very low141 Ų141132.6 Ų132.675%0.75477%0.77SS**  trans-87.4130.4168.1-132.1-66000109.1R476 P480R476-D478 PolarHBondContact O-N 3.25Å; D478-P480 WeakPolarHBondContact O-CD 3.34Å
479V41.9Very low37.9Very low119 Ų119131.5 Ų131.572%0.72178%0.78SS**  trans-117.397.2-168.7-153.50000110S481V479-S481 PolarHBondContact O-N 3.49Å
480P42Very low38.1Very low119 Ų119131.4 Ų131.477%0.77378%0.784SS**  trans-80.4105.3-178.530.2-32.2000111.1D478 A482D478-P480 WeakPolarHBondContact O-CD 3.34Å; P480-A482 PolarHBondContact O-N 3.33Å
481S32.6Very low37.9Very low125 Ų125129.2 Ų129.287%0.87479%0.788SS**  trans-72.6112.2168-69.40000110.8V479V479-S481 PolarHBondContact O-N 3.49Å
482A43.4Very low38.3Very low86 Ų86131.8 Ų131.871%0.71180%0.795SS**  trans-144.896.4173.700000113.1P480P480-A482 PolarHBondContact O-N 3.33Å
483N38.3Very low38.3Very low158 Ų158131.5 Ų131.585%0.84580%0.799SS**  trans26.3102.2148.6-65.7-42.8000120.3A485N483-A485 PolarHBondContact O-N 3.31Å
484L36.8Very low38.9Very low177 Ų177130.4 Ų130.493%0.92780%0.797SS**  1.3100.1124.4-170.978.6000117
485A42.9Very low39.3Very low90 Ų90132.9 Ų132.974%0.74480%0.802SS**  trans-163.5106.3149.500000114.7N483N483-A485 PolarHBondContact O-N 3.31Å
486N36.8Very low39.6Very low151 Ų151132.8 Ų132.881%0.80781%0.808SS**  trans67.2115.4136.9-148.717.1000122.7
487S39.5Very low40.3Very low81 Ų81130.3 Ų130.357%0.56681%0.806SS**  trans4.8126.8151.269.20000121.5
488K41.2Very low41.1Very low203 Ų203129.3 Ų129.388%0.88381%0.805SS**  -179.5136.797.2-93.3161.9-174.1174.90110.2
489G35.8Very low41.6Very low83 Ų83126.8 Ų126.886%0.85680%0.797SS**  trans-85.2156.4-178.300000113.6
490S38.3Very low42.3Very low119 Ų119124.5 Ų124.583%0.83279%0.79SS**  trans-150.8132.9147.4-168.50000108.4
491A35.2Very low42.8Very low100 Ų100126.2 Ų126.283%0.82679%0.788SS**  trans-84.5129.6-176.900000110.8
492V44.3Very low44Very low134 Ų134125.1 Ų125.181%0.81278%0.776SS**  trans-127.6119164-178.50000107.5
493A35.9Very low44.9Very low106 Ų106128.4 Ų128.488%0.87677%0.774SS**  trans-75.5125.4-179.600000110.5
494A47.7Very low46.9Very low90 Ų90124.7 Ų124.774%0.74476%0.755SS**  trans-142.2123.2168.600000109.4
495N43.4Very low49.2Very low160 Ų160124.1 Ų124.186%0.85674%0.74SS**  trans1.2118.7172.6-61.2-14.2000118.5E497N495-E497 PolarHBondContact O-N 3.31Å
496V47Very low51.5Low149 Ų149125.5 Ų125.590%0.90373%0.73SS**  trans-70.594.3160.3178.70000108.5
497E51Low54Low167 Ų167124.3 Ų124.378%0.7872%0.717SS**PPolyproline II helixtrans-77.8130.6171.2-168.2163.9172.900109.7N495N495-E497 PolarHBondContact O-N 3.31Å
498L52.4Low56.3Low157 Ų157128.8 Ų128.882%0.82272%0.722SS**PPolyproline II helixtrans-64.1141.2179.8-76.2161.5000110.6
499P48.1Very low58.6Low88 Ų88122.4 Ų122.457%0.57170%0.702SS**PPolyproline II helixtrans-63.1139.1-167.424.2-34000113E501P499-E501 PolarHBondContact O-N 2.87Å; P499-E501 VanDerWaalsContact O-N 3.09Å
500A56Low61.3Low71 Ų71122.7 Ų122.759%0.58768%0.684SS**THydrogen-bonded Turntrans-68.2-8.2-170.500000115.4T502 K503A500-T502 PolarHBondContact O-N 3.03Å; A500-K503 PolarHBondContact O-N 2.69Å
501E51.6Low64Low155 Ų155120.9 Ų120.972%0.72467%0.665SS**Hα-helixtrans-56.4-26.6-177-64.9-170.6119.100114P499 K503 D504P499-E501 PolarHBondContact O-N 2.87Å; P499-E501 VanDerWaalsContact O-N 3.09Å; E501-K503 PolarHBondContact O-N 3.4Å; E501-K503 VanDerWaalsContact O-N 3.13Å; E501-D504 PolarHBondContact O-N 3.03Å; E501-D504 VanDerWaalsContact O-N 3.14Å
502T58Low66.7Low103 Ų103123.8 Ų123.863%0.63266%0.659SS**Hα-helixtrans-66-12.2177.757.10000114.2A500 W505A500-T502 PolarHBondContact O-N 3.03Å; T502-W505 PolarHBondContact O-NE1 3.38Å
503K62Low69Low154 Ų154121.3 Ų121.367%0.6765%0.647SS**Hα-helixtrans-90.4-25.7174-67.1172.6-177.1166.20112.7A500 E501 K507A500-K503 PolarHBondContact O-N 2.69Å; E501-K503 PolarHBondContact O-N 3.4Å; E501-K503 VanDerWaalsContact O-N 3.13Å; K503-K507 PolarHBondContact O-N 3.11Å
504D81.4Confident71.8Confident80 Ų80125.8 Ų125.843%0.42864%0.642SS.*Hα-helixtrans-75.3-36.8-174.7-84.5-16.6000113.7E501 K506 K507 R508E501-D504 PolarHBondContact O-N 3.03Å; E501-D504 VanDerWaalsContact O-N 3.14Å; D504-K506 VanDerWaalsContact C-N 3.27Å; D504-K506 PolarHBondContact O-N 2.93Å; D504-K507 PolarHBondContact O-N 3.47Å; D504-R508 WeakPolarHBondContact O-CG 3.42Å; D504-R508 PolarHBondContact O-N 3.21Å
505W84.5Confident74.1Confident165 Ų165126.3 Ų126.363%0.62563%0.631SS**Hα-helixtrans-62.4-37.6178.778.4-90.5000111.8T502 R508 C509T502-W505 PolarHBondContact O-NE1 3.38Å; W505-R508 PolarHBondContact O-N 3.36Å; W505-C509 WeakPolarHBondContact O-CB 3.42Å; W505-C509 PolarHBondContact O-N 3.18Å
506K90.6Very high76.4Confident120 Ų120122.6 Ų122.652%0.52261%0.612SS.*Hα-helixtrans-66.1-46.5178.2179.8161.1-177.7147.40110.5D504 R508 C509 D510D504-K506 VanDerWaalsContact C-N 3.27Å; D504-K506 PolarHBondContact O-N 2.93Å; K506-R508 PolarHBondContact O-N 3.22Å; K506-C509 WeakPolarHBondContact O-CB 3.46Å; K506-C509 PolarHBondContact O-N 3.26Å; K506-C509 VanDerWaalsContact O-N 3.08Å; K506-D510 VanDerWaalsContact O-CG 3.3Å; K506-D510 PolarHBondContact O-N 3.39Å
507K90.7Very high78.8Confident126 Ų126116.8 Ų116.855%0.54858%0.581SS.*Hα-helixtrans-56.3-46.9173.9-171.1-170.7171.9-166.90111.8K503 D504 C509 D510 D511K503-K507 PolarHBondContact O-N 3.11Å; D504-K507 PolarHBondContact O-N 3.47Å; K507-C509 VanDerWaalsContact C-N 3.29Å; K507-C509 PolarHBondContact O-N 3.05Å; K507-D510 PolarHBondContact O-N 3.32Å; K507-D511 WeakPolarHBondContact O-CB 3.49Å; K507-D511 VanDerWaalsContact O-CG 3.32Å; K507-D511 PolarHBondContact O-N 2.93Å
508R87.9Confident80.9Confident174 Ų174113.1 Ų113.166%0.65756%0.563SS**Hα-helixtrans-60.8-36.3175.4-68.3176.7-163.4165.37.8112.7D504 W505 K506 K512D504-R508 WeakPolarHBondContact O-CG 3.42Å; D504-R508 PolarHBondContact O-N 3.21Å; W505-R508 PolarHBondContact O-N 3.36Å; K506-R508 PolarHBondContact O-N 3.22Å; R508-K512 VanDerWaalsContact O-CB 3.29Å; R508-K512 WeakPolarHBondContact O-CB 3.31Å; R508-K512 PolarHBondContact O-N 3.43Å
509C89.3Confident83Confident69 Ų69110.1 Ų110.147%0.46655%0.548SS..Hα-helixtrans-68.9-43.5176.2-166.70000111.8W505 K506 K507 K512 S513W505-C509 WeakPolarHBondContact O-CB 3.42Å; W505-C509 PolarHBondContact O-N 3.18Å; K506-C509 WeakPolarHBondContact O-CB 3.46Å; K506-C509 PolarHBondContact O-N 3.26Å; K506-C509 VanDerWaalsContact O-N 3.08Å; K507-C509 VanDerWaalsContact C-N 3.29Å; K507-C509 PolarHBondContact O-N 3.05Å; C509-K512 PolarHBondContact O-N 2.93Å; C509-S513 WeakPolarHBondContact O-CB 3.42Å; C509-S513 PolarHBondContact O-N 3.24Å
510D92.9Very high85.2Confident90 Ų90111.4 Ų111.448%0.48155%0.546SS..Hα-helixtrans-64.9-43.4176.5-64.6-27.4000110.9K506 K507 S513 R514K506-D510 VanDerWaalsContact O-CG 3.3Å; K506-D510 PolarHBondContact O-N 3.39Å; K507-D510 PolarHBondContact O-N 3.32Å; D510-S513 PolarHBondContact O-N 3.03Å; D510-R514 WeakPolarHBondContact O-CB 3.22Å; D510-R514 PolarHBondContact O-N 3.1Å
511D93.4Very high87.1Confident80 Ų80114.5 Ų114.543%0.42854%0.542SS..Hα-helixtrans-62.7-43.4175-73.8-30.8000111.6K507 R514 L515K507-D511 WeakPolarHBondContact O-CB 3.49Å; K507-D511 VanDerWaalsContact O-CG 3.32Å; K507-D511 PolarHBondContact O-N 2.93Å; D511-R514 PolarHBondContact O-N 3.5Å; D511-L515 PolarHBondContact O-N 2.84Å
512K91.7Very high89.1Confident162 Ų162110.5 Ų110.570%0.70452%0.524SS*.Hα-helixtrans-64.8-40.8175.3-174.1173.8-178.5177.10112.1R508 C509 R514 L515 N516R508-K512 VanDerWaalsContact O-CB 3.29Å; R508-K512 WeakPolarHBondContact O-CB 3.31Å; R508-K512 PolarHBondContact O-N 3.43Å; C509-K512 PolarHBondContact O-N 2.93Å; K512-R514 VanDerWaalsContact C-N 3.35Å; K512-L515 PolarHBondContact O-N 3.27Å; K512-N516 WeakPolarHBondContact O-CB 3.45Å; K512-N516 PolarHBondContact O-N 2.99Å
513S93.7Very high90.9Very high82 Ų82111.4 Ų111.457%0.57352%0.524SS*.Hα-helixtrans-63.2-41.6175.5-171.40000111.6C509 D510 N516 G517C509-S513 WeakPolarHBondContact O-CB 3.42Å; C509-S513 PolarHBondContact O-N 3.24Å; D510-S513 PolarHBondContact O-N 3.03Å; S513-N516 PolarHBondContact O-N 3.23Å; S513-G517 PolarHBondContact O-N 2.92Å
514R95.1Very high92.5Very high200 Ų200111.2 Ų111.276%0.75552%0.523SS*.Hα-helixtrans-64-39.7175.3-175180179.3-167.2-0.8112.7D510 D511 K512 F518D510-R514 WeakPolarHBondContact O-CB 3.22Å; D510-R514 PolarHBondContact O-N 3.1Å; D511-R514 PolarHBondContact O-N 3.5Å; K512-R514 VanDerWaalsContact C-N 3.35Å; R514-F518 PolarHBondContact O-N 3.4Å
515L94.8Very high93.2Very high101 Ų101112.5 Ų112.553%0.52953%0.526SS..Hα-helixtrans-67.9-43.1175.3-177.861.2000111.5D511 K512 G517 F518 L519D511-L515 PolarHBondContact O-N 2.84Å; K512-L515 PolarHBondContact O-N 3.27Å; L515-G517 PolarHBondContact O-N 3.09Å; L515-F518 WeakPolarHBondContact O-CA 3.48Å; L515-F518 WeakPolarHBondContact O-CB 3.32Å; L515-F518 PolarHBondContact O-N 3.37Å; L515-L519 HydrophobicContact CG-CD1 4.4Å; L515-L519 PolarHBondContact O-N 2.93Å
516N92.7Very high93.8Very high82 Ų82110 Ų11044%0.43953%0.525SS..Hα-helixtrans-60.2-47.1176.4-168.367.7000111.4K512 S513 F518 L519 E520K512-N516 WeakPolarHBondContact O-CB 3.45Å; K512-N516 PolarHBondContact O-N 2.99Å; S513-N516 PolarHBondContact O-N 3.23Å; N516-F518 PolarHBondContact O-N 3.3Å; N516-F518 VanDerWaalsContact O-N 3.14Å; N516-L519 PolarHBondContact O-N 2.98Å; N516-L519 VanDerWaalsContact O-N 3.13Å; N516-E520 PolarHBondContact ND2-OE1 3.02Å; N516-E520 WeakPolarHBondContact O-CG 3.23Å; N516-E520 PolarHBondContact O-N 3.5Å
517G96.2Very high94Very high26 Ų26108.5 Ų108.527%0.26852%0.521SS..Hα-helixtrans-69-4.2173.300000115.2S513 L515 R521S513-G517 PolarHBondContact O-N 2.92Å; L515-G517 PolarHBondContact O-N 3.09Å; G517-R521 PolarHBondContact O-NE 3.43Å; G517-R521 PolarHBondContact O-NH2 2.87Å
518F95.9Very high94.2Very high90 Ų90109 Ų10940%0.39553%0.525SS..Hα-helixtrans-88.2-49164.2174.4-92.2000110.8R514 L515 N516 E520 R521 E522R514-F518 PolarHBondContact O-N 3.4Å; L515-F518 WeakPolarHBondContact O-CA 3.48Å; L515-F518 WeakPolarHBondContact O-CB 3.32Å; L515-F518 PolarHBondContact O-N 3.37Å; N516-F518 PolarHBondContact O-N 3.3Å; N516-F518 VanDerWaalsContact O-N 3.14Å; F518-E520 VanDerWaalsContact C-N 3.31Å; F518-E520 PolarHBondContact O-N 3.48Å; F518-R521 WeakPolarHBondContact O-CB 3.46Å; F518-R521 PolarHBondContact O-N 3.06Å; F518-E522 HydrophobicContact CD1-CG 4.28Å; F518-E522 HydrophobicContact CE1-CG 3.72Å; F518-E522 HydrophobicContact CE2-CG 4.36Å; F518-E522 HydrophobicContact CZ-CG 3.76Å; F518-E522 PolarHBondContact O-N 3.4Å
519L95.6Very high94.6Very high95 Ų95106 Ų10650%0.49752%0.521SS..Hα-helixtrans-58.6-40177.5-65.8171.3000112.4L515 N516 R521 E522 L523L515-L519 HydrophobicContact CG-CD1 4.4Å; L515-L519 PolarHBondContact O-N 2.93Å; N516-L519 PolarHBondContact O-N 2.98Å; N516-L519 VanDerWaalsContact O-N 3.13Å; L519-R521 VanDerWaalsContact C-N 3.27Å; L519-R521 PolarHBondContact O-N 3.14Å; L519-E522 PolarHBondContact O-N 2.93Å; L519-L523 WeakPolarHBondContact O-CB 3.37Å; L519-L523 PolarHBondContact O-N 2.92Å
520E94.5Very high95Very high115 Ų115109.4 Ų109.454%0.53752%0.524SS..Hα-helixtrans-61.6-32.5174.8-72.9171.5179.900113.1N516 F518 K524N516-E520 PolarHBondContact ND2-OE1 3.02Å; N516-E520 WeakPolarHBondContact O-CG 3.23Å; N516-E520 PolarHBondContact O-N 3.5Å; F518-E520 VanDerWaalsContact C-N 3.31Å; F518-E520 PolarHBondContact O-N 3.48Å; E520-K524 WeakPolarHBondContact O-CB 3.4Å; E520-K524 PolarHBondContact O-N 3.34Å; E520-K524 VanDerWaalsContact O-N 3.1Å
521R95.4Very high95.1Very high135 Ų135109.5 Ų109.551%0.50952%0.524SS..Hα-helixtrans-77.2-38.2176.6-76-178.4-72.2115.5-5.9112.4G517 F518 L519 K524 Q525G517-R521 PolarHBondContact O-NE 3.43Å; G517-R521 PolarHBondContact O-NH2 2.87Å; F518-R521 WeakPolarHBondContact O-CB 3.46Å; F518-R521 PolarHBondContact O-N 3.06Å; L519-R521 VanDerWaalsContact C-N 3.27Å; L519-R521 PolarHBondContact O-N 3.14Å; R521-K524 PolarHBondContact O-N 2.77Å; R521-Q525 WeakPolarHBondContact O-CG 3.31Å; R521-Q525 PolarHBondContact O-N 3.13Å; R521-Q525 PolarHBondContact O-NE2 3.03Å
522E95.3Very high95.2Very high71 Ų71107.4 Ų107.433%0.33252%0.521SS..Hα-helixtrans-65.4-46.4173-71.1-5711900110.9F518 L519 K524 Q525 L526F518-E522 HydrophobicContact CD1-CG 4.28Å; F518-E522 HydrophobicContact CE1-CG 3.72Å; F518-E522 HydrophobicContact CE2-CG 4.36Å; F518-E522 HydrophobicContact CZ-CG 3.76Å; F518-E522 PolarHBondContact O-N 3.4Å; L519-E522 PolarHBondContact O-N 2.93Å; E522-K524 VanDerWaalsContact C-N 3.28Å; E522-K524 PolarHBondContact O-N 3.15Å; E522-Q525 PolarHBondContact O-N 3.3Å; E522-Q525 VanDerWaalsContact O-N 3.14Å; E522-Q525 PolarHBondContact OE1-NE2 2.92Å; E522-L526 WeakPolarHBondContact O-CG 3.3Å; E522-L526 PolarHBondContact O-N 2.84Å
523L95Very high95.4Very high122 Ų122104.7 Ų104.764%0.63951%0.514SS*.Hα-helixtrans-58.1-40.8175.5-176.962.5000111.9L519 L526 M527L519-L523 WeakPolarHBondContact O-CB 3.37Å; L519-L523 PolarHBondContact O-N 2.92Å; L523-L526 PolarHBondContact O-N 3.18Å; L523-M527 WeakPolarHBondContact O-CB 3.41Å; L523-M527 PolarHBondContact O-N 3.24Å
524K96.4Very high95.4Very high151 Ų151104.6 Ų104.666%0.65750%0.504SS*.Hα-helixtrans-63.7-44.5175.1-174.5178177.4-177.50112.4E520 R521 E522 M527 E528E520-K524 WeakPolarHBondContact O-CB 3.4Å; E520-K524 PolarHBondContact O-N 3.34Å; E520-K524 VanDerWaalsContact O-N 3.1Å; R521-K524 PolarHBondContact O-N 2.77Å; E522-K524 VanDerWaalsContact C-N 3.28Å; E522-K524 PolarHBondContact O-N 3.15Å; K524-M527 PolarHBondContact O-N 3.11Å; K524-E528 PolarHBondContact O-N 3.09Å
525Q96Very high95.3Very high106 Ų10698.6 Ų98.650%0.49549%0.493SS..Hα-helixtrans-62.2-44.4176.1-75.8173.681.200111.6R521 E522 M527 E528 L529R521-Q525 WeakPolarHBondContact O-CG 3.31Å; R521-Q525 PolarHBondContact O-N 3.13Å; R521-Q525 PolarHBondContact O-NE2 3.03Å; E522-Q525 PolarHBondContact O-N 3.3Å; E522-Q525 VanDerWaalsContact O-N 3.14Å; E522-Q525 PolarHBondContact OE1-NE2 2.92Å; Q525-M527 VanDerWaalsContact C-N 3.32Å; Q525-M527 PolarHBondContact O-N 3.48Å; Q525-E528 PolarHBondContact O-N 3.5Å; Q525-L529 WeakPolarHBondContact O-CB 3.35Å; Q525-L529 PolarHBondContact O-N 3.32Å
526L96.3Very high95.3Very high113 Ų11397.1 Ų97.159%0.59248%0.483SS*.Hα-helixtrans-61.9-38.8175.9-71.6172.6000112.1E522 L523 L529 R530E522-L526 WeakPolarHBondContact O-CG 3.3Å; E522-L526 PolarHBondContact O-N 2.84Å; L523-L526 PolarHBondContact O-N 3.18Å; L526-L529 PolarHBondContact O-N 2.53Å; L526-R530 VanDerWaalsContact O-CB 3.27Å; L526-R530 WeakPolarHBondContact O-CB 3.42Å; L526-R530 PolarHBondContact O-N 3.36Å
527M95.2Very high95.3Very high89 Ų8997.7 Ų97.744%0.43849%0.486SS..Hα-helixtrans-68.1-40.2176.7-162.917594.700112.2L523 K524 Q525 R530 I531L523-M527 WeakPolarHBondContact O-CB 3.41Å; L523-M527 PolarHBondContact O-N 3.24Å; K524-M527 PolarHBondContact O-N 3.11Å; Q525-M527 VanDerWaalsContact C-N 3.32Å; Q525-M527 PolarHBondContact O-N 3.48Å; M527-R530 PolarHBondContact O-N 3.37Å; M527-I531 HydrophobicContact CE-CD1 4.38Å; M527-I531 HydrophobicContact CG-CD1 4.26Å; M527-I531 WeakPolarHBondContact O-CD1 3.23Å; M527-I531 VanDerWaalsContact O-CG1 3.26Å; M527-I531 WeakPolarHBondContact O-CG1 3.42Å; M527-I531 PolarHBondContact O-N 3.23Å
528E95.4Very high95.2Very high136 Ų13699.7 Ų99.764%0.63649%0.49SS*.Hα-helixtrans-63.8-43174.5-173.5168.5-178.600111.5K524 Q525 I531 G532K524-E528 PolarHBondContact O-N 3.09Å; Q525-E528 PolarHBondContact O-N 3.5Å; E528-I531 PolarHBondContact O-N 2.79Å; E528-G532 PolarHBondContact O-N 2.98Å
529L96.1Very high95.1Very high111 Ų111102.9 Ų102.958%0.58150%0.5SS*.Hα-helixtrans-67.2-38.8177.2-159.2152.2000111.8Q525 L526 G532 L533Q525-L529 WeakPolarHBondContact O-CB 3.35Å; Q525-L529 PolarHBondContact O-N 3.32Å; L526-L529 PolarHBondContact O-N 2.53Å; L529-G532 PolarHBondContact O-N 3.33Å; L529-L533 HydrophobicContact CD2-CD1 3.71Å; L529-L533 HydrophobicContact CD2-CG 4.16Å; L529-L533 WeakPolarHBondContact O-CG 3.44Å; L529-L533 PolarHBondContact O-N 3.18Å
530R96.8Very high94.9Very high140 Ų140102.3 Ų102.353%0.52850%0.497SS..Hα-helixtrans-59.1-49.3171.4-180-177.6177.7-67.7-13.3111.5L526 M527 G532 L533 E534L526-R530 VanDerWaalsContact O-CB 3.27Å; L526-R530 WeakPolarHBondContact O-CB 3.42Å; L526-R530 PolarHBondContact O-N 3.36Å; M527-R530 PolarHBondContact O-N 3.37Å; R530-G532 VanDerWaalsContact C-N 3.3Å; R530-G532 PolarHBondContact O-N 3.29Å; R530-L533 PolarHBondContact O-N 3.19Å; R530-E534 IonicContact CZ-OE1 3.07Å; R530-E534 IonicContact CZ-OE2 3.46Å; R530-E534 IonicContact NE-OE1 3.95Å; R530-E534 VanDerWaalsContact NH1-CD 3.27Å; R530-E534 IonicContact NH1-OE1 2.74Å; R530-E534 PolarHBondContact NH1-OE1 3.39Å; R530-E534 IonicContact NH1-OE2 3.38Å; R530-E534 PolarHBondContact NH1-OE2 3Å; R530-E534 IonicContact NH2-OE1 2.67Å; R530-E534 PolarHBondContact NH2-OE1 3.09Å; R530-E534 IonicContact NH2-OE2 3.76Å; R530-E534 WeakPolarHBondContact O-CG 3.43Å; R530-E534 PolarHBondContact O-N 2.9Å
531I94.8Very high94.8Very high93 Ų93104.4 Ų104.448%0.47750%0.5SS..Hα-helixtrans-61.5-40.3177.7-69.1162.6000110.7M527 E528 E534 S535M527-I531 HydrophobicContact CE-CD1 4.38Å; M527-I531 HydrophobicContact CG-CD1 4.26Å; M527-I531 WeakPolarHBondContact O-CD1 3.23Å; M527-I531 VanDerWaalsContact O-CG1 3.26Å; M527-I531 WeakPolarHBondContact O-CG1 3.42Å; M527-I531 PolarHBondContact O-N 3.23Å; E528-I531 PolarHBondContact O-N 2.79Å; I531-E534 PolarHBondContact O-N 3.09Å; I531-S535 WeakPolarHBondContact O-CB 2.93Å; I531-S535 PolarHBondContact O-N 2.82Å
532G96.1Very high94.5Very high35 Ų35105.1 Ų105.136%0.36151%0.507SS..Hα-helixtrans-56.9-52.1173.100000112.5E528 L529 R530 S535 E536E528-G532 PolarHBondContact O-N 2.98Å; L529-G532 PolarHBondContact O-N 3.33Å; R530-G532 VanDerWaalsContact C-N 3.3Å; R530-G532 PolarHBondContact O-N 3.29Å; G532-S535 PolarHBondContact O-N 3.49Å; G532-S535 PolarHBondContact O-OG 3.26Å; G532-E536 PolarHBondContact O-N 3.42Å
533L95.1Very high94.1Very high105 Ų105105.3 Ų105.355%0.5552%0.516SS..Hα-helixtrans-63.9-40178.3-70.2174.9000113L529 R530 S535 E536 L537L529-L533 HydrophobicContact CD2-CD1 3.71Å; L529-L533 HydrophobicContact CD2-CG 4.16Å; L529-L533 WeakPolarHBondContact O-CG 3.44Å; L529-L533 PolarHBondContact O-N 3.18Å; R530-L533 PolarHBondContact O-N 3.19Å; L533-S535 VanDerWaalsContact C-N 3.34Å; L533-E536 PolarHBondContact O-N 3.46Å; L533-L537 WeakPolarHBondContact O-CB 3.37Å; L533-L537 WeakPolarHBondContact O-CG 3.38Å; L533-L537 PolarHBondContact O-N 3.12Å
534E94.4Very high93.6Very high81 Ų81104.9 Ų104.938%0.37952%0.518SS..Hα-helixtrans-62.5-41.4174.8-73.4-178.5143.900111.4R530 I531 E536 L537 D538R530-E534 IonicContact CZ-OE1 3.07Å; R530-E534 IonicContact CZ-OE2 3.46Å; R530-E534 IonicContact NE-OE1 3.95Å; R530-E534 VanDerWaalsContact NH1-CD 3.27Å; R530-E534 IonicContact NH1-OE1 2.74Å; R530-E534 PolarHBondContact NH1-OE1 3.39Å; R530-E534 IonicContact NH1-OE2 3.38Å; R530-E534 PolarHBondContact NH1-OE2 3Å; R530-E534 IonicContact NH2-OE1 2.67Å; R530-E534 PolarHBondContact NH2-OE1 3.09Å; R530-E534 IonicContact NH2-OE2 3.76Å; R530-E534 WeakPolarHBondContact O-CG 3.43Å; R530-E534 PolarHBondContact O-N 2.9Å; I531-E534 PolarHBondContact O-N 3.09Å; E534-E536 VanDerWaalsContact C-N 3.35Å; E534-E536 PolarHBondContact O-N 3.44Å; E534-L537 PolarHBondContact O-N 3.27Å; E534-D538 PolarHBondContact O-N 3.26Å
535S93.6Very high92.7Very high73 Ų73102.8 Ų102.851%0.5152%0.523SS..Hα-helixtrans-65.2-36.2176.979.20000113I531 G532 L533 R539I531-S535 WeakPolarHBondContact O-CB 2.93Å; I531-S535 PolarHBondContact O-N 2.82Å; G532-S535 PolarHBondContact O-N 3.49Å; G532-S535 PolarHBondContact O-OG 3.26Å; L533-S535 VanDerWaalsContact C-N 3.34Å; S535-R539 WeakPolarHBondContact O-CB 3.22Å; S535-R539 PolarHBondContact O-N 3.26Å
536E94.6Very high91Very high71 Ų71105.4 Ų105.433%0.33255%0.553SS.*Hα-helixtrans-73.9-38.9177.3-17257.8-155.100111.6G532 L533 E534 D538 R539 L540G532-E536 PolarHBondContact O-N 3.42Å; L533-E536 PolarHBondContact O-N 3.46Å; E534-E536 VanDerWaalsContact C-N 3.35Å; E534-E536 PolarHBondContact O-N 3.44Å; E536-D538 VanDerWaalsContact C-N 3.34Å; E536-D538 PolarHBondContact O-N 3.19Å; E536-R539 VanDerWaalsContact CD-NE 3.34Å; E536-R539 WeakPolarHBondContact O-CB 3.37Å; E536-R539 PolarHBondContact O-N 2.93Å; E536-R539 IonicContact OE1-CZ 3.74Å; E536-R539 VanDerWaalsContact OE1-CZ 3.29Å; E536-R539 IonicContact OE1-NE 2.83Å; E536-R539 PolarHBondContact OE1-NE 3.01Å; E536-R539 VanDerWaalsContact OE1-NE 3.1Å; E536-R539 IonicContact OE1-NH2 3.56Å; E536-R539 PolarHBondContact OE1-NH2 3.28Å; E536-R539 IonicContact OE2-CZ 3.21Å; E536-R539 IonicContact OE2-NE 3.17Å; E536-R539 PolarHBondContact OE2-NE 3.46Å; E536-R539 IonicContact OE2-NH2 2.65Å; E536-L540 WeakPolarHBondContact O-CG 3.19Å; E536-L540 PolarHBondContact O-N 3.5Å
537L93.5Very high90.7Very high93 Ų93105 Ų10549%0.48755%0.551SS.*Hα-helixtrans-60.6-41.2171.4-77.3173.4000112.2L533 E534 L540 R541L533-L537 WeakPolarHBondContact O-CB 3.37Å; L533-L537 WeakPolarHBondContact O-CG 3.38Å; L533-L537 PolarHBondContact O-N 3.12Å; E534-L537 PolarHBondContact O-N 3.27Å; L537-L540 PolarHBondContact O-N 3.14Å; L537-R541 WeakPolarHBondContact O-CB 3.16Å; L537-R541 VanDerWaalsContact O-CG 3.29Å; L537-R541 WeakPolarHBondContact O-CG 3.28Å; L537-R541 PolarHBondContact O-N 2.56Å
538D93.5Very high90.5Very high69 Ų69105.8 Ų105.837%0.36956%0.556SS.*Hα-helixtrans-71.5-29.6175.6-86-0.2000112.9E534 E536 R541 K542E534-D538 PolarHBondContact O-N 3.26Å; E536-D538 VanDerWaalsContact C-N 3.34Å; E536-D538 PolarHBondContact O-N 3.19Å; D538-R541 IonicContact OD1-CZ 3.93Å; D538-R541 IonicContact OD1-NH1 2.9Å; D538-R541 PolarHBondContact OD1-NH1 3.04Å; D538-K542 VanDerWaalsContact O-CD 3.31Å; D538-K542 WeakPolarHBondContact O-CD 3.13Å; D538-K542 VanDerWaalsContact O-CG 3.22Å; D538-K542 WeakPolarHBondContact O-CG 3.01Å; D538-K542 PolarHBondContact O-N 3.17Å; D538-K542 VanDerWaalsContact O-N 3.15Å
539R93.2Very high90.2Very high157 Ų157104.2 Ų104.259%0.59255%0.552SS**Hα-helixtrans-65-45.9170-165.9175.879.3100.22.5110.9S535 E536 K542 S543S535-R539 WeakPolarHBondContact O-CB 3.22Å; S535-R539 PolarHBondContact O-N 3.26Å; E536-R539 VanDerWaalsContact CD-NE 3.34Å; E536-R539 WeakPolarHBondContact O-CB 3.37Å; E536-R539 PolarHBondContact O-N 2.93Å; E536-R539 IonicContact OE1-CZ 3.74Å; E536-R539 VanDerWaalsContact OE1-CZ 3.29Å; E536-R539 IonicContact OE1-NE 2.83Å; E536-R539 PolarHBondContact OE1-NE 3.01Å; E536-R539 VanDerWaalsContact OE1-NE 3.1Å; E536-R539 IonicContact OE1-NH2 3.56Å; E536-R539 PolarHBondContact OE1-NH2 3.28Å; E536-R539 IonicContact OE2-CZ 3.21Å; E536-R539 IonicContact OE2-NE 3.17Å; E536-R539 PolarHBondContact OE2-NE 3.46Å; E536-R539 IonicContact OE2-NH2 2.65Å; R539-K542 PolarHBondContact O-N 3.49Å; R539-S543 PolarHBondContact O-N 2.94Å
540L91.3Very high89.9Confident83 Ų83103.8 Ų103.844%0.43555%0.55SS.*Hα-helixtrans-62.8-48.5176.5-71.6169000111.6E536 L537 K542 S543 T544E536-L540 WeakPolarHBondContact O-CG 3.19Å; E536-L540 PolarHBondContact O-N 3.5Å; L537-L540 PolarHBondContact O-N 3.14Å; L540-K542 VanDerWaalsContact C-N 3.29Å; L540-K542 PolarHBondContact O-N 2.8Å; L540-S543 WeakPolarHBondContact CA-OG 3.43Å; L540-S543 CarbonylContact O-C 3.54Å; L540-S543 WeakPolarHBondContact O-CA 3.48Å; L540-S543 PolarHBondContact O-N 3.35Å; L540-S543 PolarHBondContact O-OG 3.2Å; L540-T544 PolarHBondContact O-N 3.38Å; L540-T544 PolarHBondContact O-OG1 3.2Å
541R92.4Very high89.5Confident159 Ų159101.5 Ų101.560%0.655%0.552SS**Hα-helixtrans-55-41.3175.8-76.8168.9174.5162-3113.1L537 D538 T544 S545L537-R541 WeakPolarHBondContact O-CB 3.16Å; L537-R541 VanDerWaalsContact O-CG 3.29Å; L537-R541 WeakPolarHBondContact O-CG 3.28Å; L537-R541 PolarHBondContact O-N 2.56Å; D538-R541 IonicContact OD1-CZ 3.93Å; D538-R541 IonicContact OD1-NH1 2.9Å; D538-R541 PolarHBondContact OD1-NH1 3.04Å; R541-T544 WeakPolarHBondContact CA-OG1 3.08Å; R541-T544 PolarHBondContact O-N 3.35Å; R541-T544 PolarHBondContact O-OG1 3.27Å; R541-S545 WeakPolarHBondContact O-CB 3.45Å; R541-S545 PolarHBondContact O-N 3.12Å
542K90.1Very high89.1Confident150 Ų150102.1 Ų102.165%0.65256%0.557SS**Hα-helixtrans-65.6-39.4175.3-72.3163.4-171.4162.80111.6D538 R539 L540 S545D538-K542 VanDerWaalsContact O-CD 3.31Å; D538-K542 WeakPolarHBondContact O-CD 3.13Å; D538-K542 VanDerWaalsContact O-CG 3.22Å; D538-K542 WeakPolarHBondContact O-CG 3.01Å; D538-K542 PolarHBondContact O-N 3.17Å; D538-K542 VanDerWaalsContact O-N 3.15Å; R539-K542 PolarHBondContact O-N 3.49Å; L540-K542 VanDerWaalsContact C-N 3.29Å; L540-K542 PolarHBondContact O-N 2.8Å; K542-S545 PolarHBondContact O-N 2.92Å
543S86.7Confident88.6Confident75 Ų75106.9 Ų106.952%0.52457%0.571SS.*Hα-helixtrans-70.5-28176.9710000114.3R539 L540R539-S543 PolarHBondContact O-N 2.94Å; L540-S543 WeakPolarHBondContact CA-OG 3.43Å; L540-S543 CarbonylContact O-C 3.54Å; L540-S543 WeakPolarHBondContact O-CA 3.48Å; L540-S543 PolarHBondContact O-N 3.35Å; L540-S543 PolarHBondContact O-OG 3.2Å
544T84.7Confident88.1Confident113 Ų113107 Ų10769%0.69357%0.572SS**THydrogen-bonded Turntrans-85-6.6176.453.90000114.2L540 R541L540-T544 PolarHBondContact O-N 3.38Å; L540-T544 PolarHBondContact O-OG1 3.2Å; R541-T544 WeakPolarHBondContact CA-OG1 3.08Å; R541-T544 PolarHBondContact O-N 3.35Å; R541-T544 PolarHBondContact O-OG1 3.27Å
545S77.2Confident87.6Confident107 Ų107109.2 Ų109.275%0.74859%0.589SS**THydrogen-bonded Turntrans-104.34.1-179.4-174.40000113.1R541 K542R541-S545 WeakPolarHBondContact O-CB 3.45Å; R541-S545 PolarHBondContact O-N 3.12Å; K542-S545 PolarHBondContact O-N 2.92Å
546S60.4Low87Confident160 Ų160112.5 Ų112.5100%1.11960%0.596SS**  trans-115.80176-176.60000111.1

Retrieved 546 of 546 residues in 67.5 ms (Link to these results)