A0A096LSM8_POEFO Loading...

SAM domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LSM8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,188 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
1M34.6Very low35.5Very low231 Ų231138 Ų138100%1.13882%0.818SS**  0112.50-69.8159.2173.100105.6
2S33.6Very low35.1Very low112 Ų112133.2 Ų133.278%0.78382%0.819SS**  75.9130.184-480000110
3S35.5Very low34.6Very low122 Ų122128.6 Ų128.685%0.85382%0.815SS**  cis-144.7176.814.7-60.10000111.6
4G36.3Very low36Very low63 Ų63127.7 Ų127.765%0.64981%0.81SS**  trans-102-160.5169.300000113.6
5L40.6Very low35.8Very low167 Ų167128.3 Ų128.387%0.87481%0.812SS**  trans78.6143.3-177.9-47.7176.1000114
6T40.1Very low35.7Very low107 Ų107127.3 Ų127.366%0.65681%0.81SS**  cis-165.9157.1-5.512.40000111.6
7N34.1Very low37.1Very low160 Ų160126.8 Ų126.886%0.85681%0.808SS**  trans64.6156.6157.6-56.8-11.3000118.8
8G33.5Very low38.1Very low65 Ų65125.4 Ų125.467%0.6780%0.8SS**  cis158145.9-11.800000113.8
9S34.3Very low37.7Very low117 Ų117127.1 Ų127.182%0.81880%0.8SS**  trans68.6151.8170.6-67.10000117.6
10T34.9Very low37.7Very low124 Ų124127 Ų12776%0.76180%0.799SS**  cis-159.5142-4.29.40000113.6
11R33.4Very low38.4Very low250 Ų250125.6 Ų125.694%0.94379%0.791SS**  trans53120.5130.7-160.8-174.2-138.8-144.85.9121.7
12G29.9Very low38.4Very low80 Ų80123 Ų12383%0.82577%0.774SS**  trans163.7131.9154.600000117
13G28.6Very low38.5Very low74 Ų74125.2 Ų125.276%0.76377%0.771SS**  trans-132.1-160.5160.300000108.9
14P55Low38.4Very low116 Ų116125 Ų12575%0.75377%0.765SS**  cis-143.6-157.56.241.8-20.1000114.9
15T31.9Very low39Very low136 Ų136127.9 Ų127.983%0.83477%0.772SS**  trans78.2156.9153.642.80000122.8
16S35.1Very low38.6Very low112 Ų112124.2 Ų124.278%0.78377%0.766SS**  trans-130.5-168.4-169.8-25.20000110.8
17P58.8Low38.6Very low120 Ų120124.7 Ų124.778%0.77977%0.773SS**  cis-121.3-112.2-12.823.24.6000110.4
18P55.1Low40.1Very low102 Ų102122.9 Ų122.966%0.66277%0.77SS**  cis-136.3-165.8-38.940.5-20.1000116.3
19I31.1Very low41.2Very low157 Ų157125.6 Ų125.681%0.80578%0.777SS**  trans88.1158.7157.3-67.2169.8000120
20T38.1Very low41.1Very low125 Ų125123.2 Ų123.277%0.76777%0.771SS**  trans-110.8-162.6-155.953.50000112.8
21P52.7Low41.1Very low98 Ų98127.9 Ų127.964%0.63677%0.774SS**  cis-151.8-177.18.747.5-26.5000121.5
22F33.1Very low41.1Very low177 Ų177123 Ų12378%0.77676%0.762SS**  trans64.6158.2150.6-72.2-51.9000121.9
23H35.3Very low41.1Very low157 Ų157123.3 Ų123.373%0.72776%0.757SS**  cis-150.2164.71.3-128.6-60.8000113.1
24T34.5Very low41.2Very low119 Ų119128.8 Ų128.873%0.7376%0.763SS**  trans-88.6160.7-177.9-90000116
25P49.6Very low40.2Very low123 Ų123129.8 Ų129.880%0.79976%0.757SS**  -140.7-175.794.816.48.1000113.5
26A32.4Very low40.7Very low90 Ų90129 Ų12974%0.74476%0.755SS**  cis-167.9-179-25.500000110.5
27S39.8Very low40.8Very low116 Ų116130.9 Ų130.981%0.81175%0.751SS**  trans-158.5-150.4172.7-47.40000108.4
28P65.1Low40.2Very low122 Ų122131 Ų13179%0.79275%0.751SS**  cis-116.5-134.9-12.442.3-23.2000109.7
29P55.4Low39.1Very low123 Ų123133.1 Ų133.180%0.79976%0.762SS**  cis-123.6-166.3-29.439.5-21.5000112.7
30G33.1Very low39Very low67 Ų67129.1 Ų129.169%0.69176%0.76SS**  cis149.1147.3-22.800000116.9
31R35.6Very low38.8Very low222 Ų222129.8 Ų129.884%0.83876%0.763SS**  trans79.8152.3162.2-60.6-172.2171.4-134.93.6118.8
32Q31.9Very low38.2Very low146 Ų146131.6 Ų131.668%0.68278%0.775SS**  cis-161.9153.7-10.1-122175.3-36.100113.2
33A31.1Very low37.9Very low87 Ų87126.8 Ų126.872%0.71978%0.775SS**  trans51.5168.7144.800000120.7
34Q30.9Very low37.5Very low190 Ų190128.1 Ų128.189%0.88879%0.787SS**  cis-155.3173.92.4-145.115716.600110.9
35Q33.4Very low37.1Very low137 Ų137127 Ų12764%0.6479%0.789SS**  trans-115.3149.6175.6-112.5-95.43.200109.8H37Q35-H37 PolarHBondContact NE2-NE2 3.5Å; Q35-H37 PolarHBondContact OE1-CD2 2.8Å
36P42.8Very low35.9Very low120 Ų120132.8 Ų132.878%0.77980%0.795SS**  -154169.5103.439.9-21.9000117.4
37H36.4Very low35.6Very low151 Ų151132.8 Ų132.870%0.69980%0.795SS**  trans-95160.2160.8-64.8-93.5000110.8Q35Q35-H37 PolarHBondContact NE2-NE2 3.5Å; Q35-H37 PolarHBondContact OE1-CD2 2.8Å
38P47Very low34.9Very low121 Ų121133.7 Ų133.779%0.78679%0.791SS**  -153.2164.488.439.6-20.1000118.7
39V31.4Very low33.1Very low148 Ų148136.1 Ų136.190%0.89779%0.792SS**  trans1.4136.9152.5-174.30000120.7
40G29.1Very low31.8Very low73 Ų73135.6 Ų135.675%0.75379%0.791SS**  trans-175.4111.7157.400000116.6
41T33.2Very low31.5Very low138 Ų138137.1 Ų137.185%0.84780%0.798SS**  trans-136.8144.3160.950.70000107.3
42P41.3Very low31.2Very low137 Ų137132 Ų13289%0.8980%0.796SS**  -152.2-165.271.841.7-21000114.7
43G25.6Very low31.5Very low75 Ų75130.6 Ų130.677%0.77380%0.799SS**  trans147.7133158.200000116.5
44L28.1Very low31.1Very low185 Ų185132.7 Ų132.797%0.96980%0.803SS**  trans-135118179.2-94167000112.3
45A24.8Very low31Very low95 Ų95133.5 Ų133.579%0.78580%0.798SS**  trans-175.5127.7151.600000106.9
46R25.6Very low30.7Very low245 Ų245133.6 Ų133.693%0.92580%0.798SS**  cis79.2132.532.4-162.6179.4-172.9-165.71.7114
47A25Very low30.1Very low90 Ų90138.2 Ų138.274%0.74480%0.8SS**  trans80.4140.4168.300000116.7
48N25.6Very low29.8Very low135 Ų135137.6 Ų137.672%0.72281%0.807SS**  cis-168.7165.7-22.4-142-8000112.4
49Q28.2Very low28.9Very low174 Ų174138.8 Ų138.881%0.81381%0.812SS**  trans72.5159.1161.1-57.7157.7129.800115.9
50S27.1Very low29Very low111 Ų111140.4 Ų140.478%0.77681%0.81SS**  cis-146.3159.614.561.30000116.1
51A26.2Very low29.2Very low100 Ų100145.5 Ų145.583%0.82681%0.814SS**  trans75.7116.8150.900000120.8
52S30Very low29.3Very low115 Ų115144.4 Ų144.480%0.80481%0.807SS**  trans-90.5-177.6162.2-43.40000111
53P37.7Very low29.1Very low116 Ų116144.7 Ų144.775%0.75380%0.801SS**  -155.4163.599.939.5-22.1000117.9
54V24.5Very low29.7Very low131 Ų131148.1 Ų148.179%0.79480%0.8SS**  trans64.9144.9143.2162.90000118.8
55R28.8Very low30Very low207 Ų207146.7 Ų146.778%0.78179%0.793SS**  cis-155.9150.3-23.6-101.3179.2172.7171.7-1.1105.2
56Q27.2Very low30.3Very low139 Ų139145.1 Ų145.165%0.6579%0.786SS**  79130.551.7-150.4-161.236.400115.5
57R29Very low30.9Very low216 Ų216143.6 Ų143.682%0.81579%0.786SS**  trans78.8130177.8-52.5-174.5-176.7-159.7-3.3114
58V29.4Very low31.3Very low139 Ų139143 Ų14384%0.84279%0.789SS**  cis86.8108.836176.60000113.8
59T28.9Very low31.8Very low145 Ų145145.4 Ų145.489%0.8980%0.801SS**  trans-158.7157.1150.518.30000110.7
60Q33.6Very low32.5Very low183 Ų183147 Ų14786%0.85581%0.805SS**  trans-123.5-177.8170.2-104.7-155.282.300108.9
61Q34.2Very low33Very low180 Ų180145 Ų14584%0.84180%0.801SS**  trans74.8159.5170.9-53.2-176.6-1400114.4
62T35.4Very low34Very low115 Ų115144.5 Ų144.571%0.70679%0.792SS**  cis-160.31626.1-128.90000108.1
63L37.2Very low34.8Very low143 Ų143142.7 Ų142.775%0.74979%0.791SS**  cis-170.2-164.9-28.3-125.1176.2000107.5
64L37.2Very low35.4Very low147 Ų147144.8 Ų144.877%0.7779%0.791SS**  trans72.7138.2163.3-55.5176.5000117.6
65L35.1Very low36.4Very low155 Ų155144 Ų14481%0.81278%0.782SS**  cis-134.7162.8-17.7-63.199.2000107.7
66G30.6Very low37.3Very low62 Ų62141.8 Ų141.864%0.63978%0.781SS**  cis148.3135.7-8.500000112.6
67K37.2Very low38.5Very low212 Ų212140.2 Ų140.292%0.92278%0.78SS**  trans69.1140.9173.6-45.9163.9-172.3175.20114.6
68G33.9Very low39.5Very low79 Ų79136 Ų13681%0.81477%0.774SS**  cis144.985.8-5.200000112.2
69L35.6Very low40.4Very low184 Ų184135.6 Ų135.696%0.96377%0.766SS**  trans-113.1140.2175.2-80.4173.1000112
70K44.7Very low41.2Very low209 Ų209138.2 Ų138.291%0.90976%0.76SS**  trans-113.777.7-167.5-172.3-179.6179.3-176.10109.6
71G36.3Very low41.8Very low67 Ų67132.3 Ų132.369%0.69174%0.742SS**  trans-69.1156.5178.500000113.3
72S48Very low42.3Very low91 Ų91131.2 Ų131.264%0.63674%0.737SS**  trans-77.5170.4-179.363.50000112.5Q74S72-Q74 PolarHBondContact O-N 3.27Å
73G46.3Very low42.8Very low76 Ų76133.2 Ų133.278%0.78474%0.74SS**THydrogen-bonded Turntrans-69.210.7-16800000117.6
74Q50.8Low43.3Very low160 Ų160134.1 Ų134.175%0.74875%0.745SS**THydrogen-bonded Turntrans-97.1-39.7-173.6-147.7158.511.800112.8S72 Q76 V77S72-Q74 PolarHBondContact O-N 3.27Å; Q74-Q76 PolarHBondContact O-N 2.86Å; Q74-V77 PolarHBondContact O-N 3.08Å
75D45.2Very low43.7Very low114 Ų114135.8 Ų135.861%0.6175%0.749SS**Hα-helixtrans-68.3-28.4-176.4-72.6-52.3000114.5V77 L78 L79D75-V77 PolarHBondContact O-N 2.89Å; D75-L78 PolarHBondContact O-N 2.94Å; D75-L79 PolarHBondContact O-N 3.37Å
76Q47.8Very low44.1Very low162 Ų162132.8 Ų132.876%0.75774%0.741SS**Hα-helixtrans-68.8-14.4177.9-87.9-154.283.200114.2Q74Q74-Q76 PolarHBondContact O-N 2.86Å
77V51.5Low44.2Very low105 Ų105138.3 Ų138.364%0.63675%0.754SS**Hα-helixtrans-75.9-42.7174-176.30000110.3Q74 D75 L79 R80 A81Q74-V77 PolarHBondContact O-N 3.08Å; D75-V77 PolarHBondContact O-N 2.89Å; V77-L79 PolarHBondContact O-N 3.02Å; V77-R80 PolarHBondContact O-N 3.19Å; V77-A81 PolarHBondContact O-N 3.43Å
78L50.9Low44.2Very low129 Ų129134.5 Ų134.568%0.67575%0.749SS**Hα-helixtrans-66.2-40.9-175.2-164.764.4000111.9D75 R80 A81D75-L78 PolarHBondContact O-N 2.94Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 3.18Å; L78-A81 WeakPolarHBondContact O-CB 3.27Å; L78-A81 PolarHBondContact O-N 2.86Å; L78-A81 VanDerWaalsContact O-N 3.16Å
79L49Very low44.2Very low129 Ų129139 Ų13968%0.67575%0.754SS**Hα-helixtrans-70.2-17.7-179.3-133.373.5000114.3D75 V77D75-L79 PolarHBondContact O-N 3.37Å; V77-L79 PolarHBondContact O-N 3.02Å
80R44.9Very low44.3Very low201 Ų201141.4 Ų141.476%0.75875%0.75SS**Hα-helixtrans-87.4-24.5170.9-89.2-175.8170.5156.80.8113.7V77 L78 Q82V77-R80 PolarHBondContact O-N 3.19Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 3.18Å; R80-Q82 VanDerWaalsContact C-N 3.34Å
81A47Very low44.1Very low59 Ų59136.7 Ų136.749%0.48874%0.741SS.*Hα-helixtrans-67.1-35.2176.500000112.4V77 L78 M83V77-A81 PolarHBondContact O-N 3.43Å; L78-A81 WeakPolarHBondContact O-CB 3.27Å; L78-A81 PolarHBondContact O-N 2.86Å; L78-A81 VanDerWaalsContact O-N 3.16Å; A81-M83 PolarHBondContact O-N 3.23Å
82Q44.5Very low44.6Very low156 Ų156139 Ų13973%0.72974%0.744SS**THydrogen-bonded Turntrans-76.6-17-171.8-154.3171.533.200114.9R80R80-Q82 VanDerWaalsContact C-N 3.34Å
83M46Very low44.5Very low158 Ų158140.2 Ų140.278%0.77875%0.749SS**THydrogen-bonded Turntrans-9912.2-178.6-84-155.6-82.200115.6A81A81-M83 PolarHBondContact O-N 3.23Å
84L47.3Very low44Very low161 Ų161143.1 Ų143.184%0.84375%0.754SS**SBendtrans-117.510.4176.6-79.5172.5000115.2
85Q45.1Very low43.2Very low183 Ų183138.9 Ų138.986%0.85575%0.753SS**SBendtrans-106.422.3179.3-63.8-167.5-4.800114.4
86S42.8Very low42.5Very low92 Ų92139.8 Ų139.864%0.64376%0.763SS**  trans-145.258.6-172.450.80000115.4
87L34.3Very low41.6Very low177 Ų177140.1 Ų140.193%0.92777%0.769SS**  trans-121.1137153.1-79.7178.5000110.8
88T36.4Very low40.6Very low132 Ų132141 Ų14181%0.8178%0.775SS**PPolyproline II helixtrans-101.8138.2-156.6410000113.8
89L33.9Very low40Very low175 Ų175141.8 Ų141.892%0.91678%0.778SS**PPolyproline II helixtrans-67.8130.6159.6-76.2170.5000109.3
90R37.8Very low39.3Very low234 Ų234141 Ų14188%0.88378%0.781SS**PPolyproline II helixtrans-86.3128.5-178-164.7179.3-165.5163.53109.3
91P39.9Very low39.1Very low110 Ų110137.3 Ų137.371%0.71478%0.783SS**PPolyproline II helixtrans-69.3143.4177.228.7-34.2000111
92P47.3Very low38.6Very low116 Ų116139.9 Ų139.975%0.75380%0.797SS**PPolyproline II helixtrans-73.6155.5171.731.8-34.7000111.6
93P45.5Very low38Very low115 Ų115140.5 Ų140.575%0.74781%0.805SS**PPolyproline II helixtrans-72.8157.6174.432-35.5000112
94P35.5Very low37.3Very low138 Ų138144.9 Ų144.990%0.89681%0.813SS**PPolyproline II helixtrans-70.7133.1176.729.8-34.3000111.4
95G34Very low36.5Very low70 Ų70145 Ų14572%0.72281%0.814SS**  trans-129.2143.6175.200000111.5
96T30.2Very low35.8Very low133 Ų133145.8 Ų145.882%0.81681%0.814SS**  trans-64.4130.5-174.2-510000112.7T98T96-T98 PolarHBondContact O-N 2.8Å
97L30.4Very low35.4Very low169 Ų169146.8 Ų146.889%0.88582%0.819SS**  trans-76.8105.3165.9-72.5174.2000109.8
98T29.9Very low35.6Very low125 Ų125144.5 Ų144.577%0.76781%0.814SS**PPolyproline II helixtrans-83.6129168.2-55.50000109T96T96-T98 PolarHBondContact O-N 2.8Å
99I37.4Very low35.2Very low144 Ų144144 Ų14474%0.73882%0.816SS**PPolyproline II helixtrans-82.9125.9-177.8-59.8168.7000109.5P101I99-P101 WeakPolarHBondContact O-CD 3.44Å
100P36.1Very low35.1Very low113 Ų113141.3 Ų141.373%0.73481%0.812SS**PPolyproline II helixtrans-77.1122.4169.130.1-31.8000110.6S102P100-S102 PolarHBondContact O-N 2.77Å; P100-S102 VanDerWaalsContact O-N 3.12Å
101P39.4Very low35Very low124 Ų124134.5 Ų134.581%0.80581%0.805SS**  trans-87.678.3-172.934.5-35.3000112.4I99I99-P101 WeakPolarHBondContact O-CD 3.44Å
102S37.9Very low35.1Very low112 Ų112134.8 Ų134.878%0.78381%0.808SS**  trans-159.876.5171.2-83.10000114.8P100P100-S102 PolarHBondContact O-N 2.77Å; P100-S102 VanDerWaalsContact O-N 3.12Å
103L30.2Very low34.6Very low170 Ų170135.1 Ų135.189%0.8981%0.81SS**  trans-145.790.5152.4-80.2-174.2000109.7L105L103-L105 PolarHBondContact O-N 3.07Å
104R32Very low34.2Very low249 Ų249135.6 Ų135.694%0.9481%0.813SS**  trans-85.194.8174.5-165178.1-168.7-179.24.6109.2K106R104-K106 PolarHBondContact O-N 2.98Å
105L29.6Very low34.1Very low165 Ų165137 Ų13786%0.86481%0.812SS**  trans-54.5132.3175.4-66.2171.9000110.5L103L103-L105 PolarHBondContact O-N 3.07Å
106K31.1Very low34Very low198 Ų198139.1 Ų139.186%0.86182%0.816SS**  trans-122124.4174.4-166169-176.2177.80108.4R104R104-K106 PolarHBondContact O-N 2.98Å
107P35.2Very low34.3Very low114 Ų114143.6 Ų143.674%0.7482%0.818SS**  trans-68.2158-176.927.6-34.3000112.1
108P37.4Very low34.8Very low128 Ų128140.9 Ų140.983%0.83181%0.81SS**  trans-75155.7-169.331.3-36.8000113.2
109S28.5Very low34.9Very low123 Ų123140.5 Ų140.586%0.8681%0.813SS**  trans-149.5107.8166.8-171.80000110.1
110S32.5Very low34.6Very low118 Ų118137.7 Ų137.783%0.82581%0.811SS**  trans-156.591.617158.10000109.1
111A36Very low34.9Very low90 Ų90138 Ų13874%0.74481%0.813SS**  trans-128151.117100000108.1
112P41.8Very low34.5Very low117 Ų117137.6 Ų137.676%0.7681%0.808SS**PPolyproline II helixtrans-71.2158.6-162.327.3-35.5000114.3
113P36.2Very low34Very low123 Ų123141.7 Ų141.780%0.79981%0.812SS**PPolyproline II helixtrans-70.7133.4-177.528.7-34.9000112.4
114P36.4Very low34.6Very low125 Ų125139 Ų13981%0.81280%0.804SS**PPolyproline II helixtrans-85.5152174.334.3-34.3000112.4
115L33.3Very low35.8Very low166 Ų166132.5 Ų132.587%0.86980%0.795SS**PPolyproline II helixtrans-82.8153.1174.4-69.6168.1000112.6
116S33.1Very low35.7Very low116 Ų116132.9 Ų132.981%0.81180%0.797SS**  trans17.7116.8157.6-54.60000120
117R35.5Very low35.9Very low227 Ų227134.5 Ų134.586%0.85780%0.797SS**  trans-94.2151.3171.6-169.9-173.1-170.3-173.46.4111.8
118P41.8Very low36.3Very low112 Ų112135 Ų13573%0.72780%0.801SS**  trans-136.3143.5137.535.3-22.7000115.7
119S32.3Very low36.2Very low117 Ų117138.3 Ų138.382%0.81880%0.797SS**  trans61.6163.4150.5-58.10000122.7
120A29.9Very low36.3Very low85 Ų85138.5 Ų138.570%0.70280%0.795SS**  trans-124.1178.6-179.300000110.1
121P43.2Very low36.4Very low119 Ų119139.9 Ų139.977%0.77379%0.789SS**  -132154.561.610.716000115.1
122V29.8Very low37.2Very low116 Ų116140.2 Ų140.270%0.70378%0.783SS**  81.3137.577.2-170.80000116.3
123F28.8Very low36.5Very low197 Ų197140 Ų14086%0.86478%0.784SS**  trans98.5127.5169.7-69.7-65.7000121.3
124P43Very low36.4Very low113 Ų113138.4 Ų138.473%0.73478%0.782SS**  trans-116.6-159.7164.745.7-34.6000110.6
125P56.1Low36Very low114 Ų114138.7 Ų138.774%0.7478%0.782SS**  cis-119.3-166.3-28.540.7-26.4000111.3
126L28.8Very low35.8Very low173 Ų173134.9 Ų134.991%0.90677%0.774SS**  trans-166.4175136.9-108.7170.8000114.1
127R33.7Very low35.5Very low231 Ų231134.9 Ų134.987%0.87277%0.769SS**  trans-117.1176.2-171.7-106.1178.4-175172.12.5109.8
128P44.9Very low35.1Very low126 Ų126132.4 Ų132.482%0.81877%0.767SS**  cis-145.9-171.436.142.5-20.4000118.5
129R34.2Very low34.6Very low196 Ų196132.3 Ų132.374%0.7477%0.769SS**  trans-99.8156.4-178.3173.2-171.4-178.7-164.10.5110.3Q131R129-Q131 HydrophobicContact CG-CB 4.46Å; R129-Q131 HydrophobicContact CG-CG 4.46Å
130P31.9Very low34.9Very low127 Ų127131.7 Ų131.783%0.82576%0.762SS**  -132.5151.8128.936.7-27.7000114.8
131Q33.3Very low34.8Very low147 Ų147133.9 Ų133.969%0.68777%0.767SS**  trans-169.3169.7-178.8-83.7-77.4-33.800104.6R129R129-Q131 HydrophobicContact CG-CB 4.46Å; R129-Q131 HydrophobicContact CG-CG 4.46Å
132P53.3Low34.4Very low97 Ų97132.5 Ų132.563%0.6377%0.766SS**  cis-135.3-169.43.243.9-27.1000114.2
133S27.7Very low34.7Very low112 Ų112133 Ų13378%0.78377%0.771SS**  -170.7114.1129.4-77.40000107.8
134A33.1Very low34.7Very low91 Ų91126.9 Ų126.975%0.75277%0.765SS**  71.8126.871.200000111.9
135T28.7Very low34.3Very low131 Ų131133.6 Ų133.680%0.80478%0.775SS**  cis-129.1155.518.2390000111.3
136A29.4Very low33.3Very low85 Ų85136 Ų13670%0.70278%0.776SS**  73.8137.951.700000113.1
137T26.8Very low33.4Very low117 Ų117135.7 Ų135.772%0.71878%0.775SS**  cis-155.6146.730-530000114.8
138E26.1Very low33.4Very low174 Ų174129.8 Ų129.881%0.81377%0.768SS**  trans65.1157154.7-80.2177.198.500127.1
139S31.2Very low32.8Very low110 Ų110129.9 Ų129.977%0.76977%0.766SS**  trans-117.9-134.6167.2-48.30000107.2
140P39.7Very low33.3Very low104 Ų104125.6 Ų125.668%0.67576%0.764SS**  cis-138-163-1.939-15.8000114.9
141T26.6Very low34.1Very low131 Ų131125 Ų12580%0.80476%0.76SS**  trans81.8135.2152.9-56.10000119.5
142A34.9Very low34.3Very low90 Ų90123.8 Ų123.874%0.74477%0.765SS**  trans-114147.916900000111
143P36.1Very low33.4Very low126 Ų126125.8 Ų125.882%0.81878%0.776SS**  -126.4158.1125.736.3-29.9000110.5
144G30.1Very low33.7Very low70 Ų70128.6 Ų128.672%0.72278%0.781SS**  cis11177.214.400000110.8
145R34.9Very low33.8Very low254 Ų254135.2 Ų135.296%0.95879%0.788SS**  trans-159.4139.6164.4-118.1166.2-175.4-177.8-0.6113
146H34Very low34.2Very low165 Ų165133.8 Ų133.876%0.76478%0.784SS**  trans-67.6143.8176.1-85.2-141.4000112.4
147L31.3Very low34.8Very low166 Ų166135.5 Ų135.587%0.86979%0.787SS**  trans-139.6106.5131.5-79.7-176000108.7V149L147-V149 PolarHBondContact O-N 3.18Å
148S33.3Very low35Very low106 Ų106136.6 Ų136.674%0.74179%0.794SS**  trans-73.8111.9172.5-58.20000109.6
149V33.3Very low35.3Very low128 Ų128139.7 Ų139.778%0.77680%0.798SS**PPolyproline II helixtrans-103.5122.5171.2-178.80000108.2L147L147-V149 PolarHBondContact O-N 3.18Å
150P43.6Very low35.3Very low106 Ų106139 Ų13969%0.68880%0.799SS**PPolyproline II helixtrans-69.6151.4-177.428.6-35000111.9
151P48.6Very low35.1Very low114 Ų114139.7 Ų139.774%0.7480%0.801SS**PPolyproline II helixtrans-64.7139.717627.7-34.4000110.7T153P151-T153 PolarHBondContact O-N 3.19Å
152P38.3Very low35.4Very low123 Ų123139.4 Ų139.480%0.79980%0.801SS**PPolyproline II helixtrans-67.3118.3-176.826.3-33.9000111.5L154P152-L154 PolarHBondContact O-N 3.04Å
153T33.4Very low35.3Very low138 Ų138142.4 Ų142.485%0.84780%0.804SS**PPolyproline II helixtrans-62.1117.3174.850.90000110.7P151P151-T153 PolarHBondContact O-N 3.19Å
154L34.7Very low35.3Very low172 Ų172147.5 Ų147.590%0.90181%0.807SS**PPolyproline II helixtrans-69.7141.9177.1-76.8175.8000112.1P152P152-L154 PolarHBondContact O-N 3.04Å
155Y34.1Very low35.3Very low230 Ų230150 Ų15090%0.90281%0.811SS**PPolyproline II helixtrans-62.5131.6-173.4-135.9-108.3000112.4
156S37Very low35Very low101 Ų101148.9 Ų148.971%0.70681%0.806SS**PPolyproline II helixtrans-90.7121.6176.9-172.90000111.1V158S156-V158 PolarHBondContact O-N 3.06Å
157P42Very low34.9Very low120 Ų120149.2 Ų149.278%0.77981%0.813SS**PPolyproline II helixtrans-76.2121.2175.429.7-32.4000111.2
158V31Very low34.8Very low140 Ų140149.4 Ų149.485%0.84881%0.814SS**PPolyproline II helixtrans-60.6139.1-177.6175.10000112.4S156 A160S156-V158 PolarHBondContact O-N 3.06Å; V158-A160 PolarHBondContact O-N 2.75Å
159R33.1Very low34.8Very low239 Ų239149.6 Ų149.690%0.90282%0.815SS**PPolyproline II helixtrans-62.6119.6171.1-79.1179.2167.2178.7-2.8111.4
160A30.6Very low34.9Very low95 Ų95149.8 Ų149.879%0.78582%0.819SS**PPolyproline II helixtrans-99143.3158.900000110.3V158V158-A160 PolarHBondContact O-N 2.75Å
161V35.3Very low34.1Very low120 Ų120150.3 Ų150.373%0.72783%0.825SS**PPolyproline II helixtrans-98.8123.8-171.4177.70000112.3L163V161-L163 HydrophobicContact CG1-CD2 4.45Å
162P34.5Very low33.3Very low124 Ų124150.5 Ų150.581%0.80583%0.829SS**  trans-83113.2160.8-7.826.4000110.1
163L32.4Very low33.1Very low154 Ų154154 Ų15481%0.80683%0.834SS**PPolyproline II helixtrans-70.6150.6170.7-69.9170.5000111V161 P165V161-L163 HydrophobicContact CG1-CD2 4.45Å; L163-P165 WeakPolarHBondContact O-CD 3.43Å
164R34.8Very low32.9Very low232 Ų232159 Ų15988%0.87584%0.838SS**PPolyproline II helixtrans-71.2134.6175.1-69.1174.4172.1154.3-4.1111.5
165P30.7Very low32.6Very low124 Ų124154.8 Ų154.881%0.80583%0.828SS**PPolyproline II helixtrans-87.5132142.6-8.227.3000109.2L163L163-P165 WeakPolarHBondContact O-CD 3.43Å
166R29.6Very low32.4Very low230 Ų230150.4 Ų150.487%0.86883%0.825SS**PPolyproline II helixtrans-84.2146.5164.2-99.9-175170.2173.7-2.8109.4
167L30.5Very low32.3Very low172 Ų172151.7 Ų151.790%0.90183%0.829SS**PPolyproline II helixtrans-65129.8162.7-71.2164.3000109.6
168L30.4Very low32.4Very low170 Ų170152 Ų15289%0.8983%0.831SS**  trans-136.9147.3154.1-80.7178.7000109.1
169S33.6Very low32.2Very low109 Ų109156.7 Ų156.776%0.76283%0.834SS**PPolyproline II helixtrans-73.6161.8-172.9-55.90000112.8
170P33.8Very low32.1Very low132 Ų132154.4 Ų154.486%0.85783%0.833SS**PPolyproline II helixtrans-62.2140.9171.327.5-35.9000111.4
171S28Very low32.1Very low118 Ų118154.4 Ų154.483%0.82583%0.828SS**PPolyproline II helixtrans-92.8142.9168.956.30000111
172S32.3Very low31.8Very low117 Ų117156.9 Ų156.982%0.81884%0.836SS**  trans-67.4177.2-176.8-54.20000114.7
173H33.4Very low31.7Very low197 Ų197159.3 Ų159.391%0.91284%0.836SS**SBendtrans-57.1162.1172.6-78.1-111.3000113.7
174R29.7Very low32.3Very low242 Ų242157.2 Ų157.291%0.91383%0.832SS**  trans-88.3133.3-162-174.8-175.9-171.8-173.83.9113.7
175A28.2Very low32.1Very low85 Ų85153.7 Ų153.770%0.70283%0.829SS**  trans45.2132.1150.100000121.7
176T28.6Very low32.1Very low137 Ų137151.8 Ų151.884%0.8482%0.824SS**  trans-54.3149.6160.2-280000113.8
177T35.5Very low32.1Very low129 Ų129145.7 Ų145.779%0.79182%0.822SS**  trans-124.1152.5152460000109.9
178P43.6Very low32.2Very low126 Ų126141.8 Ų141.882%0.81882%0.815SS**  trans-87.8163.9-164.934.4-36.8000115.4
179R27.5Very low33Very low238 Ų238139.5 Ų139.590%0.89881%0.811SS**  trans-75.2118.1179.9170-172.8176.5-117.16.3113.4
180Q30.5Very low32.8Very low191 Ų191139.5 Ų139.589%0.89381%0.81SS**  trans-175.2140.1146-103.5165.282.600107.3
181S30Very low32.7Very low96 Ų96137.5 Ų137.567%0.67180%0.8SS**  cis-150.7177.84.465.80000111.4
182L30.5Very low32.9Very low172 Ų172141 Ų14190%0.90180%0.803SS**  trans72.2134.2169-60.9170.4000119.1
183Q31.4Very low32.7Very low174 Ų174138.8 Ų138.881%0.81379%0.792SS**  trans-104.5176.2169-114-170.1-1.300108.2
184P46.4Very low32.4Very low110 Ų110136 Ų13671%0.71479%0.789SS**  cis-121.4-160.729.342.2-24.2000111.8
185I30.1Very low32.4Very low158 Ų158129.3 Ų129.381%0.8178%0.779SS**  cis-142.2-136.87.4-160.4157.9000112.2
186A29.9Very low32.5Very low85 Ų85131.4 Ų131.470%0.70278%0.783SS**  trans-95.9175.2-176.700000111.6
187A30.8Very low32.6Very low101 Ų101129.6 Ų129.684%0.83578%0.776SS**  cis-142.8-178.110.200000113.1
188A31.1Very low32.4Very low91 Ų91131.6 Ų131.675%0.75277%0.773SS**  trans-130.3178.1-178.200000109.2
189P47.9Very low31.7Very low122 Ų122132.8 Ų132.879%0.79277%0.768SS**  cis-110.4-106.4-0.534.5-14.6000112.6
190S30.3Very low31.9Very low108 Ų108125.7 Ų125.776%0.75575%0.747SS**  cis-133-173.7-0.2-160.90000111.5
191S31.3Very low31.8Very low91 Ų91119.6 Ų119.664%0.63672%0.723SS**  trans-156.8168.8-157.3-49.80000114.1
192Q31.1Very low31.7Very low191 Ų191118 Ų11889%0.89372%0.722SS**  trans68.9169.2158.8-66-177.863.400117.6
193A27.9Very low31.7Very low71 Ų71116.5 Ų116.559%0.58771%0.714SS**  cis-173.3177-41.900000109.8
194T29.1Very low31.5Very low139 Ų139117 Ų11785%0.85371%0.713SS**  trans71.5-169.5163.569.80000117.6
195S29.8Very low30.6Very low101 Ų101117.1 Ų117.171%0.70672%0.717SS**  -162.6-174.3-111.549.60000115.2
196V29.2Very low30.8Very low129 Ų129114.9 Ų114.978%0.78272%0.716SS**  trans103.2134.5158.7-178.70000119.5
197S31Very low31.6Very low98 Ų98115.7 Ų115.769%0.68571%0.714SS**  trans48.5119.6153.4-670000128
198K30.6Very low31.7Very low171 Ų171118.2 Ų118.274%0.74371%0.713SS**  53138.1116.3-72.8-179.7165.6-169.20125.5
199Q29.4Very low31.8Very low151 Ų151119.6 Ų119.671%0.70671%0.712SS**  trans69.9158.5144.7-71.2177.9-112.100117.7
200L31.2Very low30.9Very low89 Ų89121.2 Ų121.247%0.46671%0.709SS.*  cis-158.9156.7-30-118.2178.8000110.2
201T28.8Very low30.9Very low63 Ų63121.1 Ų121.139%0.38770%0.704SS.*  trans58.9166.8163.448.20000118.7G951T201-G951 WeakPolarHBondContact CG2-O 3.39Å
202G28.4Very low30.7Very low62 Ų62122.1 Ų122.164%0.63971%0.706SS**  cis172.4151-20.900000116
203L30.8Very low30.6Very low142 Ų142120.9 Ų120.974%0.74370%0.704SS**  trans70.1129.3153.6-68.7176.4000123.2
204K25.8Very low30.5Very low183 Ų183120.7 Ų120.780%0.79671%0.709SS**  trans70.5164152-55.5160.5179.7178.80115.8
205S27.3Very low30.9Very low113 Ų113120.3 Ų120.379%0.7971%0.709SS**  cis-139.9161.38.8-51.60000113.4
206S36.1Very low30.7Very low112 Ų112120.6 Ų120.678%0.78371%0.711SS**  trans-74.7-163152.8-34.30000109.4
207P46Very low31.3Very low102 Ų102119.8 Ų119.866%0.66271%0.709SS**  cis-147.7179.611.546.5-27.1000118.2
208L33.2Very low31.1Very low154 Ų154120.1 Ų120.181%0.80671%0.711SS**  trans58.8156.4145.1-70.3159.5000118.8
209T31.8Very low30.8Very low120 Ų120120 Ų12074%0.73671%0.713SS**  cis-146.3-169.713.3-13.70000107.1
210Q30.6Very low30.6Very low156 Ų156120.9 Ų120.973%0.72972%0.717SS**  cis-161.3164.77-142.1-164.8100.100109.8
211T29.3Very low30.4Very low106 Ų106121.6 Ų121.665%0.6573%0.729SS**  trans52140.9134.8-71.10000123.1
212V28.1Very low31.4Very low112 Ų112123.7 Ų123.768%0.67974%0.744SS**  cis-171.5163.8-19.980.50000111.2
213L28.2Very low31.4Very low165 Ų165128.3 Ų128.386%0.86475%0.753SS**  trans63.2149.9161.8-68.5172000120.9
214G24.8Very low31.6Very low67 Ų67126.4 Ų126.469%0.69175%0.752SS**  trans-94.4-167.5162.500000112
215P39.4Very low31.9Very low131 Ų131122.8 Ų122.885%0.85175%0.75SS**  -143.4-170.853.439.9-20.5000115.7
216S25.4Very low32.2Very low107 Ų107122.2 Ų122.275%0.74875%0.745SS**  trans-66.7176.3162-39.60000111.9
217P41.3Very low32.1Very low112 Ų112124 Ų12473%0.72775%0.746SS**  cis-142.6-175.2644.8-26.2000116.7
218S25.8Very low31.7Very low104 Ų104126.3 Ų126.373%0.72775%0.748SS**  trans63.9129.8140.9-66.20000124.4
219Q24.4Very low31.5Very low168 Ų168127.5 Ų127.579%0.78575%0.747SS**  trans85.7139.5145.8-54.9-132.5-25.700122.7
220H25.9Very low31.2Very low170 Ų170127.9 Ų127.979%0.78774%0.74SS**  trans59.7134.8155.4-77.2-69.9000124.5
221S25.9Very low31.1Very low105 Ų105129.8 Ų129.873%0.73474%0.741SS**  trans-86.6-167.7171-15.80000112
222P51Low31.2Very low107 Ų107129.5 Ų129.570%0.69574%0.743SS**  cis-137.3-152.9-13.828.9-3.4000113.4
223L28.6Very low31.7Very low159 Ų159129.8 Ų129.883%0.83275%0.747SS**  trans95.7147.4156.2-56.5179.7000118.8
224S34.5Very low31.7Very low102 Ų102127.1 Ų127.171%0.71374%0.742SS**  cis-172.6-171.2-22.8-1630000112.4
225S31.6Very low32.2Very low107 Ų107128.7 Ų128.775%0.74875%0.748SS**  trans80.8142.9167.974.90000117.6
226S33.3Very low31.8Very low100 Ų100126.4 Ų126.470%0.69974%0.741SS**  cis-174.7175.9-5.8-95.20000107.8
227N35.7Very low32Very low149 Ų149133 Ų13380%0.79775%0.749SS**  cis-173.5173.4-16.3-96.9-10.1000106.8
228H36.8Very low31.5Very low152 Ų152136.5 Ų136.570%0.70476%0.756SS**  cis-171-176.4-33.2-169.2-109.6000108.6
229F28.3Very low32.1Very low178 Ų178139 Ų13978%0.78176%0.76SS**  trans73.6139.3178.4-74.9-116.5000116.4
230E27.1Very low32.5Very low128 Ų128139.1 Ų139.160%0.59876%0.761SS**  cis-141.5173.47.1-118.7-94.782.600113.1
231R28.5Very low32.5Very low197 Ų197138 Ų13874%0.74376%0.757SS**  trans-24.3142.8-175.1-76.9155.1174.7106.7-1.9121
232S31.3Very low32.7Very low99 Ų99139.6 Ų139.669%0.69276%0.756SS**  cis85.1147.929.9-164.20000114.3
233P38.3Very low31.4Very low119 Ų119138.6 Ų138.677%0.77376%0.757SS**  cis-112.3158.910.241-30.3000115.4
234S28.3Very low31.4Very low109 Ų109139 Ų13976%0.76276%0.759SS**  cis98126.223-166.80000114.6
235A35.3Very low30.9Very low99 Ų99139.1 Ų139.182%0.81876%0.76SS**  trans-116.1122.5177.700000110.3
236A30.3Very low30.6Very low83 Ų83139 Ų13969%0.68676%0.76SS**  trans-164.4120.7169.500000113.5
237R29.9Very low30.4Very low247 Ų247139 Ų13993%0.93276%0.76SS**  trans-15398.9139.7-84.9-164.9172.5-163.5-4104.4
238Q31.3Very low30.1Very low184 Ų184140 Ų14086%0.8676%0.759SS**  76.4131.851.1-159.51716.300112.8
239L38.2Very low29.6Very low157 Ų157140.7 Ų140.782%0.82276%0.763SS**  trans-88.6154.7-164.4-62.5156.5000113.1
240Q33.2Very low30.1Very low171 Ų171137 Ų13780%0.79976%0.757SS**  trans-141.8115153-149.672.836.100105.6
241M26Very low30.2Very low145 Ų145139.5 Ų139.571%0.71477%0.769SS**  74.8131.359.3-83.2-73.8-73.600114.8
242I29.1Very low30.1Very low139 Ų139135 Ų13571%0.71377%0.774SS**  trans73.8116.4176.8-52.6161.2000112.2
243A24.7Very low30.1Very low87 Ų87133.5 Ų133.572%0.71977%0.774SS**  cis91.916027.900000115.2
244L27.4Very low29.7Very low166 Ų166133.3 Ų133.387%0.86977%0.771SS**  trans73.8148-166.1-49.8176.9000113.6
245S23.6Very low29.6Very low105 Ų105138.6 Ų138.673%0.73478%0.775SS**  cis137.6141-13.1179.10000109.2
246S25.7Very low29.2Very low105 Ų105138.3 Ų138.373%0.73477%0.773SS**  trans80.1158.7161-159.50000119.9
247S29.9Very low29.1Very low101 Ų101143 Ų14371%0.70678%0.781SS**  trans80.483151.9-54.90000119.4
248Q28.5Very low29.8Very low168 Ų168136.5 Ų136.579%0.78577%0.77SS**  -12.4146128.4-57.7161.113.800117.3
249Q26.5Very low29.7Very low167 Ų167131.6 Ų131.678%0.7876%0.761SS**  trans68.9166.7147-92.4176.4-11400118.9
250P38.5Very low29.1Very low102 Ų102129.4 Ų129.466%0.66275%0.754SS**  cis-133.1162.9-730.9-10000117.5
251Q29.7Very low28.8Very low180 Ų180130.1 Ų130.184%0.84176%0.757SS**  trans37.1119.7135.9-61.8-71.1-14.200122.7
252A27.1Very low28.8Very low102 Ų102128.5 Ų128.584%0.84376%0.76SS**  177.7146.6120.100000108.1
253G31.1Very low28.7Very low67 Ų67131 Ų13169%0.69177%0.766SS**  cis125.2138.714.500000108.9
254T30.3Very low29.5Very low116 Ų116133 Ų13371%0.71277%0.772SS**  cis-163.8175.95.9-58.90000109.2
255Y26.3Very low29.6Very low219 Ų219129.5 Ų129.586%0.85977%0.767SS**  trans87.8140.3167.4-55.7-77.8000117.2
256A25.9Very low29.6Very low94 Ų94132.5 Ų132.578%0.77777%0.769SS**  cis-137.1165.69.200000115.2
257H27.5Very low29.6Very low181 Ų181134.3 Ų134.384%0.83877%0.77SS**  trans-113.5-174.3175.6-100.8-73.7000109.7
258P45.1Very low30.5Very low111 Ų111134.4 Ų134.472%0.72177%0.768SS**  cis-120.1174.65.826.5-1.7000113.2
259A28.9Very low30.3Very low80 Ų80134.1 Ų134.166%0.66177%0.767SS**  63.4138.650.900000113.6
260V26.3Very low30.4Very low111 Ų111133.4 Ų133.467%0.67376%0.763SS**  -170.8136.760.9156.10000112.9
261Q26.4Very low29.9Very low186 Ų186133.2 Ų133.287%0.86976%0.764SS**  trans61.7164.3154.5-69.4166.824.900120.5
262S26.6Very low29.9Very low111 Ų111129 Ų12978%0.77676%0.755SS**  cis-142169.115.771.60000117.4
263K26.3Very low30.1Very low192 Ų192132.1 Ų132.184%0.83575%0.752SS**  trans-70.6-179.7160.2-97.4-177.6178.1-177.20111.4
264P41.6Very low30.3Very low130 Ų130132.6 Ų132.684%0.84474%0.744SS**  cis-129.6-131.415.342.3-22.4000114.8
265A29.1Very low30.5Very low92 Ų92135.7 Ų135.776%0.7675%0.748SS**  trans-136.4-178-165.600000113.5
266E25.2Very low30.8Very low168 Ų168133.3 Ų133.379%0.78574%0.742SS**  trans88.6134166.8-99.3-170.8101.100121.5
267L25.1Very low31.1Very low142 Ų142134.8 Ų134.874%0.74374%0.741SS**  trans70.8163.4152.6-61.7172.1000119
268P49.2Very low31.3Very low104 Ų104129.9 Ų129.968%0.67573%0.732SS**  -141.8-166.9-60.540.7-23.2000115
269E24Very low30.6Very low162 Ų162131.5 Ų131.576%0.75774%0.735SS**  trans97.8145.8149-70.7-88.661.700123.3
270H28.6Very low30.7Very low152 Ų152135.2 Ų135.270%0.70474%0.736SS**  trans79.9111.6153.4-102.1-75.6000124.8
271S27.7Very low31Very low97 Ų97135.2 Ų135.268%0.67873%0.732SS**  trans66146.4139.9-740000121.6
272S30.2Very low31.1Very low92 Ų92133.4 Ų133.464%0.64373%0.729SS**  cis-165.5147.4-13.2-104.10000111.3
273Q31.4Very low31.4Very low168 Ų168135.5 Ų135.579%0.78573%0.73SS**  trans22.5144.4132-62.4-166.421.500120.1
274S34.8Very low31.2Very low77 Ų77132.9 Ų132.954%0.53873%0.726SS.*  cis-179.7163.516.3-122.70000113.2
275K33.7Very low31.2Very low181 Ų181132.3 Ų132.379%0.78772%0.722SS**  trans69.3160.3141.4-70.3163.3-168.1168.10120
276K33.9Very low31Very low168 Ų168135 Ų13573%0.7372%0.723SS**  cis179.8140.5-25.6178-178170.1-176.50110
277T32.3Very low32.4Very low125 Ų125132.2 Ų132.277%0.76772%0.719SS**  trans60.2164.6161.6480000118.4
278A31.8Very low32.5Very low78 Ų78133.4 Ų133.465%0.64573%0.725SS**  cis-174.2171.8-32.900000110.1
279N29.7Very low31.4Very low146 Ų146135.7 Ų135.778%0.78173%0.732SS**  trans64.3115.4152.8-86.5-3.1000121.5
280K30.6Very low31.6Very low157 Ų157131.6 Ų131.668%0.68373%0.726SS**  78.6157107.5-148.9-174.7169.5-740119.7
281D32.5Very low31.5Very low111 Ų111129.9 Ų129.959%0.59473%0.731SS**  trans76.796.5160.6-64.4-43.8000120.8
282D29.1Very low31.6Very low149 Ų149129.3 Ų129.380%0.79773%0.732SS**  63.2178.9113.9-130.1-56.5000121.7
283L31.8Very low31.6Very low154 Ų154132.8 Ų132.881%0.80674%0.742SS**  trans85.294.7167.5-54-173.5000119.9
284N23.8Very low32.2Very low138 Ų138129.9 Ų129.974%0.73874%0.738SS**  trans-46160.4132.8-126.7-19.9000110.7
285P40.1Very low31.8Very low117 Ų117131.6 Ų131.676%0.7675%0.75SS**  -154.717755.544.2-23000118.7
286L25.3Very low31.6Very low149 Ų149126.3 Ų126.378%0.7874%0.741SS**  trans-72.9-164.4151.6-65.3167.8000110.5
287P55.8Low31.3Very low109 Ų109127.5 Ų127.571%0.70875%0.748SS**  -114-165.6-61.435.2-20.1000110.1
288L27Very low31Very low167 Ų167127.1 Ų127.187%0.87475%0.75SS**  -175.9157.4117.5-98.8172.5000115.3
289N26.3Very low30.9Very low153 Ų153131.7 Ų131.782%0.81876%0.758SS**  trans-77.4178.6-166.8-170.213.7000115.8
290A26.9Very low30.8Very low75 Ų75130.1 Ų130.162%0.6275%0.754SS**  trans102.2109.2148.900000122
291S27.7Very low30.7Very low116 Ų116130.5 Ų130.581%0.81176%0.758SS**  75.2102.6120.7-57.10000124.2
292A29.4Very low30.4Very low86 Ų86131 Ų13171%0.71177%0.766SS**  74.6118.9114.300000124.4
293L29.9Very low30.3Very low164 Ų164130.6 Ų130.686%0.85976%0.763SS**  trans70.4166.7138.7-72.3170.3000118.4
294P43.4Very low30.3Very low108 Ų108129.3 Ų129.370%0.70176%0.761SS**  cis-133.8170.110.743.3-27.1000118.7
295S26.3Very low30.6Very low113 Ų113131.3 Ų131.379%0.7976%0.763SS**  trans62.4159.8149.1-66.10000122
296A29.3Very low30.1Very low70 Ų70133.7 Ų133.758%0.57976%0.762SS**  cis-172.1152.9-32.900000110.6
297H28.6Very low30.5Very low193 Ų193134.5 Ų134.589%0.89476%0.755SS**  trans64.7162.2166.6-61.1-65.6000117.1
298S26.7Very low29.2Very low116 Ų116134.6 Ų134.681%0.81175%0.746SS**  cis-146.5-175.90.342.80000112.9
299H29.9Very low29.3Very low175 Ų175134.4 Ų134.481%0.8174%0.74SS**  trans-69.7177.5-171.7-86.1-131.9000118.4
300T26.2Very low29.5Very low113 Ų113133.6 Ų133.669%0.69373%0.729SS**  trans89.8107.2141.125.20000121.9
301Q28.7Very low29.6Very low164 Ų164137.5 Ų137.577%0.76674%0.735SS**  61.3158.1125.7-74.5-168.336.900122.6
302T26.5Very low29.7Very low123 Ų123136.2 Ų136.276%0.75573%0.726SS**  trans63.7160.916349.10000117.2
303L27.2Very low29.8Very low140 Ų140138.7 Ų138.773%0.73373%0.727SS**  cis-171.7158-36.6-155.1156.6000103.7
304T30.6Very low29.8Very low126 Ų126136.7 Ų136.777%0.77372%0.717SS**  trans72.2166.8173.884.70000114.6
305K30.1Very low29.1Very low181 Ų181139.7 Ų139.779%0.78772%0.722SS**  cis177.5154.7-33.8176.5176-176.5176.30107.1
306K31.3Very low29.2Very low167 Ų167137.4 Ų137.473%0.72672%0.716SS**  trans67.4159.2169.6-97.4-173.4171.4-173.60113.4
307R33Very low30Very low166 Ų166139.6 Ų139.663%0.62672%0.724SS**  cis-161.2158.3-14.4-144.9179.2175.1-155.8-24.4109.3
308E28.2Very low30.1Very low111 Ų111138.1 Ų138.152%0.51972%0.721SS.*  trans47.3124.2140.5-82.4158.9-150.100121
309Q30.2Very low30.4Very low162 Ų162137.6 Ų137.676%0.75772%0.718SS**  73149.3100.4-77-172.2-61.300115.1
310K30.6Very low30.4Very low136 Ų136141.2 Ų141.259%0.59172%0.724SS**  cis-174.5140.9-1.8151.7179.9-174.1-60.80109.5
311E27.8Very low30.5Very low158 Ų158139.1 Ų139.174%0.73873%0.725SS**  trans58.6168.8165.4-94.9143.365.800117.6
312S29.6Very low30.6Very low89 Ų89138.1 Ų138.162%0.62273%0.73SS**  cis-148.6-174.16.9480000112.7
313D31Very low30.6Very low137 Ų137141.5 Ų141.573%0.73373%0.729SS**  trans69.2135.6162.6-57.6-74.3000118.3
314D30.1Very low31.5Very low122 Ų122138 Ų13865%0.65272%0.715SS**  cis93.5137.331.2-160.7-129000112.3
315Q29.4Very low31.6Very low171 Ų171133.4 Ų133.480%0.79969%0.692SS**  cis-143-169.113.2-161.6144.489.700113.3
316G28.3Very low31.9Very low65 Ų65130 Ų13067%0.6768%0.682SS**  trans-78.7-159.2179.400000116.1
317P45.7Very low32.1Very low116 Ų116130.8 Ų130.875%0.75368%0.68SS**  cis-152.7162.63540.6-18000121.6
318I30.6Very low31.9Very low162 Ų162129.1 Ų129.183%0.83168%0.679SS**  trans59.7154.7134.6-55.9164.8000123.4
319S32.5Very low32.3Very low106 Ų106130.1 Ų130.174%0.74168%0.684SS**  trans87.7143.8170.7-65.50000117.8
320R30.9Very low32.5Very low251 Ų251131.6 Ų131.695%0.94768%0.682SS**  cis72.3139.3-1.6-61.6-177.5173.5-176.3-2.3119.8
321G28.4Very low32.6Very low69 Ų69130 Ų13071%0.71169%0.688SS**  cis167.1175.4-12.300000114
322V29.7Very low32.8Very low142 Ų142127.6 Ų127.686%0.86170%0.696SS**  trans80.5104.4151.3-174.70000122.8
323R26.8Very low32.8Very low195 Ų195126.6 Ų126.674%0.73670%0.699SS**  58.8170.7126.2-90-170.5167.4-122.52.7122.4Q779R323-Q779 PolarHBondContact NH1-O 3.03Å
324P47.6Very low33Very low67 Ų67129.5 Ų129.544%0.43571%0.705SS.*  -131.5-65.7-82.929.2-3.5000125.1S780 D781 N782P324-S780 WeakPolarHBondContact CD-O 3.2Å; P324-S780 VanDerWaalsContact CG-C 3.42Å; P324-S780 WeakPolarHBondContact CG-O 3.49Å; P324-D781 VanDerWaalsContact C-C 3.45Å; P324-D781 VanDerWaalsContact CD-C 3.5Å; P324-D781 WeakPolarHBondContact CD-O 3.41Å; P324-D781 VanDerWaalsContact N-O 3.08Å; P324-N782 CarbonylContact C-O 3.37Å; P324-N782 CarbonylContact O-C 3.41Å
325G32.3Very low33Very low29 Ų29129.2 Ų129.230%0.29970%0.704SS.*  trans-135.1-130.4-155.100000124.9D781 N782G325-D781 CarbonylContact O-C 3.54Å; G325-D781 WeakPolarHBondContact O-CA 3.5Å; G325-N782 PolarHBondContact O-N 2.91Å
326I35.6Very low33.3Very low110 Ų110128.2 Ų128.256%0.56470%0.703SS**  trans63.2153-170.263.1168.6000119.4D781I326-D781 WeakPolarHBondContact CB-OD1 3.47Å; I326-D781 WeakPolarHBondContact CD1-OD1 3.48Å; I326-D781 HydrophobicContact CG1-CB 4.4Å; I326-D781 WeakPolarHBondContact CG1-OD1 3.49Å; I326-D781 WeakPolarHBondContact CG2-OD1 3.38Å
327R34.7Very low33.3Very low183 Ų183133.2 Ų133.269%0.69171%0.709SS**  cis-153.7-169-1.7-123148.771.91588.1109
328E30Very low32.6Very low130 Ų130131.5 Ų131.561%0.60771%0.705SS**  cis-160.1149.114.7-154.4125.7175.600115
329E35.3Very low32.5Very low132 Ų132130.8 Ų130.862%0.61770%0.698SS**  trans26.8144.6143.7-138.3-156.4162.400127.4
330R34.6Very low32.6Very low194 Ų194133.5 Ų133.573%0.73270%0.696SS**  128.292.6115.4-157.2164.6-113.5-104.3-12.2122.6
331S33.9Very low32.6Very low101 Ų101127.9 Ų127.971%0.70669%0.685SS**  78.2137.5127.6-61.50000127.6
332A30.9Very low33Very low109 Ų109130 Ų13090%0.90168%0.684SS**  trans75.9140.9147.100000121.5
333G29.8Very low33.1Very low67 Ų67132.6 Ų132.669%0.69169%0.687SS**  cis155.8163.1-14.300000115.8
334K35.5Very low33.5Very low198 Ų198128.3 Ų128.386%0.86168%0.682SS**  trans75.8153.1159.8-63.3-172167.1-159.20118.7
335D31.3Very low32.8Very low117 Ų117132.5 Ų132.563%0.62670%0.696SS**  cis-162.9169.2-6.6-127.1-49.4000114.4
336L35.3Very low32.8Very low150 Ų150135.7 Ų135.779%0.78571%0.71SS**  trans67.5153.8159-62.5162.1000119.6
337Q28.5Very low32.8Very low170 Ų170137 Ų13779%0.79472%0.716SS**  cis-152.4144.813-148.8177.316.300114.7
338A29.9Very low32.5Very low80 Ų80137.3 Ų137.366%0.66172%0.723SS**  trans44.9149.114500000124.2
339E29.3Very low32.4Very low147 Ų147139.1 Ų139.169%0.68773%0.731SS**  cis-163.5146.4-11.1-113.5-172.711700113
340K34.5Very low32.2Very low162 Ų162139.8 Ų139.870%0.70473%0.734SS**  trans44.4146.3143.2-68177.1-171.71510122.1
341N31.1Very low31.9Very low134 Ų134137.8 Ų137.872%0.71773%0.731SS**  cis-142159.62.7-93.7-20.3000108.6
342V36.7Very low31.6Very low114 Ų114139 Ų13969%0.69173%0.729SS**  cis97.195.919-179.10000115.8
343Q31Very low31.4Very low196 Ų196139.1 Ų139.192%0.91672%0.718SS**  trans-153118.7144.6-100.1176.57.100107.1
344T35Very low31.4Very low104 Ų104142.1 Ų142.164%0.63872%0.719SS**  cis105.3135.520.6-650000111.9
345E32.9Very low31Very low155 Ų155138 Ų13872%0.72471%0.71SS**  cis-175.3164.4-17.1-97.2-148.374.900108.3
346T32.5Very low30.7Very low96 Ų96139.7 Ų139.759%0.58971%0.714SS**  cis-159147.4-2820.80000112.5
347I35.1Very low30.2Very low137 Ų137140.1 Ų140.170%0.70371%0.712SS**  trans21.6140136.3-61.1166.4000121.7Q349I347-Q349 HydrophobicContact CG2-CG 4.45Å
348K28.8Very low30.3Very low191 Ų191139.9 Ų139.983%0.8371%0.711SS**  trans-161.8136.8135.8-105.6158.7-173.9-179.80109.2
349Q29.2Very low30.5Very low167 Ų167141.6 Ų141.678%0.7872%0.716SS**  cis62.1138.749.6-71.1-173.7-22.900112.6I347I347-Q349 HydrophobicContact CG2-CG 4.45Å
350E29.3Very low30.6Very low146 Ų146142.5 Ų142.568%0.68272%0.72SS**  cis-128.9-167.211.7-99.4-169.413700109.1
351K28.5Very low31Very low153 Ų153139.3 Ų139.367%0.66572%0.716SS**  cis162.4-175.3-27.8-170.8-179.1151.2-171.70107.5
352L28.9Very low30.9Very low125 Ų125139 Ų13965%0.65471%0.714SS**  trans71.2108.9163.5-71.6151.6000115.3
353T26.8Very low30.6Very low112 Ų112142.6 Ų142.669%0.68772%0.723SS**  74.2149.990.659.50000114.3
354D28.6Very low30.4Very low131 Ų131141.4 Ų141.470%0.70172%0.72SS**  cis-157.2175.27.3-136.3-49.4000113.6
355T27.1Very low30.2Very low110 Ų110144.9 Ų144.968%0.67573%0.729SS**  trans46122.8138.6-66.70000122.6
356E25.7Very low30Very low153 Ų153143.2 Ų143.272%0.71573%0.729SS**  trans7.2138.6138.1-86-176.4105.700124.2
357Q23.7Very low29.8Very low160 Ų160145.7 Ų145.775%0.74873%0.732SS**  79.3151.1122.4-155.7169.5118.900121.4
358E31.4Very low29.5Very low164 Ų164145.8 Ų145.877%0.76673%0.729SS**  trans-28.5147178.3-64.3-74.8120.100117.9
359P34.4Very low29.6Very low117 Ų117144.3 Ų144.376%0.7673%0.725SS**  -145.9137.1107.936.3-21000117
360E31.8Very low29.9Very low166 Ų166141.8 Ų141.878%0.77672%0.717SS**  trans-58.3143.3138.4-99.1-93.6144.800108.6
361P42.4Very low30.1Very low95 Ų95140.2 Ų140.262%0.61771%0.71SS**  -157.5-176.68243.2-24000118
362D28.9Very low30.6Very low127 Ų127141.9 Ų141.968%0.67971%0.712SS**  trans101.5113.4137.6-81.3-29.9000120.4
363Q30.1Very low31Very low190 Ų190140.7 Ų140.789%0.88871%0.706SS**  trans-79.6134.4145.3-61.7166.16900108
364M28Very low31.7Very low171 Ų171144.9 Ų144.984%0.84271%0.709SS**  trans-143.2127.1150.3-148.1162.4-69.500112
365E30.6Very low31.9Very low176 Ų176143.2 Ų143.282%0.82270%0.697SS**  trans-78.4151.9171.2-177.6-179.6114.300109.8
366V28.4Very low32.5Very low121 Ų121147.5 Ų147.573%0.73370%0.701SS**  trans167.9119.2139.1150.20000113.5
367K28Very low33.2Very low148 Ų148149.3 Ų149.364%0.64370%0.701SS**  trans54.9141.7144.8-61.2-178.394.5-137.70124.7
368E29.2Very low33.7Very low138 Ų138150.1 Ų150.165%0.64571%0.705SS**  trans65.6149.4138-72.6162.9162.600121.1
369E30.7Very low33.9Very low161 Ų161149.1 Ų149.175%0.75271%0.71SS**  cis-159.6161.7-32.2-149.4-173.387.400110.7
370D35.2Very low34Very low113 Ų113146.9 Ų146.960%0.60471%0.709SS**  trans76.1151.7148.3-155.611.4000121.5
371Q34.2Very low34.3Very low114 Ų114149.2 Ų149.253%0.53372%0.716SS.*  trans113.978.9140.2-142.280.1148.800120.5
372R38.1Very low33.7Very low187 Ų187153.3 Ų153.371%0.70673%0.725SS**  48.8148.3124.1-68.4-170.3-79-161-2.3120.2
373D36.7Very low34.2Very low101 Ų101158.1 Ų158.154%0.5473%0.733SS.*  cis-160.11658.3-141.7-46.8000112.6
374R42.3Very low34.2Very low199 Ų199156.6 Ų156.675%0.75172%0.723SS**  trans44.4146.6149.3-89.1156.9178.588-6.6122.4
375E32.9Very low34.4Very low96 Ų96156.2 Ų156.245%0.44972%0.719SS.*  cis-159.4-147.3-7.7-148.2-170.4176.300106.5R377E375-R377 IonicContact OE1-CZ 3.31Å; E375-R377 IonicContact OE1-NE 2.71Å; E375-R377 PolarHBondContact OE1-NE 2.78Å; E375-R377 IonicContact OE1-NH2 3.02Å; E375-R377 PolarHBondContact OE1-NH2 3.22Å
376R39.3Very low34.3Very low201 Ų201154.4 Ų154.476%0.75871%0.711SS**  cis-170.3140.2-7150.5-178.9-55.9-171.76.1106.5
377R41.5Very low34.3Very low190 Ų190156.5 Ų156.572%0.71771%0.713SS**  cis-143.1-144.4-17-97178.9-172.6-153.9-2.3104.8E375E375-R377 IonicContact OE1-CZ 3.31Å; E375-R377 IonicContact OE1-NE 2.71Å; E375-R377 PolarHBondContact OE1-NE 2.78Å; E375-R377 IonicContact OE1-NH2 3.02Å; E375-R377 PolarHBondContact OE1-NH2 3.22Å
378Q34.3Very low34.4Very low177 Ų177155 Ų15583%0.82772%0.716SS**  cis-157165.14.1-165.1159.9-34.700109.1
379T35.6Very low34.4Very low143 Ų143156.7 Ų156.788%0.87772%0.724SS**  trans-150.8165.8-150.352.90000116.5
380G35.7Very low34.4Very low70 Ų70156.3 Ų156.372%0.72273%0.727SS**  trans143.2152.1161.100000113.2
381K38.4Very low34.3Very low215 Ų215159.2 Ų159.294%0.93574%0.737SS**  cis-164.2170.1-1-99.5169-180175.30105.9
382K30.2Very low34Very low182 Ų182157.4 Ų157.479%0.79175%0.749SS**  cis-157.5126.45.9164.1-128.6170.8-173.80105.2
383R38.3Very low33.6Very low228 Ų228151.8 Ų151.886%0.8675%0.749SS**  38.9148.6101.5-61.8-173.5178.3-159.6-1.9116
384K31Very low33.4Very low157 Ų157154.6 Ų154.668%0.68376%0.764SS**  cis-144.4-168.327.9-158.2-149.8166.2-175.50111E386K384-E386 WeakPolarHBondContact CE-OE2 3.35Å; K384-E386 IonicContact NZ-OE1 2.74Å; K384-E386 PolarHBondContact NZ-OE1 3.33Å; K384-E386 IonicContact NZ-OE2 2.72Å; K384-E386 PolarHBondContact NZ-OE2 3.39Å
385H31.7Very low33.1Very low164 Ų164151 Ų15176%0.75976%0.764SS**  trans-139146.2-173.2169.1-124.8000107.6
386E27.7Very low33.8Very low138 Ų138152.2 Ų152.265%0.64578%0.781SS**  trans-159.9-172.6171.5-135.7114.2-164.200111.1K384K384-E386 WeakPolarHBondContact CE-OE2 3.35Å; K384-E386 IonicContact NZ-OE1 2.74Å; K384-E386 PolarHBondContact NZ-OE1 3.33Å; K384-E386 IonicContact NZ-OE2 2.72Å; K384-E386 PolarHBondContact NZ-OE2 3.39Å
387E28.5Very low33.6Very low164 Ų164150.8 Ų150.877%0.76678%0.784SS**  trans-117.8162.5-143.1-91.3174.571.500118
388V30.5Very low33.2Very low118 Ų118148.7 Ų148.772%0.71579%0.788SS**  trans70.1172.4138.8171.70000119.4
389E30.2Very low33Very low172 Ų172145 Ų14580%0.80478%0.777SS**  trans-95.2178.6-151.2-58.4157.8119.300114.7
390D31.1Very low32.8Very low153 Ų153142.8 Ų142.882%0.81877%0.767SS**  trans102.5152.8138.8-139.246.6000121.5
391E32.8Very low32.6Very low175 Ų175146.4 Ų146.482%0.81877%0.77SS**  trans-31.4155.9-174.4-66.1-80.594.500121
392G28.1Very low32.1Very low76 Ų76140.6 Ų140.678%0.78476%0.756SS**  trans141.6115.8141.400000119.5
393G29.5Very low32Very low69 Ų69140.7 Ų140.771%0.71176%0.759SS**  96.5106.5125.400000121
394D31.6Very low31.7Very low159 Ų159136.9 Ų136.985%0.8575%0.754SS**  trans63.5107.9133.5-61.5-48.1000123.8
395T35.6Very low31.5Very low124 Ų124135.2 Ų135.276%0.76175%0.753SS**  trans-37.6159.7142-0.10000115.6
396P49Very low31.4Very low122 Ų122134.5 Ų134.579%0.79275%0.75SS**  -131.1169.6100.237.7-30.8000115.2
397M34.1Very low31.4Very low170 Ų170134.3 Ų134.384%0.83775%0.753SS**  trans-59.6151.7-175.4-49.9174.617800112.6
398D32.6Very low31.6Very low147 Ų147132.9 Ų132.979%0.78676%0.756SS**  -138.8147.882.1-153.9-171.7000115.7
399T30.6Very low31.5Very low99 Ų99135.8 Ų135.861%0.60776%0.762SS**  trans-51.9175.216869.50000113.8
400S32.5Very low32.2Very low96 Ų96133.1 Ų133.167%0.67176%0.759SS**  cis-171.9169.3-15.3-107.60000106.1
401D30.7Very low32.1Very low146 Ų146130 Ų13078%0.78176%0.755SS**  cis-150.6-167.6-3.9-138.3-73.6000110.9
402C27.1Very low32.7Very low94 Ų94127.5 Ų127.564%0.63575%0.754SS**  trans-94.9152.9-178.9-830000116.1
403Q29.2Very low32.7Very low184 Ų184132 Ų13286%0.8675%0.754SS**  trans70.5176.6145.8-71.4170.116.200120.5
404I31Very low33.6Very low147 Ų147133.8 Ų133.875%0.75475%0.753SS**  trans100104162.2-53.7-175.6000117.5
405D27.7Very low33.5Very low123 Ų123131.9 Ų131.966%0.65874%0.743SS**  trans38.9134.7137.6-73.4-105.6000126.1
406Q29.3Very low33.2Very low148 Ų148132.7 Ų132.769%0.69274%0.741SS**  trans77.2115.9131.4-72.6174.861.100123
407N28.2Very low32.2Very low135 Ų135132.2 Ų132.272%0.72274%0.736SS**  trans74.1149.6130.7-69.9-37.5000122.1
408T32Very low32.1Very low133 Ų133132.9 Ų132.982%0.81673%0.734SS**  trans95.697.5154.3-30.80000117.8
409E29.9Very low31.8Very low180 Ų180131.8 Ų131.884%0.84173%0.728SS**  trans-54.5140.7153-179.3175.1124.100110.1
410P42.8Very low31.8Very low116 Ų116131.1 Ų131.175%0.75373%0.728SS**  -151.1175.166.241.5-20.6000119.2
411A29.2Very low31.7Very low88 Ų88131 Ų13173%0.72773%0.727SS**  trans-76.8170.3165.300000110.8
412P46.1Very low31.6Very low122 Ų122132.5 Ų132.579%0.79273%0.727SS**  cis-146.6-179.947.940.5-18.8000118.8
413H29Very low31.6Very low169 Ų169135 Ų13578%0.78273%0.729SS**  trans-32.3171152.5-104.2-102000117.2
414P47.8Very low31.7Very low107 Ų107132.1 Ų132.170%0.69573%0.729SS**  cis-139.2-148.68.151-33.1000112
415D29Very low31.5Very low120 Ų120134.5 Ų134.564%0.64273%0.734SS**  cis-164.6169.1-24.6-134.3-52000112.6
416I30.2Very low31.8Very low141 Ų141135 Ų13572%0.72374%0.744SS**  trans65.6157.8160.7-48.9145.1000114
417V28.5Very low31.7Very low112 Ų112137.1 Ų137.168%0.67975%0.751SS**  cis-151.4152.525.2-139.80000112.8
418K30.2Very low31.6Very low184 Ų184139.4 Ų139.480%0.876%0.762SS**  trans41.3155.3139.6-74.4-174.6169.5-1760122
419D27.6Very low31.3Very low123 Ų123139.5 Ų139.566%0.65876%0.757SS**  cis-160.4-171.90.7-130.5-79.3000106.3
420S30.8Very low31.2Very low86 Ų86138.5 Ų138.560%0.60176%0.757SS**  cis-159.6-177.3-1.6-149.10000112.6
421S29.1Very low30.3Very low94 Ų94139.1 Ų139.166%0.65776%0.759SS**  trans14121.1139.2-54.20000119.9
422K29.7Very low30.8Very low177 Ų177140.7 Ų140.777%0.7776%0.761SS**  7314772.5-78.8-170.3168.6-115.60115.2
423E26.6Very low29.7Very low147 Ų147139.2 Ų139.269%0.68776%0.76SS**  cis-175.5142.7-14.9178177.6136.800109
424S30.3Very low29.7Very low122 Ų122137.3 Ų137.385%0.85376%0.762SS**  trans-171.1152.3160-900000114
425K27.4Very low28.7Very low197 Ų197139.1 Ų139.186%0.85777%0.771SS**  trans-142.4157.5172.2-75.5-178.9178.8172.40110.2
426P35.3Very low28.5Very low135 Ų135142.7 Ų142.788%0.87778%0.781SS**  -121.8-178.313035.9-30.7000112.4
427K27.1Very low28.2Very low192 Ų192142.7 Ų142.784%0.83579%0.788SS**  trans-144.7128.6-167.5179.7-169.7178-167.70110.5
428L26.1Very low28.2Very low183 Ų183142.4 Ų142.496%0.95879%0.788SS**  trans-142.1170166.9-95.1171.7000109.8
429D24.8Very low27.9Very low134 Ų134142.3 Ų142.372%0.71780%0.795SS**  trans-115.2-178-155.5-139.6-55.8000114.6
430L26.9Very low27.7Very low160 Ų160145 Ų14584%0.83880%0.801SS**  trans87.3156175.4-49.2-178.2000117.3
431T25.3Very low27.4Very low128 Ų128144.7 Ų144.779%0.78580%0.804SS**  trans-138.2-179.3-150.155.80000111.9
432P38.4Very low27.2Very low121 Ų121147 Ų14779%0.78681%0.814SS**  cis-131.9158.2-3730.2-13.2000114
433A24.2Very low26.9Very low91 Ų91144.4 Ų144.475%0.75281%0.813SS**  trans-155.9140.8159.900000113
434P28.7Very low26.7Very low129 Ų129142.6 Ų142.684%0.83882%0.816SS**  trans-100.2123.9-179.735.3-30.7000113.9
435V26.1Very low26.5Very low146 Ų146142.5 Ų142.589%0.88581%0.81SS**  trans-124.1151.5172.3-177.50000110.4
436K24.6Very low26.4Very low195 Ų195141.2 Ų141.285%0.84881%0.808SS**  trans-113.6119.9-160.9-56.5164.7-175.4167.80112.8
437T25.5Very low25.9Very low141 Ų141141.7 Ų141.787%0.86580%0.803SS**  trans-147.8120.3160.736.80000111.2
438P26.6Very low25.8Very low106 Ų106138.2 Ų138.269%0.68880%0.8SS**  trans-99.8127.616633.4-26.6000111.2
439L24.1Very low25.7Very low181 Ų181135.3 Ų135.395%0.94879%0.789SS**  trans-74.2155.2169.3-75.5166.9000111.4
440K24.1Very low25.9Very low180 Ų180135.8 Ų135.878%0.78380%0.797SS**  trans-95.5111.7-177-174.9-176.1-179.4-173.20110
441A25.3Very low25.8Very low80 Ų80136.2 Ų136.266%0.66180%0.795SS**  trans-131.3141.3176.800000111.2
442T23.9Very low25.7Very low141 Ų141135.9 Ų135.987%0.86580%0.798SS**  trans-102.1124.4177.5-53.60000108.9
443V23.6Very low24.9Very low123 Ų123136.5 Ų136.575%0.74580%0.799SS**  trans-119132.5174.8-176.70000108.7V445V443-V445 HydrophobicContact CG1-CG2 4.02Å
444S22.8Very low25.2Very low109 Ų109138.1 Ų138.176%0.76280%0.802SS**  trans-118.9129.8172.7-169.40000108.2
445V25.2Very low25.1Very low120 Ų120135.5 Ų135.573%0.72780%0.798SS**  trans-124.6127.6179.5-177.40000108.2V443V443-V445 HydrophobicContact CG1-CG2 4.02Å
446Q25.4Very low25.3Very low171 Ų171137.8 Ų137.880%0.79980%0.799SS**  trans-102.1143.7172-60.2-176.935.500109
447N25.5Very low25.4Very low144 Ų144136.9 Ų136.977%0.7780%0.795SS**SBendtrans90.1143.7-179.4-58.8-10.1000117.2
448P25.6Very low25.6Very low120 Ų120134.8 Ų134.878%0.77978%0.784SS**  trans-81.4129.4-177.232.1-34.2000112.2
449V23.8Very low25.7Very low121 Ų121134 Ų13473%0.73378%0.777SS**  trans-107.2125.5168.9178.70000108.6E451V449-E451 VanDerWaalsContact C-N 3.3Å; V449-E451 PolarHBondContact O-N 2.9Å
450T27.6Very low25.9Very low144 Ų144129.6 Ų129.688%0.88376%0.758SS**  trans-92.346.7-174.9-41.40000112.2
451E24.5Very low26.3Very low170 Ų170123 Ų12379%0.79474%0.741SS**SBendtrans-148.7156178.3-134.4170.3-135.200112.8V449V449-E451 VanDerWaalsContact C-N 3.3Å; V449-E451 PolarHBondContact O-N 2.9Å
452S23.6Very low26.5Very low121 Ų121124.3 Ų124.385%0.84674%0.743SS**  trans-98.498.8-168.2-68.80000112.6P454S452-P454 WeakPolarHBondContact O-CD 3.37Å
453V23Very low26.6Very low134 Ų134122.4 Ų122.481%0.81273%0.731SS**  trans-85.6119.2175.9-176.30000111
454P29.9Very low26.9Very low125 Ų125122.5 Ų122.581%0.81273%0.734SS**  trans-84.6123.8173.532.6-31.4000111.1S452S452-P454 WeakPolarHBondContact O-CD 3.37Å
455G25.6Very low27.1Very low73 Ų73122.8 Ų122.875%0.75373%0.731SS**  trans-152.8113177.300000113.1
456E31.3Very low27.2Very low195 Ų195125.6 Ų125.691%0.91173%0.733SS**  trans-90.7112.4174.7-64.7-164.9130.800111.6
457K26Very low27.9Very low175 Ų175122.9 Ų122.976%0.76173%0.73SS**  trans-165.8147.6154.1-103140.6-171.6176.70111
458P30.6Very low28.3Very low97 Ų97121.2 Ų121.263%0.6373%0.727SS**  trans-71.5147.8174-14.730.3000112.1
459V28.6Very low28.5Very low89 Ų89120.7 Ų120.754%0.53972%0.722SS.*  trans-123.5128.9175.5178.90000109.4
460T28.7Very low28.9Very low90 Ų90121.6 Ų121.655%0.55273%0.73SS**  trans-11478.8-172.7-45.80000111.4
461G32.8Very low29.1Very low41 Ų41117 Ų11742%0.42371%0.711SS.*SBendtrans-179.6164176.100000113.1
462P27.6Very low29.4Very low108 Ų108113 Ų11370%0.70170%0.703SS**  trans-74.4129.417730.3-33.5000111.3
463V27.8Very low29.8Very low101 Ų101112.4 Ų112.461%0.61269%0.689SS**  trans-112.7112.7179.7-177.60000110.2V465V463-V465 HydrophobicContact CG1-CG2 4.16Å
464P29.2Very low30.3Very low124 Ų124111 Ų11181%0.80568%0.683SS**  trans-79.9138.3173.7-1027.3000111.7
465V27.8Very low30.5Very low116 Ų116109.7 Ų109.770%0.70367%0.672SS**  trans-139.8137.4176.7-167.50000111.8V463V463-V465 HydrophobicContact CG1-CG2 4.16Å
466K26.6Very low31Very low179 Ų179115 Ų11578%0.77867%0.674SS**  trans-151.5160.6167.7-72.4-175.9177.7-178.80106.8
467P40.1Very low31.4Very low114 Ų114108.6 Ų108.674%0.7465%0.65SS**SBendcis-110.1-152.23.146.3-34.9000110.2
468P34.2Very low31.7Very low109 Ų109105 Ų10571%0.70864%0.639SS**  trans-85.9154-162.435.8-36.9000115.4
469V29Very low31.8Very low109 Ų109102 Ų10266%0.66162%0.618SS**  trans-134.1126.7165.8179.70000108.8G471V469-G471 PolarHBondContact O-N 2.95Å
470P32.2Very low32.2Very low139 Ų139102.4 Ų102.490%0.90362%0.621SS**SBendtrans-78.486.2174.331.6-33.1000110.4
471G32.6Very low32.4Very low48 Ų4899.4 Ų99.450%0.49561%0.608SS.*SBendtrans-172.3164.2179.400000114.1V469V469-G471 PolarHBondContact O-N 2.95Å
472S30.8Very low32.4Very low87 Ų87101.4 Ų101.461%0.60861%0.613SS**  trans-72.2125.3174.150.70000111P474S472-P474 WeakPolarHBondContact O-CD 3.32Å
473L30.7Very low32.6Very low108 Ų10899.4 Ų99.457%0.56560%0.597SS**  trans-99.6101.9-177.5-65.9173.3000112.3V475L473-V475 PolarHBondContact O-N 2.98Å
474P35Very low32.9Very low104 Ų10498.6 Ų98.668%0.67559%0.594SS**  trans-84.283.7176.634.2-35.9000111.8S472 K476S472-P474 WeakPolarHBondContact O-CD 3.32Å; P474-K476 PolarHBondContact O-N 2.77Å
475V32.8Very low33Very low98 Ų9896.3 Ų96.359%0.59458%0.577SS**  trans-68.5121.7179.4-173.10000111.4L473L473-V475 PolarHBondContact O-N 2.98Å
476K36.5Very low33.1Very low183 Ų18399.3 Ų99.380%0.79658%0.58SS**  trans-133.997.9166.6-65.2178.6-178.6177.20107.8P474P474-K476 PolarHBondContact O-N 2.77Å
477P40.6Very low33.6Very low61 Ų6193.2 Ų93.240%0.39656%0.558SS.*SBend-137.5-178.898.238.3-27000113V479P477-V479 HydrophobicContact CG-CG2 4.42Å
478L31.2Very low33.4Very low101 Ų10192.2 Ų92.253%0.52955%0.552SS.*  trans-70.8130168.8-179.467.1000109.7P498L478-P498 HydrophobicContact CD1-CG 3.94Å; L478-P498 WeakPolarHBondContact CD1-O 3.31Å
479V33Very low33.5Very low33 Ų3389.5 Ų89.520%0.253%0.533CS..  trans-127.9119.4-179.7-178.40000111P477 L483P477-V479 HydrophobicContact CG-CG2 4.42Å; V479-L483 HydrophobicContact CB-CD1 4.19Å; V479-L483 HydrophobicContact CG1-CD1 3.98Å; V479-L483 HydrophobicContact CG1-CD2 4.2Å; V479-L483 HydrophobicContact CG1-CG 4.02Å; V479-L483 HydrophobicContact CG2-CD1 4.31Å
480T36.6Very low33.8Very low98 Ų9890.8 Ų90.860%0.60154%0.541SS*.  trans-103.184.8170.2200000109.6
481G33.8Very low33.9Very low27 Ų2785.2 Ų85.228%0.27851%0.509SS..SBendtrans166.6161.4177.800000112.7L483G481-L483 PolarHBondContact O-N 2.97Å
482P32.8Very low34Very low82 Ų8286.4 Ų86.453%0.53251%0.508SS..  trans-70.3127.2179.528.3-33.9000111.8P484P482-P484 WeakPolarHBondContact O-CD 3.35Å
483L31.2Very low34.2Very low67 Ų6784.8 Ų84.835%0.35149%0.494SS..  trans-106.9102.8178.6-75.1172.4000111.6V479 G481 V485V479-L483 HydrophobicContact CB-CD1 4.19Å; V479-L483 HydrophobicContact CG1-CD1 3.98Å; V479-L483 HydrophobicContact CG1-CD2 4.2Å; V479-L483 HydrophobicContact CG1-CG 4.02Å; V479-L483 HydrophobicContact CG2-CD1 4.31Å; G481-L483 PolarHBondContact O-N 2.97Å; L483-V485 PolarHBondContact O-N 2.99Å
484P34Very low34.6Very low84 Ų8482.5 Ų82.555%0.54549%0.486SS..  trans-85.390.5179.133-34.3000112.3P482 K486P482-P484 WeakPolarHBondContact O-CD 3.35Å; P484-K486 PolarHBondContact O-N 3.06Å
485V31.6Very low34.7Very low75 Ų7581 Ų8146%0.45548%0.475SS..  trans-75.8121176.9-176.90000111L483L483-V485 PolarHBondContact O-N 2.99Å
486K29.7Very low34.8Very low179 Ų17984 Ų8478%0.77848%0.48SS*.  trans-116.832.3-175.5-68.7-173.6176.7179.60114.3P484P484-K486 PolarHBondContact O-N 3.06Å
487V37.6Very low35.1Very low52 Ų5276.4 Ų76.432%0.31545%0.45SS..SBendtrans-135.8132.3-179.1-168.40000110.1P507V487-P507 VanDerWaalsContact O-CG 3.3Å; V487-P507 WeakPolarHBondContact O-CG 3.37Å
488P35.9Very low35Very low93 Ų9376.9 Ų76.960%0.60445%0.453SS*.  trans-68.8146.917330-35.1000111.2P507P488-P507 HydrophobicContact CB-CB 4.23Å
489V36Very low35.2Very low52 Ų5274.1 Ų74.132%0.31544%0.44SS..BIsolated β-bridgetrans-129.2119-176.5-177.30000110.9V493V489-V493 HydrophobicContact CG1-CG2 3.79Å
490T36.1Very low35.5Very low135 Ų13577.1 Ų77.183%0.82846%0.458SS*.  trans-101.982.6173.220.10000110.1
491G34Very low35.4Very low22 Ų2273.6 Ų73.623%0.22744%0.441CS..SBendtrans168.8166.4177.900000113.2
492P33.6Very low35.3Very low74 Ų7476 Ų7648%0.48145%0.452SS..  trans-70.3130175.629.1-33.6000111P512P492-P512 HydrophobicContact CB-CG 4.49Å
493V36.3Very low35.3Very low52 Ų5274.2 Ų74.232%0.31544%0.439SS..  trans-112.6105-177.8-177.30000110.4V489 V495V489-V493 HydrophobicContact CG1-CG2 3.79Å; V493-V495 HydrophobicContact CG1-CG2 4.4Å
494P37.3Very low35.5Very low61 Ų6173.9 Ų73.940%0.39644%0.441SS..  trans-95.1100.6178.59.410.7000111
495V37.4Very low35.5Very low71 Ų7172.3 Ų72.343%0.4343%0.43SS..  trans-75.5135.8174.4-173.20000110.1V493V493-V495 HydrophobicContact CG1-CG2 4.4Å
496K36.1Very low35.5Very low161 Ų16176.8 Ų76.870%0.744%0.443SS*.  trans-134.2-11.2-174-82.7-168.5172.9-177.10119.6
497P42.8Very low36.1Very low25 Ų2569.2 Ų69.216%0.16241%0.413CS..SBendtrans-90.8152.2164.234.2-30.7000111.4
498P38.1Very low36.2Very low71 Ų7170.6 Ų70.646%0.46142%0.422SS..  trans-67.7145.6166.130.8-34000110.1L478L478-P498 HydrophobicContact CD1-CG 3.94Å; L478-P498 WeakPolarHBondContact CD1-O 3.31Å
499V36.1Very low36.3Very low42 Ų4267.9 Ų67.926%0.25540%0.404SS..  trans-122.1129.7-179.1-177.90000110V503V499-V503 HydrophobicContact CG1-CG2 3.8Å
500T38.1Very low36.4Very low97 Ų9769.7 Ų69.760%0.59542%0.415SS*.  trans-120.790.4176.7-48.60000108.6
501G34.4Very low36.4Very low23 Ų2364 Ų6424%0.23738%0.383CS..SBendtrans153.1162.8-178.800000112.9
502P33.2Very low36.4Very low77 Ų7766.2 Ų66.250%0.539%0.394SS..  trans-72.5134.217829.9-34.2000111.4
503V32.5Very low36.6Very low46 Ų4664.7 Ų64.728%0.27938%0.383SS..  trans-117.7102.7-179.9-176.30000110.2V499 V505V499-V503 HydrophobicContact CG1-CG2 3.8Å; V503-V505 HydrophobicContact CG1-CG2 4.16Å; V503-V505 PolarHBondContact O-N 3.06Å
504P35Very low36.7Very low60 Ų6064.9 Ų64.939%0.3939%0.386SS..  trans-86103.9178.4-3.622.6000111
505V34.1Very low36.7Very low50 Ų5064.1 Ų64.130%0.30338%0.379SS..  trans-92.9133.7170.9-171.90000109.2V503V503-V505 HydrophobicContact CG1-CG2 4.16Å; V503-V505 PolarHBondContact O-N 3.06Å
506K31.1Very low36.5Very low169 Ų16968 Ų6874%0.73539%0.39SS*.  trans-122.8-20.9-174.6-73.5-165174.4-172.30118.5T527K506-T527 WeakPolarHBondContact O-CG2 3.49Å
507P41.6Very low36.5Very low21 Ų2161.4 Ų61.414%0.13636%0.364CS..SBendtrans-89.9154.7171.432.1-28.8000112.1V487 P488V487-P507 VanDerWaalsContact O-CG 3.3Å; V487-P507 WeakPolarHBondContact O-CG 3.37Å; P488-P507 HydrophobicContact CB-CB 4.23Å
508P40.2Very low36.1Very low80 Ų8064.2 Ų64.252%0.51938%0.382SS..  trans-68.5154.817530.3-35.6000112
509V38.5Very low35.9Very low36 Ų3663 Ų6322%0.21837%0.373CS..EExtended strand (participates in β ladder)trans-121.1130.6-179.6179.90000110.1V513V509-V513 HydrophobicContact CG1-CG2 4.04Å
510T38.2Very low35.8Very low90 Ų9068.6 Ų68.655%0.55239%0.394SS*.EExtended strand (participates in β ladder)trans-123.695.5178.4-510000109.3
511G34.8Very low35.6Very low15 Ų1566.3 Ų66.316%0.15539%0.389CS..SBendtrans158.8166.8-177.400000112.9
512P35Very low35.2Very low70 Ų7070.1 Ų70.146%0.45540%0.404SS..  trans-74131.9176.930-33.5000111.4P492 P532P492-P512 HydrophobicContact CB-CG 4.49Å; P512-P532 HydrophobicContact CB-CG 4.31Å
513V36.9Very low35.1Very low42 Ų4270.8 Ų70.826%0.25541%0.407SS..EExtended strand (participates in β ladder)trans-118.6106.4-177.6-175.30000110.7V509 V515V509-V513 HydrophobicContact CG1-CG2 4.04Å; V513-V515 HydrophobicContact CG1-CG2 4.24Å
514P38.3Very low34.9Very low56 Ų5671.7 Ų71.736%0.36442%0.415SS..EExtended strand (participates in β ladder)trans-99.8113.7176.934.2-28.5000112.1
515V37.8Very low34.6Very low44 Ų4471.1 Ų71.127%0.26741%0.41SS..EExtended strand (participates in β ladder)trans-103.8130177.9-1760000110.8V513 S534V513-V515 HydrophobicContact CG1-CG2 4.24Å; V515-S534 PolarHBondContact N-O 2.87Å
516K32.8Very low34.4Very low152 Ų15277.5 Ų77.566%0.66143%0.434SS*.  trans-137.631.2-171.4-64.9-165.1172.9-1670114.8
517T37.2Very low34.5Very low24 Ų2471.2 Ų71.215%0.14741%0.409CS..SBendtrans-138.9129.1-177.648.90000110.7T537T517-T537 WeakPolarHBondContact O-CG2 3.5Å
518P34.7Very low34Very low84 Ų8474.9 Ų74.955%0.54543%0.428SS..  trans-62.7146178.928-35000111.5P538P518-P538 HydrophobicContact CB-CG 4.45Å
519V34.3Very low33.7Very low44 Ų4473 Ų7327%0.26741%0.414SS..BIsolated β-bridgetrans-123.4133-175.9-178.70000110V523V519-V523 HydrophobicContact CG1-CG2 4.1Å
520K33.7Very low33.4Very low161 Ų16174.7 Ų74.770%0.743%0.425SS*.  trans-118.1105.1165.5-77.8-171.1173.6-173.70108.7
521G33.3Very low33.1Very low48 Ų4871.2 Ų71.250%0.49541%0.407SS..SBendtrans151.2165.4178.200000113.5V523G521-V523 PolarHBondContact O-N 2.85Å
522L26.1Very low33Very low104 Ų10474 Ų7455%0.54542%0.422SS..  trans-74.8115.4178.9-167.481.8000110.7
523V30.5Very low33.1Very low91 Ų9172.8 Ų72.855%0.55241%0.413SS*.  trans-98.7121.7173.3-179.30000108.9V519 G521 T525V519-V523 HydrophobicContact CG1-CG2 4.1Å; G521-V523 PolarHBondContact O-N 2.85Å; V523-T525 HydrophobicContact CG1-CG2 4.41Å
524S28.4Very low32.8Very low64 Ų6473.7 Ų73.745%0.44842%0.422SS..  trans-128.3105.1178.8-165.70000111
525T29.3Very low32.6Very low48 Ų4873 Ų7329%0.29442%0.416SS..  trans-110.2129.8176.749.90000109.4V523 T547V523-T525 HydrophobicContact CG1-CG2 4.41Å; T525-T547 WeakPolarHBondContact O-CG2 3.19Å
526K30.1Very low32.3Very low185 Ų18576.2 Ų76.280%0.80443%0.428SS*.  trans-121.143.3-177.2-66.4-169.6175.9-173.30112.8
527T33.4Very low32.5Very low36 Ų3669.5 Ų69.522%0.22140%0.4CS..SBendtrans-143.6146.6-174.340.60000112.9K506K506-T527 WeakPolarHBondContact O-CG2 3.49Å
528L30.8Very low32.1Very low99 Ų9972.1 Ų72.152%0.51842%0.418SS..  trans-63.5140.7175.8-178.766000111.7
529V33.1Very low32Very low39 Ų3971.2 Ų71.224%0.23641%0.41CS..EExtended strand (participates in β ladder)trans-122.7130.1175.2179.90000110V533V529-V533 HydrophobicContact CG1-CG2 4.05Å
530T32.9Very low31.7Very low73 Ų7374.4 Ų74.445%0.44843%0.43SS..EExtended strand (participates in β ladder)trans-125.296.5-179.6-50.20000109.7
531G32.7Very low31.5Very low17 Ų1769.9 Ų69.918%0.17543%0.429CS..SBendtrans158167-178.400000112.5
532P32.6Very low31Very low73 Ų7374.5 Ų74.547%0.47444%0.442SS..  trans-73129.8175.130.4-33.3000111.1P512P512-P532 HydrophobicContact CB-CG 4.31Å
533V35.3Very low31.2Very low44 Ų4473.3 Ų73.327%0.26745%0.447SS..EExtended strand (participates in β ladder)trans-110.9142.8-179.3-178.30000109.6V529 V535V529-V533 HydrophobicContact CG1-CG2 4.05Å; V533-V535 HydrophobicContact CG1-CG2 4.22Å
534S31.5Very low30.9Very low62 Ų6274.1 Ų74.143%0.43445%0.454SS..EExtended strand (participates in β ladder)trans-143120.7177.1-690000111.7V515V515-S534 PolarHBondContact N-O 2.87Å
535V34.9Very low31Very low41 Ų4174.7 Ų74.725%0.24845%0.452CS..EExtended strand (participates in β ladder)trans-123.8130.1-177.4-176.50000109.5V533 T537 Q556V533-V535 HydrophobicContact CG1-CG2 4.22Å; V535-T537 WeakPolarHBondContact CG1-OG1 3.21Å; V535-Q556 PolarHBondContact O-N 3.34Å
536Q31.7Very low31Very low111 Ų11179.3 Ų79.352%0.51948%0.475SS..EExtended strand (participates in β ladder)trans-135.175.9-179.8-70-179.9-16.600109.8
537T35.3Very low31.1Very low11 Ų1172 Ų727%0.06745%0.446CS..  trans-152.1135.1-173.355.70000111.3T517 V535 T557T517-T537 WeakPolarHBondContact O-CG2 3.5Å; V535-T537 WeakPolarHBondContact CG1-OG1 3.21Å; T537-T557 WeakPolarHBondContact O-CG2 3.33Å
538P30.6Very low31Very low79 Ų7974.5 Ų74.551%0.51346%0.463SS..  trans-68.5146.5163.431.2-33.7000110.1P518P518-P538 HydrophobicContact CB-CG 4.45Å
539V30.6Very low30.9Very low65 Ų6571.3 Ų71.339%0.39445%0.447SS..BIsolated β-bridgetrans-130.6145.5179.9-179.70000108.8T557V539-T557 HydrophobicContact CG2-CG2 4.32Å
540T29.3Very low30.8Very low112 Ų11277.6 Ų77.669%0.68747%0.471SS*.  trans-142107.6176.2-270000109.1
541G28.8Very low30.7Very low65 Ų6575.3 Ų75.367%0.6746%0.463SS*.SBendtrans146161.9-177.600000113.2
542L23.7Very low30.6Very low145 Ų14578.8 Ų78.876%0.75948%0.482SS*.  trans-70.2136.2178.3-63.7171.4000111.3
543A28.9Very low30.6Very low79 Ų7976.8 Ų76.865%0.65347%0.471SS*.  trans-141.775.4-175.600000113.2N545A543-N545 PolarHBondContact O-N 3Å; A543-N545 VanDerWaalsContact O-N 3.12Å
544P25.8Very low30.4Very low108 Ų10877.4 Ų77.470%0.70148%0.478SS*.  trans-71.5103.617229.9-33000110.1
545N29.1Very low30.5Very low77 Ų7777.4 Ų77.441%0.41248%0.475SS..  trans-118.4120.4-177.4-164.314.4000112.1A543 S564A543-N545 PolarHBondContact O-N 3Å; A543-N545 VanDerWaalsContact O-N 3.12Å; N545-S564 WeakPolarHBondContact O-CB 3.42Å
546N29.4Very low30.2Very low144 Ų14479.8 Ų79.877%0.7748%0.484SS*.  trans-123.174.7-176.7-75.2-22.6000110
547T31.9Very low30.2Very low32 Ų3275.7 Ų75.720%0.19647%0.466CS..  trans-133.4121.1179.553.40000111.7T525T525-T547 WeakPolarHBondContact O-CG2 3.19Å
548P31.4Very low29.9Very low89 Ų8978.4 Ų78.458%0.57849%0.486SS*.  trans-64.1134.2169.9-20.333000111.4
549V29.9Very low29.8Very low31 Ų3176.9 Ų76.919%0.18848%0.475CS..BIsolated β-bridgetrans-117.4136.4174178.70000108.3V566V549-V566 HydrophobicContact CB-CG1 4.38Å
550K30.5Very low29.7Very low171 Ų17179 Ų7974%0.74349%0.489SS*.  trans-122.480.3178.3-166.3174-177.4177.70110.6
551G31Very low29.9Very low26 Ų2680 Ų8027%0.26849%0.485SS..SBendtrans168.6168.1179.400000112.7A553G551-A553 PolarHBondContact O-N 2.64Å
552P31.3Very low29.9Very low90 Ų9080.9 Ų80.958%0.58448%0.479SS*.  trans-68.8126.5176.528.7-33.7000110.8
553A31.8Very low30.2Very low30 Ų3079.8 Ų79.825%0.24848%0.478CS..EExtended strand (participates in β ladder)trans-112.4142.7-179.700000111.5G551G551-A553 PolarHBondContact O-N 2.64Å
554S31.8Very low30.3Very low57 Ų5778.8 Ų78.840%0.39947%0.466SS..EExtended strand (participates in β ladder)trans-135.4119.6174.5-1640000110.8
555T32.8Very low30.4Very low63 Ų6377.7 Ų77.739%0.38746%0.459SS..EExtended strand (participates in β ladder)trans-123.8129.8-172.3-35.60000110.1
556Q28.6Very low30.6Very low90 Ų9077.1 Ų77.142%0.42146%0.458SS..EExtended strand (participates in β ladder)trans-123.5107.6171.2-67.1-177.610.200109.1V535 K573V535-Q556 PolarHBondContact O-N 3.34Å; Q556-K573 HydrophobicContact CG-CB 4.37Å
557T32Very low30.8Very low25 Ų2574.8 Ų74.815%0.15345%0.451CS..  trans-150.3140.6-173.324.20000110.7T537 V539 V559 T574T537-T557 WeakPolarHBondContact O-CG2 3.33Å; V539-T557 HydrophobicContact CG2-CG2 4.32Å; T557-V559 HydrophobicContact CG2-CG2 4.43Å; T557-T574 VanDerWaalsContact O-CA 3.23Å; T557-T574 WeakPolarHBondContact O-CA 3.41Å; T557-T574 VanDerWaalsContact O-CB 3.27Å; T557-T574 WeakPolarHBondContact O-CB 3.34Å; T557-T574 VanDerWaalsContact O-CG2 3.3Å; T557-T574 WeakPolarHBondContact O-CG2 3.34Å
558S28.2Very low31Very low68 Ų6874.1 Ų74.148%0.47645%0.451SS..  trans-85.6123.9156.652.40000108.1
559V28.7Very low31.1Very low47 Ų4773.7 Ų73.729%0.28545%0.448SS..  trans-139.3142.6-178.2-161.70000109.1T557T557-V559 HydrophobicContact CG2-CG2 4.43Å
560T29.3Very low31.4Very low111 Ų11173.4 Ų73.468%0.68145%0.449SS*.SBendtrans-109.14.5-175.7-28.30000113.3
561E32.5Very low31.5Very low133 Ų13367.3 Ų67.362%0.62143%0.43SS*.SBendtrans-142.9159.5-173.9-77.3-59.2149.700110.9
562P29.6Very low31.8Very low83 Ų8368.9 Ų68.954%0.53943%0.434SS..  trans-76.5160.3-170.131.2-34.9000114.3
563V29.5Very low31.8Very low121 Ų12169.1 Ų69.173%0.73343%0.426SS*.  trans-117.3133.4-168.5-179.30000112
564S31.4Very low32Very low58 Ų5868.8 Ų68.841%0.40642%0.421SS..  trans-72.5154.3175.6-66.40000113.4N545N545-S564 WeakPolarHBondContact O-CB 3.42Å
565P28Very low31.9Very low85 Ų8569.7 Ų69.755%0.55243%0.427SS*.  trans-76.3152.2-160.628.8-36.4000116.1T584P565-T584 HydrophobicContact CB-CG2 4.44Å; P565-T584 HydrophobicContact CG-CG2 4.41Å
566V32.5Very low31.9Very low65 Ų6568 Ų6839%0.39442%0.417SS..  trans-121.1123.81741750000109.8V549 G568V549-V566 HydrophobicContact CB-CG1 4.38Å; V566-G568 PolarHBondContact O-N 2.76Å; V566-G568 VanDerWaalsContact O-N 3.16Å
567P34.2Very low32Very low96 Ų9672.3 Ų72.362%0.62343%0.434SS*.SBendtrans-79.193.4176.1-12.829.6000112.2
568G36Very low32.1Very low18 Ų1872.6 Ų72.619%0.18644%0.442CS..SBendtrans164176.9172.200000114.7V566 A570V566-G568 PolarHBondContact O-N 2.76Å; V566-G568 VanDerWaalsContact O-N 3.16Å; G568-A570 PolarHBondContact O-N 2.9Å
569P33Very low32.1Very low80 Ų8076.2 Ų76.252%0.51945%0.451SS..  trans-65.1116.2174.827.5-33.8000110.3P589P569-P589 HydrophobicContact CB-CG 4.37Å
570A36.2Very low32.1Very low25 Ų2576.1 Ų76.121%0.20745%0.451CS..EExtended strand (participates in β ladder)trans-121.6135.1-171.500000112.1G568G568-A570 PolarHBondContact O-N 2.9Å
571A33.3Very low32.1Very low43 Ų4374 Ų7436%0.35544%0.441SS..EExtended strand (participates in β ladder)trans-118104.1175.400000109.8
572V36.2Very low32Very low58 Ų5870.9 Ų70.935%0.35243%0.431SS..EExtended strand (participates in β ladder)trans-97128.5-172.7-176.50000110.6T574 S591 Q593V572-T574 HydrophobicContact CG1-CG2 3.87Å; V572-T574 WeakPolarHBondContact CG1-OG1 3.46Å; V572-S591 PolarHBondContact N-O 3.47Å; V572-Q593 PolarHBondContact O-N 2.71Å
573K31.6Very low31.8Very low95 Ų9575.5 Ų75.541%0.41344%0.442SS..EExtended strand (participates in β ladder)trans-130.575.8177.9-68.8-173.5175.9-1730110.3Q556 Q593Q556-K573 HydrophobicContact CG-CB 4.37Å; K573-Q593 VanDerWaalsContact CE-OE1 3.27Å; K573-Q593 HydrophobicContact CG-CB 4.41Å
574T35.9Very low31.8Very low24 Ų2473.8 Ų73.815%0.14743%0.432CS..  trans-132.4116.9-175.557.30000110.4T557 V572 V576 T594T557-T574 VanDerWaalsContact O-CA 3.23Å; T557-T574 WeakPolarHBondContact O-CA 3.41Å; T557-T574 VanDerWaalsContact O-CB 3.27Å; T557-T574 WeakPolarHBondContact O-CB 3.34Å; T557-T574 VanDerWaalsContact O-CG2 3.3Å; T557-T574 WeakPolarHBondContact O-CG2 3.34Å; V572-T574 HydrophobicContact CG1-CG2 3.87Å; V572-T574 WeakPolarHBondContact CG1-OG1 3.46Å; T574-V576 PolarHBondContact O-N 2.79Å; T574-T594 PolarHBondContact N-OG1 2.75Å; T574-T594 WeakPolarHBondContact O-CB 3.38Å; T574-T594 PolarHBondContact O-OG1 3.37Å
575S30.3Very low31.7Very low75 Ų7577.6 Ų77.652%0.52444%0.444SS..  trans-79.2120.7176.6-1560000108.5
576V33.6Very low31.8Very low28 Ų2875.8 Ų75.817%0.1743%0.431CS..EExtended strand (participates in β ladder)trans-122.4135.3-172.3-177.20000110.1T574 V580T574-V576 PolarHBondContact O-N 2.79Å; V576-V580 HydrophobicContact CG1-CG2 3.8Å
577K30.7Very low31.8Very low181 Ų18178.2 Ų78.279%0.78745%0.446SS*.EExtended strand (participates in β ladder)trans-125.786.5176-166.8-179.6-174.8-174.90107.8
578G32.5Very low31.7Very low30 Ų3074.5 Ų74.531%0.30943%0.425SS..SBendtrans159.3170.5-170.500000112.5
579Q28.4Very low31.6Very low144 Ų14477.1 Ų77.167%0.67344%0.439SS*.  trans-73.9129.4-179.6-171.8-179.219.600111.1
580V29Very low31.7Very low46 Ų4676.2 Ų76.228%0.27943%0.429SS..  trans-111.3120.9177.9-178.40000110V576 T582V576-V580 HydrophobicContact CG1-CG2 3.8Å; V580-T582 HydrophobicContact CG1-CG2 4.45Å
581S28.8Very low31.6Very low66 Ų6677.2 Ų77.246%0.46244%0.435SS..  trans-121.5128.1174.9-172.20000109.6
582T31.4Very low31.8Very low68 Ų6878 Ų7842%0.41744%0.435SS..BIsolated β-bridgetrans-120.8130178.3510000110.3V580V580-T582 HydrophobicContact CG1-CG2 4.45Å
583K26.2Very low31.6Very low179 Ų17978.9 Ų78.978%0.77844%0.435SS*.  trans-126.2113.8174.1-70.6-178.7178.71780108.2
584T29.1Very low31.8Very low85 Ų8575.6 Ų75.652%0.52142%0.424SS..SBendtrans150.4146.3161.3-67.80000109.4P565 T604P565-T584 HydrophobicContact CB-CG2 4.44Å; P565-T584 HydrophobicContact CG-CG2 4.41Å; T584-T604 WeakPolarHBondContact O-CG2 3.46Å
585Q28.3Very low31.6Very low139 Ų13977.1 Ų77.165%0.6543%0.434SS*.  trans-61.8153.2177.2-66.3178.1-2.200112.4
586V30.3Very low31.8Very low46 Ų4674.7 Ų74.728%0.27942%0.416SS..BIsolated β-bridgetrans-129.2130172.8-178.70000110.6L590V586-L590 HydrophobicContact CB-CD1 4.16Å; V586-L590 HydrophobicContact CG1-CD1 4.01Å; V586-L590 HydrophobicContact CG1-CD2 4.16Å; V586-L590 HydrophobicContact CG1-CG 4.04Å; V586-L590 HydrophobicContact CG2-CD1 4.27Å
587T32.5Very low31.9Very low116 Ų11677.3 Ų77.371%0.71243%0.432SS*.  trans-111.580.1179.2-38.70000109.6
588G32.6Very low31.9Very low19 Ų1969.6 Ų69.620%0.19640%0.403CS..SBendtrans157.8167.3-179.800000113.5
589P33.2Very low31.9Very low73 Ų7371.2 Ų71.247%0.47441%0.409SS..  trans-69.6133.4-178.628.6-34.8000111.8P569 P609P569-P589 HydrophobicContact CB-CG 4.37Å; P589-P609 WeakPolarHBondContact CA-O 3.5Å; P589-P609 HydrophobicContact CB-CG 4.48Å
590L36.5Very low32.2Very low60 Ų6065.9 Ų65.931%0.31439%0.386SS..EExtended strand (participates in β ladder)trans-109.4137.5179.6-77.5168.9000111.5V586 P609 S611V586-L590 HydrophobicContact CB-CD1 4.16Å; V586-L590 HydrophobicContact CG1-CD1 4.01Å; V586-L590 HydrophobicContact CG1-CD2 4.16Å; V586-L590 HydrophobicContact CG1-CG 4.04Å; V586-L590 HydrophobicContact CG2-CD1 4.27Å; L590-P609 PolarHBondContact N-O 3.3Å; L590-S611 PolarHBondContact O-N 2.85Å; L590-S611 VanDerWaalsContact O-N 3.11Å
591S34.2Very low32.5Very low46 Ų4665.3 Ų65.332%0.32238%0.383SS..EExtended strand (participates in β ladder)trans-137.7115176.1-81.40000112.1V572V572-S591 PolarHBondContact N-O 3.47Å
592V36.7Very low32.8Very low60 Ų6064.3 Ų64.336%0.36437%0.374SS..EExtended strand (participates in β ladder)trans-109.7126.8178.6-175.40000109.6S611 K613V592-S611 PolarHBondContact N-O 3.37Å; V592-K613 PolarHBondContact O-N 3.18Å; V592-K613 VanDerWaalsContact O-N 3.14Å
593Q32.1Very low32.8Very low76 Ų7666.9 Ų66.936%0.35538%0.379SS..  trans-133.146.2-170.1-59.6-175.214.600113.4V572 K573 K613 T614V572-Q593 PolarHBondContact O-N 2.71Å; K573-Q593 VanDerWaalsContact CE-OE1 3.27Å; K573-Q593 HydrophobicContact CG-CB 4.41Å; Q593-K613 HydrophobicContact CG-CB 4.33Å; Q593-T614 VanDerWaalsContact C-OG1 3.3Å
594T35.6Very low33.1Very low27 Ų2759.4 Ų59.417%0.16635%0.349CS..SBendtrans-145.4154.2175.834.70000112.5T574 T614T574-T594 PolarHBondContact N-OG1 2.75Å; T574-T594 WeakPolarHBondContact O-CB 3.38Å; T574-T594 PolarHBondContact O-OG1 3.37Å; T594-T614 PolarHBondContact N-OG1 2.71Å; T594-T614 WeakPolarHBondContact O-CB 3.29Å
595P32.6Very low33.3Very low56 Ų5658.2 Ų58.236%0.36434%0.343SS..  trans-73.4149.8177.431.9-34.1000111T614 Q615P595-T614 HydrophobicContact CB-CG2 3.97Å; P595-T614 HydrophobicContact CG-CG2 4.43Å; P595-Q615 WeakPolarHBondContact CA-O 3.39Å
596V34.4Very low33.6Very low24 Ų2452.7 Ų52.715%0.14532%0.321CS..EExtended strand (participates in β ladder)trans-133.1135.3176.5-178.80000109.4V600 Q615 T617V596-V600 HydrophobicContact CG1-CG2 3.99Å; V596-Q615 PolarHBondContact N-O 3.05Å; V596-T617 PolarHBondContact O-N 3.41Å; V596-T617 VanDerWaalsContact O-N 3.11Å
597T34.7Very low33.8Very low83 Ų8357.5 Ų57.551%0.50934%0.342SS..EExtended strand (participates in β ladder)trans-120.3110.4174.3-47.20000108.2
598G31.2Very low33.8Very low18 Ų1852.8 Ų52.819%0.18632%0.317CS..SBendtrans129.8162.5-173.900000113.8T617G598-T617 PolarHBondContact N-O 3.39Å
599P33.3Very low33.8Very low64 Ų6455.3 Ų55.342%0.41633%0.33SS..  trans-73.5140-175.930-35.5000112.6P619P599-P619 WeakPolarHBondContact CA-O 3.46Å; P599-P619 HydrophobicContact CB-CG 4.24Å
600V33.3Very low33.9Very low33 Ų3353.6 Ų53.620%0.232%0.322CS..EExtended strand (participates in β ladder)trans-121.2101.9-177.1-174.50000111.2V596 V602 P619 S621V596-V600 HydrophobicContact CG1-CG2 3.99Å; V600-V602 HydrophobicContact CG1-CG2 4.14Å; V600-P619 PolarHBondContact N-O 3.28Å; V600-S621 PolarHBondContact O-N 3.49Å
601P35.2Very low33.8Very low33 Ų3352.5 Ų52.521%0.21432%0.319CS..EExtended strand (participates in β ladder)trans-87.7114.9172.132.4-31.5000111.7S621P601-S621 WeakPolarHBondContact CA-O 3.27Å
602V35.1Very low33.9Very low46 Ų4653.3 Ų53.328%0.27932%0.322SS..EExtended strand (participates in β ladder)trans-100.9121.2176-174.30000110.1V600 T604 S621 Q623V600-V602 HydrophobicContact CG1-CG2 4.14Å; V602-T604 WeakPolarHBondContact CG1-OG1 3.36Å; V602-S621 PolarHBondContact N-O 3.31Å; V602-Q623 PolarHBondContact O-N 3.08Å; V602-Q623 VanDerWaalsContact O-N 3.09Å
603K31Very low33.7Very low121 Ų12157 Ų5753%0.52633%0.333SS..  trans-128.554.1-177.8-58.5-158.7-174.2-144.80112
604T34.3Very low33.8Very low23 Ų2355.2 Ų55.214%0.14133%0.328CS..  trans-142.5122.4-172.8430000111.7T584 V602 T624T584-T604 WeakPolarHBondContact O-CG2 3.46Å; V602-T604 WeakPolarHBondContact CG1-OG1 3.36Å; T604-T624 PolarHBondContact N-OG1 3.2Å; T604-T624 PolarHBondContact O-OG1 3.12Å
605P32.7Very low33.7Very low60 Ų6059.7 Ų59.739%0.3935%0.347SS..  trans-65140.5168.3-17.330.9000110.6T624P605-T624 HydrophobicContact CG-CG2 4.33Å
606A34.5Very low33.6Very low23 Ų2358.9 Ų58.919%0.1934%0.341CS..EExtended strand (participates in β ladder)trans-131.9131.1-179.800000111.4
607M34Very low33.7Very low146 Ų14661.7 Ų61.772%0.71936%0.358SS*.EExtended strand (participates in β ladder)trans-109.982.6173.8-69.6170.263.400108.9
608G32.8Very low33.6Very low18 Ų1858.7 Ų58.719%0.18634%0.344CS..SBendtrans151.6163.5179.500000113.9
609P33.7Very low33.7Very low72 Ų7260.7 Ų60.747%0.46835%0.353SS..  trans-71.1136.1-177.729.2-34.8000111.9P589 L590P589-P609 WeakPolarHBondContact CA-O 3.5Å; P589-P609 HydrophobicContact CB-CG 4.48Å; L590-P609 PolarHBondContact N-O 3.3Å
610A34.1Very low33.7Very low37 Ų3760.3 Ų60.331%0.30635%0.35SS..EExtended strand (participates in β ladder)trans-123136-179.900000110.8P631A610-P631 WeakPolarHBondContact O-CD 3.43Å
611S34.8Very low33.7Very low37 Ų3760.1 Ų60.126%0.25935%0.35SS..EExtended strand (participates in β ladder)trans-136.9133.6179.9-1680000113.8L590 V592 P631L590-S611 PolarHBondContact O-N 2.85Å; L590-S611 VanDerWaalsContact O-N 3.11Å; V592-S611 PolarHBondContact N-O 3.37Å; S611-P631 PolarHBondContact OG-O 3.49Å
612T35.5Very low33.6Very low63 Ų6360 Ų6039%0.38735%0.351SS..EExtended strand (participates in β ladder)trans-111.8128.4176.749.70000110.2K633T612-K633 PolarHBondContact O-N 2.71Å
613K32.6Very low33.4Very low136 Ų13661.9 Ų61.959%0.59136%0.357SS*.  trans-122.121-166.9-150.1-171.4174.4-177.50115.2V592 Q593V592-K613 PolarHBondContact O-N 3.18Å; V592-K613 VanDerWaalsContact O-N 3.14Å; Q593-K613 HydrophobicContact CG-CB 4.33Å
614T34.4Very low33.3Very low40 Ų4057.3 Ų57.325%0.24534%0.34CS..SBendtrans-148.8160.4-175.8-43.70000111.6Q593 T594 P595 A634Q593-T614 VanDerWaalsContact C-OG1 3.3Å; T594-T614 PolarHBondContact N-OG1 2.71Å; T594-T614 WeakPolarHBondContact O-CB 3.29Å; P595-T614 HydrophobicContact CB-CG2 3.97Å; P595-T614 HydrophobicContact CG-CG2 4.43Å; T614-A634 WeakPolarHBondContact O-CB 3.43Å
615Q32.8Very low33.3Very low121 Ų12159.8 Ų59.857%0.56536%0.356SS*.  trans-59146.3-178.4-63.1-177.9-17.300112.3P595 V596 P635P595-Q615 WeakPolarHBondContact CA-O 3.39Å; V596-Q615 PolarHBondContact N-O 3.05Å; Q615-P635 HydrophobicContact CG-CG 3.86Å
616V31.8Very low33.4Very low39 Ų3958.6 Ų58.624%0.23635%0.348CS..EExtended strand (participates in β ladder)trans-129130173.9-179.60000108.3V620V616-V620 HydrophobicContact CG1-CG2 4.01Å
617T36.8Very low33.6Very low83 Ų8362 Ų6251%0.50937%0.366SS..EExtended strand (participates in β ladder)trans-119.196175.3-450000108.4V596 G598V596-T617 PolarHBondContact O-N 3.41Å; V596-T617 VanDerWaalsContact O-N 3.11Å; G598-T617 PolarHBondContact N-O 3.39Å
618G31.8Very low33.6Very low20 Ų2055.5 Ų55.521%0.20634%0.336CS..SBendtrans142.2155.6-176.600000112.2
619P33.4Very low33.7Very low60 Ų6057.2 Ų57.239%0.3934%0.344SS..  trans-70.7140.5-175.127.7-34.6000112.3P599 V600P599-P619 WeakPolarHBondContact CA-O 3.46Å; P599-P619 HydrophobicContact CB-CG 4.24Å; V600-P619 PolarHBondContact N-O 3.28Å
620V33Very low33.9Very low56 Ų5655.9 Ų55.934%0.33934%0.335SS..EExtended strand (participates in β ladder)trans-111.6129.7179.3-178.30000109.6V616 S641V616-V620 HydrophobicContact CG1-CG2 4.01Å; V620-S641 PolarHBondContact O-N 3.45Å
621S33Very low34.1Very low29 Ų2956 Ų5620%0.20333%0.332CS..EExtended strand (participates in β ladder)trans-131.7123.9178.2-167.90000111.7V600 P601 V602V600-S621 PolarHBondContact O-N 3.49Å; P601-S621 WeakPolarHBondContact CA-O 3.27Å; V602-S621 PolarHBondContact N-O 3.31Å
622A33.7Very low34.3Very low29 Ų2956.3 Ų56.324%0.2433%0.333CS..EExtended strand (participates in β ladder)trans-110.8133173.900000109.9
623Q29.8Very low34.4Very low86 Ų8658 Ų5840%0.40234%0.335SS..  trans-121.521.9-172.4-61.3-171.4-1400113.6V602V602-Q623 PolarHBondContact O-N 3.08Å; V602-Q623 VanDerWaalsContact O-N 3.09Å
624T30.9Very low34.7Very low26 Ų2652.2 Ų52.216%0.1631%0.312CS..SBendtrans-144.5143.5-177.840.90000111.2T604 P605 T644T604-T624 PolarHBondContact N-OG1 3.2Å; T604-T624 PolarHBondContact O-OG1 3.12Å; P605-T624 HydrophobicContact CG-CG2 4.33Å; T624-T644 PolarHBondContact O-OG1 3.02Å
625P32.8Very low34.6Very low74 Ų7452.2 Ų52.248%0.48131%0.313SS..  trans-63.6149.7178.928-35.5000112.1
626V35.1Very low34.8Very low36 Ų3647.5 Ų47.522%0.21829%0.294CS..EExtended strand (participates in β ladder)trans-127.8129.5-177.6178.60000109.1V630V626-V630 HydrophobicContact CG1-CG2 4.14Å
627T39Very low35.1Very low94 Ų9449 Ų4958%0.57731%0.311SS*.EExtended strand (participates in β ladder)trans-110.487178.6-44.20000109.6
628G33.3Very low35Very low9 Ų951.4 Ų51.49%0.09332%0.316CS..SBendtrans150.5162.6177.600000113.3
629P35.8Very low34.9Very low55 Ų5554.7 Ų54.736%0.35733%0.329SS..  trans-71.9141.9-172.928.2-35.9000113.2P631 L649P629-P631 WeakPolarHBondContact O-CD 3.49Å; P629-L649 VanDerWaalsContact CA-O 3.32Å; P629-L649 WeakPolarHBondContact CA-O 3.33Å; P629-L649 HydrophobicContact CB-CB 4.4Å
630V36.8Very low34.9Very low44 Ų4455 Ų5527%0.26733%0.326SS..EExtended strand (participates in β ladder)trans-120.590.3-174.5-173.40000111.6V626 V632 L649 L651V626-V630 HydrophobicContact CG1-CG2 4.14Å; V630-V632 HydrophobicContact CG1-CG2 4.29Å; V630-V632 PolarHBondContact O-N 3.28Å; V630-L649 PolarHBondContact N-O 2.98Å; V630-L651 PolarHBondContact O-N 3.24Å
631P38.8Very low34.9Very low39 Ų3953.7 Ų53.725%0.25332%0.32SS..EExtended strand (participates in β ladder)trans-83.7110.1176.230.4-34.1000112.9A610 S611 P629A610-P631 WeakPolarHBondContact O-CD 3.43Å; S611-P631 PolarHBondContact OG-O 3.49Å; P629-P631 WeakPolarHBondContact O-CD 3.49Å
632V39.3Very low34.9Very low44 Ų4455.1 Ų55.127%0.26733%0.327SS..EExtended strand (participates in β ladder)trans-95.7120.3178-177.80000110.7V630 A634 L651 C653V630-V632 HydrophobicContact CG1-CG2 4.29Å; V630-V632 PolarHBondContact O-N 3.28Å; V632-A634 HydrophobicContact CG1-CB 4.49Å; V632-L651 PolarHBondContact N-O 3.02Å; V632-C653 PolarHBondContact O-N 3.43Å; V632-C653 VanDerWaalsContact O-N 3.16Å
633K38.1Very low34.9Very low99 Ų9959.2 Ų59.243%0.4334%0.341SS..  trans-118.222-176.5-58.9-163.3172.7-174.60114.4T612 C653 K654T612-K633 PolarHBondContact O-N 2.71Å; K633-C653 HydrophobicContact CG-CB 4.01Å; K633-K654 WeakPolarHBondContact O-CD 3.31Å; K633-K654 WeakPolarHBondContact O-CE 3.48Å; K633-K654 PolarHBondContact O-NZ 3.34Å
634A38.7Very low35Very low13 Ų1356.5 Ų56.511%0.10733%0.33CS..SBendtrans-97.4145.1172.500000111.2T614 V632T614-A634 WeakPolarHBondContact O-CB 3.43Å; V632-A634 HydrophobicContact CG1-CB 4.49Å
635P33.1Very low35Very low41 Ų4158.7 Ų58.727%0.26635%0.345SS..  trans-73.9146.4153.134.9-29000108.2Q615 K654Q615-P635 HydrophobicContact CG-CG 3.86Å; P635-K654 HydrophobicContact CB-CD 4.27Å; P635-K654 HydrophobicContact CG-CD 4.28Å
636A35.3Very low35.1Very low22 Ų2256.8 Ų56.818%0.18233%0.332CS..BIsolated β-bridgetrans-128.3133.9175.600000108.9I640A636-I640 HydrophobicContact CB-CD1 4.47Å
637A39.8Very low35.3Very low70 Ų7058.7 Ų58.758%0.57934%0.344SS*.SBendtrans-91.6-19.3-179.800000113.2
638E33.4Very low35.5Very low133 Ų13358.9 Ų58.962%0.62134%0.338SS*.SBendtrans-147.4147.9179.1-69.6-167.2123.400113.3
639L29.4Very low35.5Very low90 Ų9061.1 Ų61.147%0.47135%0.348SS..  trans25.8102.3155-147.4152.6000118.7
640I34.5Very low35.5Very low67 Ų6761 Ų6134%0.34435%0.346SS..EExtended strand (participates in β ladder)trans-100.9129166-58.3173.6000108.6A636A636-I640 HydrophobicContact CB-CD1 4.47Å
641S32.3Very low35.4Very low28 Ų2861.6 Ų61.620%0.19635%0.347CS..EExtended strand (participates in β ladder)trans-135.3109.9-177.8-176.80000112.6V620V620-S641 PolarHBondContact O-N 3.45Å
642T33.4Very low35.3Very low59 Ų5961.6 Ų61.636%0.36235%0.347SS..EExtended strand (participates in β ladder)trans-102.1135.6172.450.60000110.3
643Q34Very low35Very low115 Ų11561.5 Ų61.554%0.53735%0.348SS..  trans-127.219-175.7-68-167.980.900113.8C664Q643-C664 VanDerWaalsContact CA-SG 3.53Å
644T30.9Very low34.9Very low28 Ų2861 Ų6117%0.17235%0.345CS..SBendtrans-136.9149.2174.549.10000110.7T624 C664T624-T644 PolarHBondContact O-OG1 3.02Å; T644-C664 PolarHBondContact N-SG 2.93Å
645P31.3Very low34.7Very low72 Ų7263.5 Ų63.547%0.46836%0.36SS..  trans-62.1150.2178.927.3-35.6000112.1P665P645-P665 HydrophobicContact CB-CG 4.46Å
646V35.3Very low34.9Very low35 Ų3563.1 Ų63.121%0.21236%0.358CS..BIsolated β-bridgetrans-125.4135.5177.7-1780000108.1E648 V650 T667V646-E648 WeakPolarHBondContact CG1-O 3.22Å; V646-V650 HydrophobicContact CG1-CG2 4.18Å; V646-T667 PolarHBondContact O-OG1 3.44Å
647T39.3Very low35.2Very low76 Ų7666.4 Ų66.447%0.46638%0.376SS..  trans-108.63-173.349.10000114.2
648E41.7Very low35Very low98 Ų9864.2 Ų64.246%0.45836%0.36SS..SBendtrans-147.6164-169.5-95.7-68167.300112.4V646 V650V646-E648 WeakPolarHBondContact CG1-O 3.22Å; E648-V650 PolarHBondContact O-N 3.47Å
649L33.7Very low35.2Very low55 Ų5561.1 Ų61.129%0.28835%0.351SS..  trans-55.7125.8-167.1178.162.3000115.3P629 V630 L651 L669P629-L649 VanDerWaalsContact CA-O 3.32Å; P629-L649 WeakPolarHBondContact CA-O 3.33Å; P629-L649 HydrophobicContact CB-CB 4.4Å; V630-L649 PolarHBondContact N-O 2.98Å; L649-L651 HydrophobicContact CD2-CD1 4.06Å; L649-L651 HydrophobicContact CG-CD1 4.34Å; L649-L669 HydrophobicContact CD1-CB 4.38Å; L649-L669 HydrophobicContact CD1-CD2 3.7Å; L649-L669 WeakPolarHBondContact CD1-O 3.4Å
650V35.7Very low35.6Very low53 Ų5359.2 Ų59.232%0.32134%0.343SS..EExtended strand (participates in β ladder)trans-105.1131.4173-178.30000110.6V646 E648 L671V646-V650 HydrophobicContact CG1-CG2 4.18Å; E648-V650 PolarHBondContact O-N 3.47Å; V650-L671 PolarHBondContact O-N 3.03Å
651L35.1Very low35.8Very low56 Ų5657.8 Ų57.829%0.29334%0.338SS..EExtended strand (participates in β ladder)trans-140.9112.2-168.5-141.1155.6000112.5V630 V632 L649 L671V630-L651 PolarHBondContact O-N 3.24Å; V632-L651 PolarHBondContact N-O 3.02Å; L649-L651 HydrophobicContact CD2-CD1 4.06Å; L649-L651 HydrophobicContact CG-CD1 4.34Å; L651-L671 HydrophobicContact CG-CB 4.46Å
652T36.5Very low36.2Very low40 Ų4058.7 Ų58.725%0.24534%0.342CS..EExtended strand (participates in β ladder)trans-106.8126.5-178.3580000111.7
653C34.4Very low36.3Very low42 Ų4262.7 Ų62.728%0.28436%0.355SS..  trans-109.77.7-168-61.50000115.1V632 K633V632-C653 PolarHBondContact O-N 3.43Å; V632-C653 VanDerWaalsContact O-N 3.16Å; K633-C653 HydrophobicContact CG-CB 4.01Å
654K35.8Very low36.5Very low88 Ų8857.9 Ų57.938%0.38333%0.334SS..SBendtrans-145.9156.5-176.8-81.6-176.3-179.2160.50110.4K633 P635K633-K654 WeakPolarHBondContact O-CD 3.31Å; K633-K654 WeakPolarHBondContact O-CE 3.48Å; K633-K654 PolarHBondContact O-NZ 3.34Å; P635-K654 HydrophobicContact CB-CD 4.27Å; P635-K654 HydrophobicContact CG-CD 4.28Å
655P34.5Very low36.7Very low65 Ų6559.8 Ų59.842%0.42235%0.346SS..  trans-60.2148.617627.7-36.6000111.2K674 P675P655-K674 HydrophobicContact CB-CB 4.45Å; P655-P675 WeakPolarHBondContact CA-O 3.4Å; P655-P675 WeakPolarHBondContact CB-O 3.32Å
656V37.2Very low37.1Very low34 Ų3458.2 Ų58.221%0.20634%0.336CS..BIsolated β-bridgetrans-120.8134.5172.1178.40000107.1V660 G676 I677V656-V660 HydrophobicContact CG1-CG2 4.32Å; V656-G676 VanDerWaalsContact O-CA 3.23Å; V656-G676 WeakPolarHBondContact O-CA 3.38Å; V656-I677 PolarHBondContact O-N 3.32Å
657T39.9Very low37.5Very low91 Ų9159.9 Ų59.956%0.55835%0.346SS*.BIsolated β-bridgetrans-110.1124.6173.2-45.90000107.3
658G36Very low37.5Very low24 Ų2461.3 Ų61.325%0.24735%0.347CS..SBendtrans109.4164.4-177.700000114.9I677G658-I677 PolarHBondContact N-O 3.25Å
659P37.7Very low37.1Very low67 Ų6759 Ų5944%0.43534%0.338SS..  trans-72.8145-169.729.3-36000113.3P661 P679P659-P661 WeakPolarHBondContact O-CD 3.49Å; P659-P679 HydrophobicContact CB-CG 4.4Å
660V37.4Very low37.3Very low51 Ų5158.8 Ų58.831%0.30934%0.338SS..  trans-118.687.4-179.6-174.40000110.5V656 V662V656-V660 HydrophobicContact CG1-CG2 4.32Å; V660-V662 HydrophobicContact CG1-CG2 4.47Å; V660-V662 PolarHBondContact O-N 2.94Å
661P40.4Very low37.3Very low37 Ų3758.4 Ų58.424%0.2433%0.334CS..  trans-8299.4-176.731.8-34.6000112.4P659 K663 P681P659-P661 WeakPolarHBondContact O-CD 3.49Å; P661-K663 PolarHBondContact O-N 3.2Å; P661-P681 HydrophobicContact CB-CG 4.31Å
662V39.3Very low37.5Very low46 Ų4657.7 Ų57.728%0.27933%0.333SS..BIsolated β-bridgetrans-81.8111176.1-175.40000110.4V660 V666V660-V662 HydrophobicContact CG1-CG2 4.47Å; V660-V662 PolarHBondContact O-N 2.94Å; V662-V666 HydrophobicContact CG1-CG2 4.48Å
663K36.1Very low37.5Very low143 Ų14361.3 Ų61.362%0.62235%0.346SS*.  trans-106.77.6-177.3-73.1-173.1176.1-179.50115P661P661-K663 PolarHBondContact O-N 3.2Å
664C38.4Very low37.4Very low15 Ų1564.6 Ų64.610%0.10136%0.356CS..SBendtrans-121.5149.2-176.5-60.90000111.9Q643 T644 A684Q643-C664 VanDerWaalsContact CA-SG 3.53Å; T644-C664 PolarHBondContact N-SG 2.93Å; C664-A684 VanDerWaalsContact C-CB 3.41Å; C664-A684 WeakPolarHBondContact O-CB 3.43Å
665P36Very low37.3Very low67 Ų6763.6 Ų63.644%0.43536%0.358SS..  trans-66.4140.6170.830-34.2000110P645 P685P645-P665 HydrophobicContact CB-CG 4.46Å; P665-P685 WeakPolarHBondContact CA-O 3.48Å
666V39.7Very low37.5Very low40 Ų4062 Ų6224%0.24235%0.354CS..BIsolated β-bridgetrans-119.7133-179.9179.20000108.3V662 E668 V670 T687V662-V666 HydrophobicContact CG1-CG2 4.48Å; V666-E668 WeakPolarHBondContact CG1-O 3.49Å; V666-V670 HydrophobicContact CG1-CG2 4.23Å; V666-T687 PolarHBondContact O-N 3.19Å
667T42.3Very low37.8Very low69 Ų6966 Ų6642%0.42337%0.373SS..  trans-108.8-11.2-17532.30000114.5V646 T687V646-T667 PolarHBondContact O-OG1 3.44Å; T667-T687 CarbonylContact C-O 3.52Å; T667-T687 VanDerWaalsContact C-O 3.31Å; T667-T687 WeakPolarHBondContact CA-O 3.39Å
668E39.4Very low37.7Very low107 Ų10762.6 Ų62.650%0.536%0.356SS..SBendtrans-151.8173.2173.4-101.4-49.4151.900113.5V666V666-E668 WeakPolarHBondContact CG1-O 3.49Å
669L33.1Very low37.8Very low50 Ų5064.7 Ų64.726%0.26237%0.365SS..  trans-47.6140-160.4-163.4137.1000117.9L649 L671 L689L649-L669 HydrophobicContact CD1-CB 4.38Å; L649-L669 HydrophobicContact CD1-CD2 3.7Å; L649-L669 WeakPolarHBondContact CD1-O 3.4Å; L669-L671 HydrophobicContact CD2-CB 4.43Å; L669-L671 HydrophobicContact CD2-CD1 3.51Å; L669-L671 HydrophobicContact CD2-CG 3.6Å; L669-L689 WeakPolarHBondContact CA-O 3.47Å; L669-L689 HydrophobicContact CD1-CB 3.84Å; L669-L689 HydrophobicContact CD1-CD1 4.42Å; L669-L689 HydrophobicContact CG-CB 4.3Å
670V39.1Very low37.9Very low49 Ų4964.2 Ų64.230%0.29736%0.361SS..EExtended strand (participates in β ladder)trans-119.8131.7174.2-179.50000110.7V666 L689 S691V666-V670 HydrophobicContact CG1-CG2 4.23Å; V670-L689 PolarHBondContact N-O 3.37Å; V670-S691 PolarHBondContact O-N 3.48Å
671L35.6Very low38.1Very low45 Ų4563.6 Ų63.624%0.23636%0.358CS..EExtended strand (participates in β ladder)trans-130126.2-179.4-92.3165.6000113.3V650 L651 L669V650-L671 PolarHBondContact O-N 3.03Å; L651-L671 HydrophobicContact CG-CB 4.46Å; L669-L671 HydrophobicContact CD2-CB 4.43Å; L669-L671 HydrophobicContact CD2-CD1 3.51Å; L669-L671 HydrophobicContact CD2-CG 3.6Å
672T39.2Very low38.1Very low42 Ų4264 Ų6426%0.25836%0.359SS..EExtended strand (participates in β ladder)trans-116.4136.417260.80000111.2
673H35.5Very low38.1Very low115 Ų11567.8 Ų67.853%0.53237%0.372SS..  trans-125.16.7-168.7-159.9-60.2000114
674K33.1Very low38.2Very low111 Ų11161.6 Ų61.648%0.48335%0.347SS..SBendtrans-144.6147.5173.2-71.5-61.7170.5-1710110.5P655 T694P655-K674 HydrophobicContact CB-CB 4.45Å; K674-T694 PolarHBondContact O-OG1 2.85Å
675P34.4Very low38.1Very low67 Ų6764.2 Ų64.244%0.43536%0.364SS..  trans-59.6153.7178.7-19.431.5000111.7P655 T694P655-P675 WeakPolarHBondContact CA-O 3.4Å; P655-P675 WeakPolarHBondContact CB-O 3.32Å; P675-T694 HydrophobicContact CG-CG2 4.21Å
676G37.8Very low38.4Very low32 Ų3262 Ų6233%0.3335%0.351SS..  trans-144.7153.8173.900000110.1V656V656-G676 VanDerWaalsContact O-CA 3.23Å; V656-G676 WeakPolarHBondContact O-CA 3.38Å
677I42.5Very low38.6Very low119 Ų11963.9 Ų63.961%0.6136%0.364SS*.BIsolated β-bridgetrans-116.2116.6-179.1-58.6174.7000107.7V656 G658V656-I677 PolarHBondContact O-N 3.32Å; G658-I677 PolarHBondContact N-O 3.25Å
678G38.2Very low38.6Very low19 Ų1961.5 Ų61.520%0.19635%0.352CS..SBendtrans149.3149.8178.200000112.8
679P39.3Very low38.4Very low67 Ų6759.4 Ų59.444%0.43534%0.344SS..  trans-71.6149.9-179.429.7-35.6000112.2P659 P681P659-P679 HydrophobicContact CB-CG 4.4Å; P679-P681 VanDerWaalsContact O-CD 3.31Å; P679-P681 WeakPolarHBondContact O-CD 3.24Å
680V38.8Very low38.7Very low57 Ų5760.1 Ų60.135%0.34535%0.35SS..EExtended strand (participates in β ladder)trans-118.186.1-178.9-174.60000110.4V682V680-V682 HydrophobicContact CG1-CG2 4.41Å; V680-V682 PolarHBondContact O-N 2.8Å
681P41.8Very low38.6Very low39 Ų3958.4 Ų58.425%0.25334%0.341SS..EExtended strand (participates in β ladder)trans-81.3112.3-179.830.6-32.9000111.6P661 P679P661-P681 HydrophobicContact CB-CG 4.31Å; P679-P681 VanDerWaalsContact O-CD 3.31Å; P679-P681 WeakPolarHBondContact O-CD 3.24Å
682V41.4Very low38.7Very low44 Ų4458.3 Ų58.327%0.26734%0.342SS..EExtended strand (participates in β ladder)trans-96.3111.7177.5-176.20000109.9V680 L701V680-V682 HydrophobicContact CG1-CG2 4.41Å; V680-V682 PolarHBondContact O-N 2.8Å; V682-L701 PolarHBondContact N-O 3.28Å
683K38Very low38.8Very low126 Ų12661.1 Ų61.155%0.54835%0.352SS..  trans-113.26.6-176.8-65.7-164.6174.4-170.30114.9K704K683-K704 WeakPolarHBondContact O-CD 3.36Å; K683-K704 VanDerWaalsContact O-CE 3.31Å; K683-K704 WeakPolarHBondContact O-CE 3.12Å
684A38.2Very low38.7Very low13 Ų1356.6 Ų56.611%0.10733%0.333CS..SBendtrans-117.2152.7176.600000111.2C664C664-A684 VanDerWaalsContact C-CB 3.41Å; C664-A684 WeakPolarHBondContact O-CB 3.43Å
685P36.3Very low38.7Very low70 Ų7054.3 Ų54.346%0.45533%0.329SS..  trans-69.1145.1172.731.3-34.4000110.6P665P665-P685 WeakPolarHBondContact CA-O 3.48Å
686A42.9Very low38.8Very low20 Ų2053 Ų5317%0.16532%0.32CS..BIsolated β-bridgetrans-125.6134.9-179.800000111.4S707A686-S707 PolarHBondContact O-N 3.39Å
687T44.3Very low39Very low81 Ų8154.8 Ų54.850%0.49733%0.325SS..  trans-129.186.5175.452.10000107.6V666 T667V666-T687 PolarHBondContact O-N 3.19Å; T667-T687 CarbonylContact C-O 3.52Å; T667-T687 VanDerWaalsContact C-O 3.31Å; T667-T687 WeakPolarHBondContact CA-O 3.39Å
688G42.7Very low38.7Very low18 Ų1854.1 Ų54.119%0.18632%0.319CS..SBendtrans165.4167.5-171.200000112.9
689L35.1Very low38.5Very low64 Ų6455.9 Ų55.934%0.33532%0.324SS..  trans-84.4120.9-176.6-114.8167.4000112L669 V670 T709 P711L669-L689 WeakPolarHBondContact CA-O 3.47Å; L669-L689 HydrophobicContact CD1-CB 3.84Å; L669-L689 HydrophobicContact CD1-CD1 4.42Å; L669-L689 HydrophobicContact CG-CB 4.3Å; V670-L689 PolarHBondContact N-O 3.37Å; L689-T709 WeakPolarHBondContact CD2-O 3.41Å; L689-P711 HydrophobicContact CD2-CG 3.59Å
690V39.2Very low38.4Very low64 Ų6455.3 Ų55.339%0.38832%0.319SS..EExtended strand (participates in β ladder)trans-104.2117.5175.3-178.40000109.2P711V690-P711 WeakPolarHBondContact O-CD 3.4Å
691S37.3Very low38.3Very low14 Ų1455.3 Ų55.310%0.09832%0.316CS..EExtended strand (participates in β ladder)trans-128.9111.6-179.2-165.10000113V670V670-S691 PolarHBondContact O-N 3.48Å
692T37.6Very low37.9Very low42 Ų4254.8 Ų54.826%0.25831%0.312SS..EExtended strand (participates in β ladder)trans-96.3134.117051.30000110
693Q39.8Very low37.7Very low101 Ų10156.2 Ų56.247%0.47232%0.316SS..  trans-115.714.9179.6-66.2-170.543.800113.4
694T33.8Very low37.6Very low20 Ų2055 Ų5512%0.12331%0.311CS..SBendtrans-143.4143.7-178.3540000110.9K674 P675 S714K674-T694 PolarHBondContact O-OG1 2.85Å; P675-T694 HydrophobicContact CG-CG2 4.21Å; T694-S714 VanDerWaalsContact C-OG 3.25Å; T694-S714 PolarHBondContact O-OG 3.19Å; T694-S714 VanDerWaalsContact O-OG 3.14Å
695P34.5Very low37.5Very low63 Ų6358 Ų5841%0.40933%0.33SS..  trans-58.2144.9-177.525.9-35.5000111.5
696V36Very low37.7Very low39 Ų3956.2 Ų56.224%0.23632%0.317CS..BIsolated β-bridgetrans-119.1126.8175-1790000106.2
697T40.9Very low37.6Very low71 Ų7158.8 Ų58.844%0.43633%0.334SS..  trans-93.6-2.4-171.544.90000114.6T717T697-T717 WeakPolarHBondContact CA-OG1 3.13Å
698E36.4Very low37.4Very low104 Ų10456.1 Ų56.149%0.48632%0.323SS..SBendtrans-146.6165.3-169.2-98-61.5163.100113.8
699L33.8Very low37.2Very low57 Ų5758.3 Ų58.330%0.29833%0.332SS..  trans-49.1136.2-165.1-17074.1000116.3L701 L719L699-L701 HydrophobicContact CD2-CD1 3.74Å; L699-L701 HydrophobicContact CD2-CD2 4.35Å; L699-L701 HydrophobicContact CD2-CG 3.83Å; L699-L701 HydrophobicContact CG-CG 4.15Å; L699-L719 HydrophobicContact CD1-CB 4.01Å; L699-L719 HydrophobicContact CD1-CD2 4.19Å; L699-L719 HydrophobicContact CD1-CG 4.48Å
700V37.8Very low37.4Very low55 Ų5557 Ų5733%0.33333%0.327SS..EExtended strand (participates in β ladder)trans-110.3124.9170.2-179.30000110.6
701L35.6Very low37.4Very low56 Ų5655.2 Ų55.229%0.29332%0.317SS..EExtended strand (participates in β ladder)trans-123.3123.6-179.5-77.8170.2000112.3V682 L699V682-L701 PolarHBondContact N-O 3.28Å; L699-L701 HydrophobicContact CD2-CD1 3.74Å; L699-L701 HydrophobicContact CD2-CD2 4.35Å; L699-L701 HydrophobicContact CD2-CG 3.83Å; L699-L701 HydrophobicContact CG-CG 4.15Å
702T35.4Very low37.6Very low28 Ų2856 Ų5617%0.17232%0.321CS..EExtended strand (participates in β ladder)trans-120.3116.2175.159.40000111.1
703H36.2Very low37.6Very low75 Ų7560.5 Ų60.535%0.34734%0.337SS..  trans-107.616.1-178.2-61-81.1000114.3Q723H703-Q723 PolarHBondContact ND1-OE1 2.62Å
704K36.4Very low37.6Very low99 Ų9956.3 Ų56.343%0.4332%0.319SS..SBendtrans-146.4150176.2-70.3-166.1-177.8-600109.9K683K683-K704 WeakPolarHBondContact O-CD 3.36Å; K683-K704 VanDerWaalsContact O-CE 3.31Å; K683-K704 WeakPolarHBondContact O-CE 3.12Å
705P35.9Very low37.7Very low78 Ų7858.1 Ų58.151%0.50633%0.331SS..  trans-63.5142.6-178.925.9-35.1000112
706V41Very low37.9Very low31 Ų3156.4 Ų56.419%0.18832%0.319CS..BIsolated β-bridgetrans-106.8137.8176.7178.40000108.8
707S40.8Very low38.2Very low74 Ų7458 Ų5852%0.51733%0.329SS..  trans-124.887.1177.9-162.90000109.5A686A686-S707 PolarHBondContact O-N 3.39Å
708G39.6Very low38Very low26 Ų2659.6 Ų59.627%0.26833%0.331SS..SBendtrans168.4171.2-174.300000111.8
709T37.4Very low38Very low63 Ų6357.1 Ų57.139%0.38732%0.321SS..  trans-87.9145.3173.545.60000111.3L689 P711 L729L689-T709 WeakPolarHBondContact CD2-O 3.41Å; T709-P711 WeakPolarHBondContact O-CD 3.28Å; T709-L729 WeakPolarHBondContact CA-O 3.27Å; T709-L729 HydrophobicContact CG2-CB 4.39Å
710V41Very low38.3Very low37 Ų3756.7 Ų56.722%0.22432%0.321CS..EExtended strand (participates in β ladder)trans-122.892.8180-173.70000109.9V712 L729 L731V710-V712 HydrophobicContact CG1-CG2 4.13Å; V710-L729 PolarHBondContact N-O 3.38Å; V710-L731 PolarHBondContact O-N 2.68Å
711P39.2Very low38.1Very low26 Ų2655.4 Ų55.417%0.16932%0.315CS..EExtended strand (participates in β ladder)trans-85.4105.9176.431.6-34.1000111.9L689 V690 T709 L731L689-P711 HydrophobicContact CD2-CG 3.59Å; V690-P711 WeakPolarHBondContact O-CD 3.4Å; T709-P711 WeakPolarHBondContact O-CD 3.28Å; P711-L731 WeakPolarHBondContact CA-O 3.43Å
712V41.5Very low38.1Very low30 Ų3054.5 Ų54.518%0.18231%0.312CS..EExtended strand (participates in β ladder)trans-96.4113.4176.6-175.80000109.4V710 V716 L731 T732V710-V712 HydrophobicContact CG1-CG2 4.13Å; V712-V716 HydrophobicContact CG1-CG2 4.14Å; V712-L731 PolarHBondContact N-O 2.9Å; V712-T732 HydrophobicContact CB-CG2 4.43Å
713K36.3Very low38.1Very low138 Ų13859.4 Ų59.460%0.633%0.332SS*.  trans-103.78.8-172.2-67.9-173.2174.8-177.70114.8
714S39.8Very low37.9Very low13 Ų1357.6 Ų57.69%0.09133%0.327CS..SBendtrans-133.3152.3179.651.60000110.8T694T694-S714 VanDerWaalsContact C-OG 3.25Å; T694-S714 PolarHBondContact O-OG 3.19Å; T694-S714 VanDerWaalsContact O-OG 3.14Å
715P36.8Very low37.8Very low58 Ų5857.7 Ų57.738%0.37734%0.337SS..  trans-61.6149.8173.428.5-35.4000111.1
716V37.9Very low37.9Very low27 Ų2757.8 Ų57.816%0.16433%0.332CS..BIsolated β-bridgetrans-120.2128174.4-179.60000106.7V712 E718 V720V712-V716 HydrophobicContact CG1-CG2 4.14Å; V716-E718 WeakPolarHBondContact CG1-O 3.11Å; V716-V720 HydrophobicContact CG1-CG2 4.31Å
717T42.3Very low37.8Very low72 Ų7265.2 Ų65.244%0.44236%0.362SS..  trans-96.3-12.8-170.748.90000114.6T697T697-T717 WeakPolarHBondContact CA-OG1 3.13Å
718E37.9Very low37.6Very low104 Ų10463.7 Ų63.749%0.48636%0.358SS..SBendtrans-141.8170.9-178-98.9-56.315500113.3V716V716-E718 WeakPolarHBondContact CG1-O 3.11Å
719L35.5Very low37.3Very low52 Ų5268.4 Ų68.427%0.27238%0.376SS..  trans-41.7136.6-166.8-16777.2000116.2L699 P739L699-L719 HydrophobicContact CD1-CB 4.01Å; L699-L719 HydrophobicContact CD1-CD2 4.19Å; L699-L719 HydrophobicContact CD1-CG 4.48Å; L719-P739 HydrophobicContact CD1-CG 3.84Å; L719-P739 WeakPolarHBondContact CD1-O 3.47Å
720V39.1Very low37.3Very low48 Ų4869.1 Ų69.129%0.29138%0.38SS..EExtended strand (participates in β ladder)trans-112.7122.1167.9-179.50000109.6V716V716-V720 HydrophobicContact CG1-CG2 4.31Å
721S33.8Very low36.7Very low29 Ų2972.5 Ų72.520%0.20340%0.397CS..EExtended strand (participates in β ladder)trans-126.8121.4-177.5-171.50000112.6
722T36.4Very low36.4Very low37 Ų3775.1 Ų75.123%0.22741%0.412CS..EExtended strand (participates in β ladder)trans-120.5106-18047.60000111T724 M726T722-T724 PolarHBondContact O-N 2.66Å; T722-M726 HydrophobicContact CG2-SD 4.26Å
723Q36.2Very low36.1Very low130 Ų13081.7 Ų81.761%0.60744%0.441SS*.  trans-88.210.9-174.3-69.9-175.4-19.800115.1H703H703-Q723 PolarHBondContact ND1-OE1 2.62Å
724T31.4Very low35.9Very low37 Ų3781.9 Ų81.923%0.22744%0.441CS..SBendtrans-145.2144.6-17857.60000112.1T722T722-T724 PolarHBondContact O-N 2.66Å
725P33.6Very low35.5Very low101 Ų10186.6 Ų86.666%0.65647%0.472SS*.  trans-61138-178.325.3-35.1000112.4
726M38Very low35.6Very low80 Ų8086.6 Ų86.639%0.39447%0.471SS..  trans-102.5149.3-175.7-55-17483.900111.5T722 V730T722-M726 HydrophobicContact CG2-SD 4.26Å; M726-V730 HydrophobicContact CE-CG2 4.41Å
727K38.3Very low35.6Very low188 Ų18890.9 Ų90.982%0.81750%0.497SS*.  trans-124.771.4166.8-71.9-171.1176.5-175.30109.6
728G38.6Very low35.3Very low42 Ų4288.3 Ų88.343%0.43348%0.484SS..SBendtrans-178.2157-179.300000112.7
729L31.8Very low35.1Very low124 Ų12487.5 Ų87.565%0.64949%0.488SS*.  trans-85.1131.5175-80.2159.1000110.8T709 V710T709-L729 WeakPolarHBondContact CA-O 3.27Å; T709-L729 HydrophobicContact CG2-CB 4.39Å; V710-L729 PolarHBondContact N-O 3.38Å
730V37.1Very low35.1Very low78 Ų7889.6 Ų89.647%0.47350%0.503SS..EExtended strand (participates in β ladder)trans-94.1131.1165.4-179.90000107.6M726M726-V730 HydrophobicContact CE-CG2 4.41Å
731L30.3Very low34.7Very low109 Ų10992.6 Ų92.657%0.57152%0.517SS*.EExtended strand (participates in β ladder)trans-124.2108.1179.4-70173.7000109.7V710 P711 V712V710-L731 PolarHBondContact O-N 2.68Å; P711-L731 WeakPolarHBondContact CA-O 3.43Å; V712-L731 PolarHBondContact N-O 2.9Å
732T32Very low34.6Very low81 Ų8194.8 Ų94.850%0.49754%0.537SS..EExtended strand (participates in β ladder)trans-99.3140.9170510000109.3V712 V736V712-T732 HydrophobicContact CB-CG2 4.43Å; T732-V736 HydrophobicContact CG2-CG2 4.2Å
733H34.4Very low34.3Very low168 Ų168101.5 Ų101.578%0.77857%0.566SS**SBendtrans-11911.6-177.2-151.8-58.5000113.2
734K33.6Very low34Very low141 Ų14199.5 Ų99.561%0.61357%0.566SS**SBendtrans-150.5156.7172.5-74.3-154.8173.4-160.30108.4
735P30.7Very low33.9Very low112 Ų112103.9 Ų103.973%0.72760%0.595SS**  trans-60.6152.3-179.624.3-34.8000112.8
736V38.1Very low33.5Very low59 Ų59103.8 Ų103.836%0.35860%0.603SS.*  trans-103.8131.9173.11790000107.5T732 V740T732-V736 HydrophobicContact CG2-CG2 4.2Å; V736-V740 HydrophobicContact CG1-CG2 4.5Å
737T37.9Very low32.9Very low117 Ų117107 Ų10772%0.71863%0.627SS**  trans-98.3-1.3-171.4-27.50000113.9
738G37.1Very low32.3Very low17 Ų17101.2 Ų101.218%0.17562%0.621CS.*SBendtrans-121.6160.9177.900000112.8
739P33.8Very low32Very low87 Ų87105.6 Ų105.657%0.56564%0.642SS**  trans-68.3142.4-176.726-31.7000112.4L719L719-P739 HydrophobicContact CD1-CG 3.84Å; L719-P739 WeakPolarHBondContact CD1-O 3.47Å
740V34.8Very low31.8Very low97 Ų97105.9 Ų105.959%0.58865%0.648SS**EExtended strand (participates in β ladder)trans-105.7111.3176.4178.70000108.8V736V736-V740 HydrophobicContact CG1-CG2 4.5Å
741L30.6Very low31.4Very low110 Ų110107.6 Ų107.658%0.57666%0.661SS**EExtended strand (participates in β ladder)trans-99.9101.4177.9-70176.2000110.7
742A32Very low31.1Very low75 Ų75109.8 Ų109.862%0.6267%0.668SS**EExtended strand (participates in β ladder)trans-105.8126.1170.100000110.1
743Q29.8Very low30.8Very low179 Ų179112.2 Ų112.284%0.83668%0.683SS**  trans-115111.3172.3-68.8-174-1.200110.1
744S30.5Very low30.4Very low87 Ų87111.5 Ų111.561%0.60868%0.68SS**  trans-158.5129169.556.50000111.2
745P29.5Very low30Very low129 Ų129110.3 Ų110.384%0.83869%0.689SS**  trans-70.5148.5172.130.6-34.5000111.2
746A24.7Very low29.8Very low100 Ų100114.2 Ų114.283%0.82670%0.698SS**  trans-88.2146.7-176.300000113.2
747T25.7Very low29.1Very low147 Ų147122.6 Ų122.690%0.90272%0.723SS**  trans-159126.7165.6-36.30000110.4
748G25.6Very low28.4Very low67 Ų67125 Ų12569%0.69173%0.73SS**SBendtrans117.3145.9176.100000113.8
749P32.9Very low28.3Very low133 Ų133129.4 Ų129.486%0.86476%0.756SS**PPolyproline II helixtrans-84.4153.8-163.733.2-36.9000114.9
750V26Very low27.8Very low131 Ų131134.4 Ų134.479%0.79477%0.772SS**PPolyproline II helixtrans-94.8132.2172.1177.60000109.4
751P29.6Very low27.5Very low113 Ų113135.7 Ų135.773%0.73478%0.782SS**PPolyproline II helixtrans-75.9121.2165.830.6-31.2000110
752E24.2Very low27.2Very low155 Ų155138 Ų13872%0.72479%0.79SS**PPolyproline II helixtrans-72.4131.3-179.4-172.2177.4104.900111.6Q754E752-Q754 HydrophobicContact CG-CG 4.44Å; E752-Q754 PolarHBondContact OE1-NE2 3.19Å
753V25Very low27Very low133 Ų133143.5 Ų143.581%0.80680%0.795SS**  trans-120.1118.4167.9174.30000108.3S755V753-S755 PolarHBondContact O-N 2.86Å
754Q25.9Very low26.7Very low152 Ų152140.5 Ų140.571%0.7179%0.785SS**  trans-83.1109.7-173.4-64.4172.1-1100110.9E752E752-Q754 HydrophobicContact CG-CG 4.44Å; E752-Q754 PolarHBondContact OE1-NE2 3.19Å
755S25.7Very low26.5Very low116 Ų116142.1 Ų142.181%0.81179%0.786SS**  trans-90.1116.1161.1-73.50000109.2V753V753-S755 PolarHBondContact O-N 2.86Å
756Q25.5Very low26.3Very low195 Ų195144 Ų14491%0.91178%0.784SS**  trans-69.7149177.3-63.1-17413.100111.3
757R24.9Very low26.3Very low235 Ų235143.6 Ų143.689%0.88778%0.775SS**  trans-126.4123.6-174.3177.3-167.9-166.8172.25.9109
758L23.2Very low26.2Very low166 Ų166142.6 Ų142.687%0.86976%0.763SS**  trans-154.6165.2167.1-12775.4000108.2
759P33.9Very low26.4Very low111 Ų111146.5 Ų146.572%0.72176%0.764SS**  -132.4167.7-99.940.7-25.2000115.4
760E24Very low26Very low192 Ų192147.3 Ų147.390%0.89776%0.756SS**  trans-104.8143.3162.5-88.8165.678.600111
761P28.8Very low26.2Very low124 Ų124147.6 Ų147.681%0.80575%0.753SS**  trans-87.8141.2178.534.1-33.5000113.5
762Q23.7Very low26Very low157 Ų157150.6 Ų150.673%0.73476%0.755SS**  trans-71.7171.3159.9-62.2168.9-166.700110
763R27.9Very low26.5Very low191 Ų191148.2 Ų148.272%0.72175%0.754SS**  cis-155.2166.310.3-148.7-174.5-103.4170.3-9.1108.5
764D22.7Very low26.7Very low117 Ų117149.3 Ų149.363%0.62675%0.751SS**  146.515893.7-97.9-33.4000106.9
765L26.8Very low27Very low121 Ų121148.9 Ų148.963%0.63475%0.753SS**  cis-166.2149.2-19.4-127.2172.5000108.2
766Q25.1Very low27.3Very low169 Ų169149.2 Ų149.279%0.7974%0.743SS**  trans62.9156.8158-87.4158-20.300118.3
767S24.2Very low27.7Very low91 Ų91144.7 Ų144.764%0.63673%0.733SS**  cis-161.3159.7-14.8-145.40000111.9
768N25.3Very low28.2Very low125 Ų125139.2 Ų139.267%0.66873%0.726SS**  trans71.8153.8154.4-61.510.4000121.6
769Q28.5Very low28.6Very low149 Ų149138.5 Ų138.570%0.69672%0.718SS**  trans59.9109168.3-90.740.287.300114.8
770E25.8Very low28.6Very low151 Ų151135 Ų13571%0.70670%0.696SS**  cis47.1113.527.354.3-16512100112.4
771D28.7Very low29.2Very low136 Ų136128.4 Ų128.473%0.72767%0.667SS**  cis-144.4167.544.3-108.7-55.7000118
772F27Very low29.4Very low177 Ų177126.7 Ų126.778%0.77665%0.651SS**  trans-11143.8151.9-92.2-127000118.9
773C34Very low29.9Very low104 Ų104126.4 Ų126.470%0.70365%0.65SS**  cis69.4102.143.9-62.20000115.6
774E30.1Very low30.4Very low157 Ų157122.4 Ų122.473%0.73465%0.651SS**  trans-148.6134.4155.5-119.8157.5179.900108.2M776E774-M776 HydrophobicContact CG-CE 4.18Å; E774-M776 WeakPolarHBondContact OE1-CE 3.45Å
775N31.5Very low30.9Very low142 Ų142120.9 Ų120.976%0.75966%0.655SS**  cis65.5141.938.1-148.726.9000108.9
776M31.1Very low31Very low124 Ų124122.9 Ų122.961%0.61167%0.665SS**  cis-137-172.325.1-68.1163.6-95.600110.3E774E774-M776 HydrophobicContact CG-CE 4.18Å; E774-M776 WeakPolarHBondContact OE1-CE 3.45Å
777S34Very low31.3Very low99 Ų99120 Ų12069%0.69266%0.663SS**  165.9151.379.9-85.30000108.6
778T35.4Very low31.6Very low121 Ų121120.3 Ų120.374%0.74267%0.666SS**  cis-163.8179.14.412.70000110.9
779Q32.1Very low31.7Very low151 Ų151122.4 Ų122.471%0.70668%0.676SS**  trans101137.6134.9-145.6163.62.600120.4R323R323-Q779 PolarHBondContact NH1-O 3.03Å
780S34.6Very low31.6Very low36 Ų36120.2 Ų120.225%0.25268%0.677SS.*  cis-168.5169.1-39.158.40000112.2P324P324-S780 WeakPolarHBondContact CD-O 3.2Å; P324-S780 VanDerWaalsContact CG-C 3.42Å; P324-S780 WeakPolarHBondContact CG-O 3.49Å
781D36.3Very low31.7Very low55 Ų55117.2 Ų117.229%0.29467%0.673SS.*  trans93.9109.3154.1-45.6-31.1000126.4P324 G325 I326P324-D781 VanDerWaalsContact C-C 3.45Å; P324-D781 VanDerWaalsContact CD-C 3.5Å; P324-D781 WeakPolarHBondContact CD-O 3.41Å; P324-D781 VanDerWaalsContact N-O 3.08Å; G325-D781 CarbonylContact O-C 3.54Å; G325-D781 WeakPolarHBondContact O-CA 3.5Å; I326-D781 WeakPolarHBondContact CB-OD1 3.47Å; I326-D781 WeakPolarHBondContact CD1-OD1 3.48Å; I326-D781 HydrophobicContact CG1-CB 4.4Å; I326-D781 WeakPolarHBondContact CG1-OD1 3.49Å; I326-D781 WeakPolarHBondContact CG2-OD1 3.38Å
782N32.8Very low31.7Very low88 Ų88119.6 Ų119.647%0.47168%0.68SS.*  trans89.3131.4163.1-48.2-73.5000120.5P324 G325P324-N782 CarbonylContact C-O 3.37Å; P324-N782 CarbonylContact O-C 3.41Å; G325-N782 PolarHBondContact O-N 2.91Å
783Q34.8Very low31.8Very low151 Ų151116.5 Ų116.571%0.70668%0.68SS**  cis-171.6151.9-7.8-121.5177.37400112.3
784S36.8Very low32.6Very low107 Ų107116.9 Ų116.975%0.74868%0.681SS**  trans50.8153.7145.5-57.20000123.5
785A33.7Very low32.6Very low85 Ų85115.4 Ų115.470%0.70269%0.685SS**  cis-168.6135.5-24.600000112.5
786L29.9Very low32.3Very low163 Ų163113.4 Ų113.485%0.85368%0.683SS**  trans45.8132.9147.6-55.3178000124.3
787S30.7Very low32.2Very low107 Ų107113.1 Ų113.175%0.74869%0.693SS**  trans102.5144.3143.5-48.80000119.1
788S31.5Very low32.9Very low99 Ų99113.2 Ų113.269%0.69269%0.691SS**  cis-170.7147.4-20.3-1020000112
789L26.2Very low32.5Very low168 Ų168116.3 Ų116.388%0.8870%0.695SS**  trans61.6131.2147.3-64.3170.2000122.4
790S26.6Very low32.3Very low103 Ų103116.5 Ų116.572%0.7270%0.699SS**  trans87.1118.2136.9-141.40000121.7
791S28.2Very low31.8Very low88 Ų88118.7 Ų118.762%0.61572%0.719SS**  58.7122.1129.2-51.40000119.8
792Q28.8Very low31.3Very low186 Ų186122 Ų12287%0.86975%0.747SS**  -162.5168.962.2-112.6126.9132.900115.7
793S29.7Very low31.2Very low113 Ų113122.6 Ų122.679%0.7976%0.757SS**  trans-87.4-177.5173-41.80000111.6
794P49.8Very low31.1Very low111 Ų111119.8 Ų119.872%0.72176%0.755SS**  trans-89.6169.8-164.238.1-38000114.5
795P30.9Very low30.8Very low126 Ų126123.4 Ų123.482%0.81876%0.76SS**  trans-96.1146.1152.935.6-29000111.9
796S24.5Very low30.7Very low101 Ų101126 Ų12671%0.70676%0.762SS**  trans-118.3147.8169.7-61.30000110.2
797S29.9Very low31.8Very low117 Ų117123.6 Ų123.682%0.81876%0.756SS**  trans65-178.3162.6-59.10000114.3
798P48.9Very low33.1Very low102 Ų102123.6 Ų123.666%0.66275%0.754SS**  cis-131.2-171-2.319.37.8000115.5
799F25Very low34.1Very low186 Ų186124.2 Ų124.282%0.81676%0.755SS**  trans99.3131.5148.4-80.1-65.3000122.3
800I28.6Very low34.3Very low154 Ų154123.5 Ų123.579%0.7975%0.752SS**  trans57.6114.5161.2-51.5178.9000116.4
801A24.2Very low34.4Very low82 Ų82125.7 Ų125.768%0.67875%0.754SS**  cis108.7145.714.600000115.4
802S26.2Very low35.1Very low125 Ų125127.3 Ų127.387%0.87476%0.763SS**  trans70.6149.3176.4-55.70000116.2
803S30.9Very low35Very low100 Ų100122.8 Ų122.870%0.69976%0.757SS**  cis-144.71578.4-169.50000112.6
804S31.9Very low35Very low93 Ų93127 Ų12765%0.6577%0.765SS**  trans42.2141.2150.249.80000120.8
805E30.6Very low33.9Very low183 Ų183126.5 Ų126.586%0.85577%0.77SS**  cis-152.9162.826.6-156.7141.888.200113.7
806N32.3Very low33.8Very low138 Ų138125.2 Ų125.274%0.73877%0.769SS**  trans-155.7152.6176.3-149.95.3000104.7
807P53.5Low34Very low113 Ų113129.2 Ų129.273%0.73478%0.777SS**  -148.9-146.465.342.2-17.5000112.8
808P57Low34.4Very low108 Ų108129.2 Ų129.270%0.70177%0.773SS**  -128.5-153.5-114.142.7-20000111.1
809P52.9Low33.4Very low112 Ų112130.1 Ų130.173%0.72778%0.777SS**  cis-129.8-153.7-5.744.8-24.7000111.6
810L30.2Very low33.4Very low153 Ų153127.8 Ų127.880%0.80177%0.774SS**  cis-149.3-173.95.5-132.1-160.9000111.3
811L28.1Very low33.4Very low149 Ų149126.9 Ų126.978%0.7877%0.769SS**  trans-141.2-172.7175.3-77.6-179.8000106.9
812P42.7Very low33.5Very low121 Ų121127.8 Ų127.879%0.78677%0.771SS**  cis-136.7-174.47.743.4-24.5000116.2
813A27.3Very low33.7Very low91 Ų91129.8 Ų129.875%0.75277%0.771SS**  trans-105.2166167.500000111.1
814Q29.3Very low33.8Very low203 Ų203130.4 Ų130.495%0.94977%0.773SS**  -175.4177.6117.7-100.5-168.212.800112.9
815A27.7Very low34.2Very low100 Ų100131.1 Ų131.183%0.82678%0.775SS**  trans-89155.4-162.100000115.8
816A28.8Very low34Very low98 Ų98129.9 Ų129.981%0.8177%0.769SS**  trans-159.7147.4144.800000111.1
817H29.2Very low33.7Very low186 Ų186130 Ų13086%0.86177%0.765SS**  trans-97.2155.2159.3-69.7-84.3000107.6
818P37.6Very low32.5Very low116 Ų116132.2 Ų132.275%0.75377%0.766SS**  -155.6-1777644.1-24000117.2
819T28.3Very low31.2Very low121 Ų121131.3 Ų131.374%0.74277%0.767SS**  trans63.2105.3151.5-48.70000121
820D24.9Very low30.1Very low138 Ų138130.1 Ų130.174%0.73877%0.767SS**  34.8158.2118.8-149.110000123.6
821L27Very low30.1Very low134 Ų134132.5 Ų132.570%0.70277%0.771SS**  trans78.294.8165.6-56.8-178000120.2
822S26.3Very low30.2Very low102 Ų102129.5 Ų129.571%0.71377%0.768SS**  55.2127.2110.9-62.40000123.2
823L31.2Very low29.5Very low167 Ų167129.2 Ų129.287%0.87476%0.759SS**  trans85.9145150.4-65.7166.8000120.3
824P34.3Very low29.7Very low113 Ų113132.5 Ų132.573%0.73476%0.757SS**  trans-96157.4-178.438.4-35.7000114.2
825P38.7Very low29.8Very low108 Ų108128.4 Ų128.470%0.70175%0.746SS**  trans-103.3-177.1171.939.1-33.5000113.9
826Q26.2Very low30.7Very low156 Ų156128.7 Ų128.773%0.72974%0.739SS**  trans77130.2177.2-46.5-71-53.600114.8
827H27.1Very low30.6Very low142 Ų142128.5 Ų128.566%0.65773%0.732SS**  cis-170.8167.2-18.6-127-140.9000106.2
828E28.3Very low30.5Very low159 Ų159126.2 Ų126.274%0.74373%0.726SS**  cis-161.3179.53.4-159.5178.5116.500109
829A28.6Very low30.2Very low88 Ų88125.4 Ų125.473%0.72772%0.723SS**  trans70.513915300000120.2
830A31.4Very low30.3Very low88 Ų88127.5 Ų127.573%0.72772%0.724SS**  cis-164.6159-1200000112.6
831K28.7Very low30.4Very low203 Ų203129 Ų12988%0.88373%0.727SS**  trans64.2133.7169.3-74.7-172.1172.4-173.70117.2
832A30.6Very low30.5Very low86 Ų86126.7 Ų126.771%0.71173%0.726SS**  cis77.5137.322.800000115.1
833D28.2Very low30.8Very low114 Ų114127.2 Ų127.261%0.6173%0.726SS**  cis-159143.79.1-154.7-141.4000111.9
834K31.5Very low30.7Very low161 Ų161127.7 Ų127.770%0.772%0.723SS**  trans50.1165.7138.8-74.8-169.5-151.696.30121.8
835T31.3Very low30.6Very low117 Ų117126.7 Ų126.772%0.71873%0.725SS**  cis-169.3-176.9418.40000108.4
836P46.9Very low30.1Very low105 Ų105129.5 Ų129.568%0.68273%0.728SS**  -139.5-165.2-60.441.3-20.6000114.4
837S26.5Very low30.2Very low95 Ų95127.6 Ų127.666%0.66473%0.727SS**  trans81.3116.6141.4-80.90000124
838D26.7Very low30.3Very low137 Ų137127.4 Ų127.473%0.73373%0.727SS**  74.1103.7123.1-65.1-62.4000123.1
839S31.3Very low31.4Very low100 Ų100124.8 Ų124.870%0.69972%0.723SS**  127.8123.3100.365.70000120.2
840H30.6Very low31.4Very low165 Ų165125.9 Ų125.976%0.76472%0.716SS**  trans69107.4138.4-73.2-123.5000123.9
841H27.3Very low31.2Very low170 Ų170132.2 Ų132.279%0.78772%0.723SS**  76.1130.1128.6-83-93.8000125.3
842A29.5Very low31.2Very low84 Ų84130.5 Ų130.569%0.69472%0.718SS**  trans75141.8139.500000120.8
843T31.2Very low31Very low114 Ų114130.6 Ų130.670%0.69971%0.713SS**  cis-156.4174.6-1218.50000112
844E29.9Very low31.1Very low177 Ų177132 Ų13283%0.82772%0.721SS**  trans76.2141.1161.4-68.9137.890.600116.7
845A33.3Very low31Very low92 Ų92130.7 Ų130.776%0.7672%0.721SS**  cis-157.5-175.2-13.500000108
846E27.9Very low30.9Very low167 Ų167132.7 Ų132.778%0.7872%0.723SS**  cis-157.9-177.97.3-148-120.482.200110.6
847T27.1Very low30.1Very low115 Ų115133.1 Ų133.171%0.70673%0.728SS**  trans66.7121.3167-36.40000119.5
848E30.2Very low30.1Very low138 Ų138138.3 Ų138.365%0.64574%0.742SS**  trans-141.3-169.2-171.9-96.1-81.4119.300108.5I850E848-I850 WeakPolarHBondContact OE1-CD1 3.38Å; E848-I850 VanDerWaalsContact OE2-CD1 3.29Å; E848-I850 WeakPolarHBondContact OE2-CD1 3.38Å; E848-I850 WeakPolarHBondContact OE2-CG1 3.37Å
849P51.6Low30Very low104 Ų104136.8 Ų136.868%0.67574%0.742SS**  cis-119.9176.2-14.921.63.5000112
850I28.8Very low29.7Very low112 Ų112141.5 Ų141.557%0.57475%0.75SS**  cis75.6122.738.9-58.5-166.3000113.1E848E848-I850 WeakPolarHBondContact OE1-CD1 3.38Å; E848-I850 VanDerWaalsContact OE2-CD1 3.29Å; E848-I850 WeakPolarHBondContact OE2-CD1 3.38Å; E848-I850 WeakPolarHBondContact OE2-CG1 3.37Å
851Y25.3Very low29.6Very low221 Ų221137.5 Ų137.587%0.86774%0.741SS**  -159.6169.297.5-112.6-84.3000116.1
852Q28.7Very low29.6Very low167 Ų167138.2 Ų138.278%0.7875%0.745SS**  trans-151.7156.3-159.3-164.9175.715.500112.5
853S27.5Very low29.4Very low87 Ų87140.2 Ų140.261%0.60875%0.753SS**  trans52.3128.1158.3-81.10000124.1
854D30.8Very low29.2Very low144 Ų144142.7 Ų142.777%0.7776%0.761SS**  45134.1121.5-40-48.9000120.1
855N29Very low29Very low133 Ų133138.3 Ų138.371%0.71176%0.755SS**  -179.2164.864.4-173.932.1000113.9
856E28.6Very low29.2Very low160 Ų160138.3 Ų138.375%0.74876%0.755SS**  trans36127.8159.3-85.6172.812500124
857S30.4Very low30Very low113 Ų113136 Ų13679%0.7975%0.754SS**  -177.6120.1121.8-78.80000115.1
858E26.9Very low29.9Very low204 Ų204140.2 Ų140.295%0.95376%0.758SS**  trans52.7171.1150.2-55.1-151.7101.400122.1
859S24.8Very low30.3Very low106 Ų106142.2 Ų142.274%0.74177%0.767SS**  trans-136.3147.3-166.695.70000113.9
860F24Very low29Very low198 Ų198144 Ų14487%0.86877%0.768SS**  trans-159.4139.6139-133.9-105000113.7
861S28.6Very low29Very low81 Ų81146.5 Ų146.557%0.56678%0.775SS**  trans52.6102.7159.8-710000123.5
862Q26.9Very low29.6Very low186 Ų186140.8 Ų140.887%0.86977%0.773SS**  64.199.3119.6-63.917412.200120.3
863S26.3Very low29.5Very low125 Ų125143.6 Ų143.687%0.87478%0.777SS**  -143.6147.8100.7-156.40000110.6
864L26.8Very low30.2Very low167 Ų167144.8 Ų144.887%0.87478%0.783SS**  trans-72.7127.5-167.9-70.1151.6000110.6
865A26.7Very low30.5Very low85 Ų85146.9 Ų146.970%0.70279%0.788SS**  cis105.3110.445.500000111.9
866A36.8Very low31.2Very low92 Ų92143.2 Ų143.276%0.7678%0.781SS**  trans-82.4173.1145.600000108.1
867P44.1Very low31.4Very low117 Ų117147.3 Ų147.376%0.7679%0.79SS**  cis-100.1-127.61019.74.6000110.5
868W25Very low32.2Very low205 Ų205151.4 Ų151.478%0.77780%0.797SS**  cis-161.3162.38.553.8-64.1000111.4M870W868-M870 HydrophobicContact CE3-CB 4.5Å; W868-M870 HydrophobicContact CZ3-CB 4.18Å; W868-M870 HydrophobicContact CZ3-CG 4.08Å; W868-M870 HydrophobicContact CZ3-SD 4.04Å
869E39.3Very low32.7Very low180 Ų180145.7 Ų145.784%0.84178%0.776SS**  trans-69.2140.3171.8-66.4-179.898.300111.5
870M24.6Very low33.6Very low141 Ų141146.4 Ų146.470%0.69577%0.77SS**  trans-164.8160.9134.6-118.3-162.5-170.100115.2W868W868-M870 HydrophobicContact CE3-CB 4.5Å; W868-M870 HydrophobicContact CZ3-CB 4.18Å; W868-M870 HydrophobicContact CZ3-CG 4.08Å; W868-M870 HydrophobicContact CZ3-SD 4.04Å
871K27.6Very low34.9Very low165 Ų165141.5 Ų141.572%0.71776%0.757SS**  trans72.8119.6157-78.3170.4176.71710118.9
872A37.7Very low36Very low101 Ų101143.6 Ų143.684%0.83576%0.757SS**  trans-58149.7150.500000110.9
873W28.1Very low37.2Very low226 Ų226140.7 Ų140.786%0.85675%0.747SS**  trans-116.9153.4171.7-76.386.1000109.8
874P40.6Very low38.5Very low112 Ų112138.9 Ų138.973%0.72773%0.731SS**  trans-84.9170.1-163.934.7-37000114.5
875E38.7Very low39.9Very low187 Ų187140 Ų14087%0.87473%0.731SS**SBendtrans-13.8132.7168.2-153.860.8-137.500118.9
876G42Very low41.1Very low56 Ų56139.4 Ų139.458%0.57773%0.734SS**  trans95.592.6143.100000118.9
877R34.7Very low41.5Very low246 Ų246142.6 Ų142.693%0.92873%0.731SS**  trans-156.5138.2137.8-100.2140.2-152.2-99.73.5110.4
878Q46.3Very low42Very low200 Ų200142.2 Ų142.294%0.93573%0.726SS**  trans-82127.1-179.2-65.1169.1-2.300109.9
879V36.3Very low43.4Very low84 Ų84137.8 Ų137.851%0.50972%0.716SS.*  trans-91.4123.6170.8178.50000108.9T881V879-T881 HydrophobicContact CG1-CG2 4.43Å; V879-T881 PolarHBondContact O-N 3.07Å; V879-T881 VanDerWaalsContact O-N 3.13Å
880L44Very low43.8Very low121 Ų121137.8 Ų137.863%0.63472%0.716SS**  trans-85.384.8-174.6-168.966.7000110.9H882L880-H882 VanDerWaalsContact CD2-NE2 3.34Å; L880-H882 WeakPolarHBondContact CD2-NE2 3.27Å; L880-H882 PolarHBondContact O-CD2 3.31Å; L880-H882 PolarHBondContact O-N 2.83Å
881T51.2Low45.1Very low95 Ų95137.5 Ų137.558%0.58371%0.713SS**  trans-71.288.6-175.552.20000113.1V879 L883V879-T881 HydrophobicContact CG1-CG2 4.43Å; V879-T881 PolarHBondContact O-N 3.07Å; V879-T881 VanDerWaalsContact O-N 3.13Å; T881-L883 PolarHBondContact O-N 3.45Å
882H51.6Low46.1Very low125 Ų125132.4 Ų132.458%0.57971%0.707SS**  trans-74.2105.3169.1-77.7-84.2000111.3L880L880-H882 VanDerWaalsContact CD2-NE2 3.34Å; L880-H882 WeakPolarHBondContact CD2-NE2 3.27Å; L880-H882 PolarHBondContact O-CD2 3.31Å; L880-H882 PolarHBondContact O-N 2.83Å
883L52.6Low46.6Very low124 Ų124135.9 Ų135.965%0.64971%0.711SS**EExtended strand (participates in β ladder)trans-77.4124165.2-95.671.8000110.2T881T881-L883 PolarHBondContact O-N 3.45Å
884V53Low47.3Very low88 Ų88133.1 Ų133.153%0.53371%0.708SS.*EExtended strand (participates in β ladder)trans-129.6127.1168.1-178.30000108.5G886 F887V884-G886 PolarHBondContact O-N 2.83Å; V884-F887 PolarHBondContact O-N 3.45Å
885E55.9Low47.4Very low190 Ų190133.4 Ų133.489%0.88871%0.71SS**THydrogen-bonded Turntrans45.532.4172-59.8-164.2146.900117.2
886G53.7Low47.2Very low73 Ų73133.3 Ų133.375%0.75371%0.707SS**THydrogen-bonded Turntrans92.98.3169.300000116.1V884V884-G886 PolarHBondContact O-N 2.83Å
887F44.2Very low47.1Very low158 Ų158136.4 Ų136.469%0.69372%0.717SS**EExtended strand (participates in β ladder)trans-109.6137.5170.5-65.3-88000110.9V884 I889V884-F887 PolarHBondContact O-N 3.45Å; F887-I889 PolarHBondContact O-N 2.81Å
888V55.3Low47.4Very low109 Ų109130.6 Ų130.666%0.66171%0.708SS**EExtended strand (participates in β ladder)trans-84.4105.2168.9179.90000107.5Q890V888-Q890 PolarHBondContact O-N 2.98Å
889I54.2Low46.9Very low113 Ų113127.8 Ų127.858%0.57970%0.7SS**  trans-80.8110.4170.1-58.7178.3000107.1F887 E891F887-I889 PolarHBondContact O-N 2.81Å; I889-E891 PolarHBondContact O-N 2.83Å
890Q46.9Very low47.1Very low179 Ų179134.9 Ų134.984%0.83672%0.717SS**  trans-84.9105.9172.3-158.2170.428.700107.7V888 G892V888-Q890 PolarHBondContact O-N 2.98Å; Q890-G892 PolarHBondContact O-N 3.42Å; Q890-G892 VanDerWaalsContact O-N 3.13Å
891E52.2Low46.7Very low135 Ų135134.3 Ų134.363%0.63172%0.724SS**  trans-71106178.9-171.4168.7-130.900109.4I889I889-E891 PolarHBondContact O-N 2.83Å
892G49.5Very low46Very low58 Ų58135 Ų13560%0.59873%0.732SS**  trans-70.1135.8177.700000111.1Q890 Q894Q890-G892 PolarHBondContact O-N 3.42Å; Q890-G892 VanDerWaalsContact O-N 3.13Å; G892-Q894 PolarHBondContact O-N 3.33Å
893L46.4Very low45.6Very low174 Ų174137.4 Ų137.491%0.91175%0.748SS**SBendtrans-72.731.2-179.7-63.1176.2000113.8
894Q43.8Very low44.7Very low169 Ų169139.3 Ų139.379%0.7976%0.758SS**SBendtrans-138.7120.6-176-161.8158.727.300109.6G892 F896G892-Q894 PolarHBondContact O-N 3.33Å; Q894-F896 PolarHBondContact O-N 3.5Å
895P43.5Very low43.7Very low118 Ų118141.4 Ų141.477%0.76677%0.771SS**  trans-56.7134.3178.8-25.334.3000111.4
896F33.5Very low43.1Very low184 Ų184137.6 Ų137.681%0.80776%0.763SS**  trans-54.2125.1175.1-72.5-84.3000109.9Q894 V898Q894-F896 PolarHBondContact O-N 3.5Å; F896-V898 PolarHBondContact O-N 3.17Å
897P39.5Very low41.8Very low122 Ų122141 Ų14179%0.79276%0.759SS**  trans-68.893.5-179.826.3-33.4000110N899P897-N899 PolarHBondContact O-N 3.1Å
898V41.5Very low40.9Very low123 Ų123141 Ų14175%0.74576%0.761SS**  trans-71.975.7179.9-77.40000110.8F896 R900F896-V898 PolarHBondContact O-N 3.17Å; V898-R900 PolarHBondContact O-N 2.99Å
899N36.8Very low39.6Very low142 Ų142142.5 Ų142.576%0.75977%0.77SS**  trans-74.963.1-175.9-152.7-7.2000112.4P897 S901P897-N899 PolarHBondContact O-N 3.1Å; N899-S901 PolarHBondContact O-N 3.32Å
900R40.2Very low38.5Very low232 Ų232142.6 Ų142.688%0.87578%0.779SS**  trans-86.271.6174.1-77.5-173169.1-172.7-1.5110.6V898V898-R900 PolarHBondContact O-N 2.99Å
901S35.2Very low37.7Very low110 Ų110142.9 Ų142.977%0.76978%0.777SS**  trans178.989.6147.6-83.10000111.9N899N899-S901 PolarHBondContact O-N 3.32Å
902S36.2Very low36.6Very low108 Ų108141.9 Ų141.976%0.75578%0.782SS**  trans-148.822163-65.70000112.6
903L44.3Very low35.5Very low176 Ų176147.7 Ų147.792%0.92179%0.794SS**  trans-106.472.7168.3-73.1179.8000109
904L32Very low34.6Very low165 Ų165147 Ų14786%0.86479%0.786SS**SBendtrans-176.876156.8-99.7166.9000110.3
905V33.3Very low33.9Very low131 Ų131145.1 Ų145.179%0.79479%0.786SS**  trans15140.1136.7-177.50000118.3
906P42.2Very low33.2Very low111 Ų111146.3 Ų146.372%0.72179%0.785SS**  cis-128.3-159.56.538.7-19.5000114.4
907E26.3Very low33.2Very low143 Ų143140.4 Ų140.467%0.66878%0.777SS**  trans118.891.3147.3-152.666.6-177.300118.2
908Q27Very low32.9Very low159 Ų159140.4 Ų140.474%0.74378%0.775SS**  trans39.5118.3144.4-53.8-163.387.200121.5
909V27Very low32.3Very low140 Ų140142.3 Ų142.385%0.84878%0.78SS**  trans-111.3130.6146.4175.90000108.1
910P31Very low32.2Very low116 Ų116139.6 Ų139.675%0.75379%0.787SS**  trans-64.9160.1-177.7-23.834.8000114.8
911K30.9Very low31.3Very low185 Ų185139.3 Ų139.380%0.80479%0.785SS**  trans-124.8113.3-178.3-178.3-168.9178.1-166.50111.8
912P29Very low31.2Very low113 Ų113140 Ų14073%0.73479%0.787SS**  trans-90.8148.2150.733.6-27.7000109.8
913Q26Very low30.7Very low181 Ų181138.2 Ų138.285%0.84678%0.779SS**  cis-148.4159-5.9-178.9170.1-29.100109
914E27.7Very low29.8Very low159 Ų159138 Ų13874%0.74378%0.778SS**  trans-98.2153.8-178.9-67.3177.788.200114
915V28.1Very low30.2Very low130 Ų130135.8 Ų135.879%0.78877%0.774SS**  trans-171.7121.9149.6135.20000104.6
916N29.7Very low29.9Very low142 Ų142133.4 Ų133.476%0.75977%0.768SS**  cis-126.5172.40.7-78-41.6000111.2
917G32.7Very low29.2Very low61 Ų61133.2 Ų133.263%0.62977%0.769SS**  trans-70.9-163.6175.400000115.1
918T33.8Very low29.2Very low122 Ų122133.6 Ų133.675%0.74877%0.77SS**  cis-157.9151.824.551.90000114.1
919N30.2Very low29.7Very low162 Ų162131.7 Ų131.787%0.86677%0.772SS**  trans58.5134.3145.5-54.6-11.3000121.4
920G33Very low29.9Very low86 Ų86130.2 Ų130.289%0.88776%0.763SS**  trans135.691149.200000118.3
921R21.9Very low29.8Very low226 Ų226133.5 Ų133.585%0.85377%0.765SS**  trans-120.5135.6158.8-176.8164.6-168.1-83.9-0.9105.8
922P33.8Very low30Very low125 Ų125129.8 Ų129.881%0.81276%0.76SS**  -142.3-161.876.237.5-16.3000115.2
923A24.6Very low30.3Very low70 Ų70129.8 Ų129.858%0.57976%0.758SS**  trans-147.6-173.6-163.300000112.4
924L26.5Very low30.8Very low170 Ų170129.1 Ų129.189%0.8976%0.755SS**  trans79.8165175.9-45.6179.4000114.1
925P40.7Very low31.3Very low120 Ų120127.1 Ų127.178%0.77976%0.756SS**  cis-137.1-172.94.242.6-24.6000117.2
926A25.2Very low32Very low81 Ų81125.7 Ų125.767%0.66975%0.752SS**  trans80.383.9142.300000123.5
927S28.8Very low32.4Very low106 Ų106125.4 Ų125.474%0.74176%0.755SS**  39131110.5650000124.7
928E25.5Very low32.6Very low151 Ų151128.9 Ų128.971%0.70676%0.76SS**  56.9141.4129.7-75.6-68.2138.900121.1V930E928-V930 WeakPolarHBondContact OE2-CG2 3.23Å; E928-V930 PolarHBondContact OE2-N 3.49Å
929P37.2Very low32.5Very low119 Ų119128.3 Ų128.377%0.77376%0.76SS**  -151.7133.967.737.8-15.9000120.7
930V31.8Very low32.8Very low109 Ų109128 Ų12866%0.66175%0.754SS**  45.8101.7125.4-170.80000122.1E928E928-V930 WeakPolarHBondContact OE2-CG2 3.23Å; E928-V930 PolarHBondContact OE2-N 3.49Å
931K29.9Very low33.2Very low186 Ų186132.3 Ų132.381%0.80975%0.751SS**  trans61.5167.3139.7-94.1-169.9171.3-174.90121.6
932P34.1Very low34.1Very low106 Ų106129.3 Ų129.369%0.68875%0.747SS**  cis-131.3148.1-5.735.3-16.5000118.3
933T36.3Very low34.3Very low114 Ų114130.6 Ų130.670%0.69975%0.747SS**  trans40.3110.6139.3-53.30000122.2
934E35.5Very low35.1Very low166 Ų166130.2 Ų130.278%0.77675%0.749SS**  trans65.3162.4154.9-63.8-56.7127.600118
935P38.1Very low35.4Very low118 Ų118126.3 Ų126.377%0.76675%0.75SS**  cis-129.2176.58.843.2-27.5000117.2
936S42.4Very low35Very low100 Ų100127.8 Ų127.870%0.69975%0.751SS**  trans-40.3137.2165.5167.90000116.1
937T37.6Very low35.6Very low136 Ų136130 Ų13083%0.83476%0.757SS**  -170.4162.1108.5-67.20000110.6
938D37.6Very low35.8Very low134 Ų134129 Ų12972%0.71776%0.764SS**  trans-79147.7-170.6-174.825.7000115.5
939S31.1Very low36.3Very low109 Ų109127.3 Ų127.376%0.76276%0.759SS**  trans175.3103.7146.2-77.30000113.8
940E37.2Very low36.6Very low157 Ų157129.2 Ų129.273%0.73476%0.762SS**  38146.2129.5-39.5-168.1104.500124.8
941E40.6Very low36.6Very low175 Ų175125.9 Ų125.982%0.81875%0.75SS**  trans73.5162.8153-34.4-153.6133.900120.3
942E41.8Very low37.2Very low164 Ų164122.1 Ų122.177%0.76674%0.738SS**  cis-160.1168-5.7-121.9-111.1112.800110.7
943D38.8Very low37.5Very low152 Ų152126.4 Ų126.481%0.81375%0.746SS**  trans51.8170.3158.2-143.238.8000120.5
944G40.5Very low37.8Very low62 Ų62126.9 Ų126.964%0.63975%0.754SS**  cis166.8126.3-16.100000112.8
945G31.8Very low37.8Very low88 Ų88122.2 Ų122.291%0.90775%0.751SS**  trans171160.7179.100000116.7
946D33.1Very low37.9Very low150 Ų150125 Ų12580%0.80275%0.753SS**  trans-138.2169.6-162.3-176.237.1000115.9
947T38Very low38.1Very low127 Ų127130 Ų13078%0.77976%0.762SS**  trans97.5127.716270.50000121
948G32.7Very low38.3Very low86 Ų86129.5 Ų129.589%0.88775%0.754SS**  trans137.8112.8159.900000117.8
949D35.7Very low39.3Very low116 Ų116130.2 Ų130.262%0.6275%0.747SS**  trans-141.5144175.8-171.239.4000110.1
950L43.6Very low41.3Very low159 Ų159129.5 Ų129.583%0.83274%0.738SS**  -167142.287.7-103168.5000112.5
951G32.3Very low43.5Very low38 Ų38125.6 Ų125.639%0.39273%0.725SS.*  trans-161.534.9-17700000119.7T201T201-G951 WeakPolarHBondContact CG2-O 3.39Å
952N42.3Very low45.8Very low107 Ų107119.3 Ų119.357%0.57270%0.697SS**  trans-62.9126.1-169.1-178.125.2000117.8
953K39.6Very low48.2Very low196 Ų196117.5 Ų117.585%0.85269%0.688SS**  trans-151.1153.5139.6-76-150.3177.8-175.10112.5
954S43.9Very low50.8Low124 Ų124110.3 Ų110.387%0.86765%0.649SS**  trans-99.3170.8-170.354.90000114
955G34.2Very low53Low68 Ų68112.3 Ų112.370%0.70164%0.642SS**  cis178.7-154.52.600000115.1
956H41.8Very low55.9Low177 Ų177111.4 Ų111.482%0.81961%0.613SS**  trans56.179.6174.8-88.3-82.1000119.5
957K45.2Very low58.7Low206 Ų206106.7 Ų106.790%0.89659%0.592SS**  trans-11259.2151.6-80.9-176.9176.11720111.2R959K957-R959 PolarHBondContact O-N 2.93Å
958D43.6Very low61.1Low124 Ų124103.3 Ų103.366%0.66358%0.582SS**  trans-74.4107.2176.8-162.4-24.6000110.9T960D958-T960 VanDerWaalsContact C-N 3.31Å; D958-T960 PolarHBondContact O-N 3.17Å
959R56.8Low63.9Low149 Ų149105.9 Ų105.956%0.56257%0.569SS**  trans-84.570.5-172.6-68.1172.478.6-168.39.9110.9K957 V961 H974K957-R959 PolarHBondContact O-N 2.93Å; R959-V961 PolarHBondContact O-N 2.99Å; R959-H974 PolarHBondContact NH2-ND1 3.03Å
960T74Confident66.5Low94 Ų94110.5 Ų110.558%0.57758%0.578SS**  trans-2.798.5173.945.40000114.8D958 L962D958-T960 VanDerWaalsContact C-N 3.31Å; D958-T960 PolarHBondContact O-N 3.17Å; T960-L962 PolarHBondContact O-N 3.13Å; T960-L962 VanDerWaalsContact O-N 3.15Å
961V83.4Confident68.6Low76 Ų76103.7 Ų103.746%0.46155%0.546SS..EExtended strand (participates in β ladder)trans-77.2101.1179.6179.90000109R959 R970R959-V961 PolarHBondContact O-N 2.99Å; V961-R970 HydrophobicContact CG1-CB 3.79Å; V961-R970 HydrophobicContact CG1-CG 4.37Å
962L87.7Confident71.2Confident42 Ų42105.8 Ų105.822%0.2255%0.545CS..EExtended strand (participates in β ladder)trans-79.1157.1178.5-53.7-176.3000110.4T960 R970 G971 A973 F976 K980T960-L962 PolarHBondContact O-N 3.13Å; T960-L962 VanDerWaalsContact O-N 3.15Å; L962-R970 CarbonylContact O-C 3.56Å; L962-R970 VanDerWaalsContact O-CA 3.28Å; L962-R970 WeakPolarHBondContact O-CA 3.45Å; L962-G971 PolarHBondContact N-O 3.25Å; L962-G971 PolarHBondContact O-N 3.43Å; L962-A973 HydrophobicContact CD1-CB 3.85Å; L962-A973 HydrophobicContact CG-CB 4.24Å; L962-F976 VanDerWaalsContact C-CZ 3.43Å; L962-F976 HydrophobicContact CB-CD1 4.07Å; L962-F976 HydrophobicContact CB-CD2 3.93Å; L962-F976 HydrophobicContact CB-CE1 3.86Å; L962-F976 HydrophobicContact CB-CE2 3.75Å; L962-F976 HydrophobicContact CB-CG 4.12Å; L962-F976 HydrophobicContact CB-CZ 3.72Å; L962-F976 HydrophobicContact CD1-CB 4.31Å; L962-F976 HydrophobicContact CD1-CD1 4.4Å; L962-F976 HydrophobicContact CD1-CD2 4.42Å; L962-F976 HydrophobicContact CD1-CG 4.11Å; L962-F976 VanDerWaalsContact O-CZ 3.27Å; L962-F976 WeakPolarHBondContact O-CZ 3.45Å; L962-K980 HydrophobicContact CD1-CB 3.93Å; L962-K980 HydrophobicContact CD1-CG 4.21Å
963H92.2Very high73.1Confident126 Ų126102.4 Ų102.458%0.58353%0.532SS*.EExtended strand (participates in β ladder)trans-117.2135.6176.864.4-95.3000110.8Q965 R970 F976H963-Q965 PolarHBondContact O-N 2.73Å; H963-R970 HydrophobicContact CB-CG 4.24Å; H963-F976 VanDerWaalsContact C-CE1 3.49Å
964C93.4Very high75.1Confident1 Ų198.8 Ų98.81%0.00752%0.518CS..  trans-79.4114.2-179.6178.70000111.1F966 C967 G968 K969 F976 C983C964-F966 PolarHBondContact O-N 3.12Å; C964-C967 PolarHBondContact O-N 3.24Å; C964-G968 WeakPolarHBondContact O-CA 3.3Å; C964-G968 PolarHBondContact O-N 2.94Å; C964-K969 PolarHBondContact N-O 3.41Å; C964-F976 HydrophobicContact CB-CE1 4.02Å; C964-F976 HydrophobicContact CB-CZ 4.17Å; C964-C983 HydrophobicContact CB-CB 4.13Å
965Q88.6Confident76.7Confident104 Ų10497 Ų9749%0.48650%0.499SS..THydrogen-bonded Turntrans-61.5-12.8-174.1-153.3-17922.600114.7H963 R981 F982 F991H963-Q965 PolarHBondContact O-N 2.73Å; Q965-R981 PolarHBondContact N-O 2.93Å; Q965-R981 VanDerWaalsContact N-O 3.14Å; Q965-F982 HydrophobicContact CB-CE1 3.97Å; Q965-F991 HydrophobicContact CB-CE2 4.32Å; Q965-F991 HydrophobicContact CG-CD2 4.45Å; Q965-F991 HydrophobicContact CG-CE2 3.79Å; Q965-F991 HydrophobicContact CG-CZ 4.28Å
966F91.6Very high79.2Confident69 Ų6994.5 Ų94.530%0.30347%0.469SS..THydrogen-bonded Turntrans-95.3-42.8174.9-177.4-111.8000114.7C964 F982 C987 G990 F991C964-F966 PolarHBondContact O-N 3.12Å; F966-F982 HydrophobicContact CB-CD1 4.27Å; F966-F982 HydrophobicContact CB-CE1 4.36Å; F966-C987 HydrophobicContact CB-CB 3.91Å; F966-C987 WeakPolarHBondContact CB-O 3.48Å; F966-C987 HydrophobicContact CD1-CB 4.01Å; F966-C987 HydrophobicContact CG-CB 4.34Å; F966-C987 WeakPolarHBondContact CG-O 3.48Å; F966-G990 VanDerWaalsContact CD2-C 3.43Å; F966-G990 WeakPolarHBondContact CE2-O 3.28Å; F966-F991 HydrophobicContact CB-CB 4.19Å; F966-F991 HydrophobicContact CD2-CB 4.05Å; F966-F991 HydrophobicContact CG-CB 4.46Å
967C91.9Very high80.9Confident52 Ų5289.9 Ų89.935%0.35145%0.448SS..THydrogen-bonded Turntrans-118.53.9-169.671.30000114.3C964 K969C964-C967 PolarHBondContact O-N 3.24Å; C967-K969 PolarHBondContact O-N 3.46Å
968G89.1Confident82.3Confident56 Ų5692.4 Ų92.458%0.57745%0.452SS*.  trans70.4-12.517800000115.6C964 R970C964-G968 WeakPolarHBondContact O-CA 3.3Å; C964-G968 PolarHBondContact O-N 2.94Å; G968-R970 PolarHBondContact O-N 3.28Å
969K90.3Very high83.8Confident140 Ų14088.9 Ų88.961%0.60944%0.437SS*.  trans-60.3123.8-176.1-68.6-166.3-70.8-177.20111.4C964 C967C964-K969 PolarHBondContact N-O 3.41Å; C967-K969 PolarHBondContact O-N 3.46Å
970R92Very high85Confident212 Ų21288.8 Ų88.880%0.844%0.441SS*.EExtended strand (participates in β ladder)trans-79.9146170.6-75.6-172.7-77.9-167.8-2.6110V961 L962 H963 G968V961-R970 HydrophobicContact CG1-CB 3.79Å; V961-R970 HydrophobicContact CG1-CG 4.37Å; L962-R970 CarbonylContact O-C 3.56Å; L962-R970 VanDerWaalsContact O-CA 3.28Å; L962-R970 WeakPolarHBondContact O-CA 3.45Å; H963-R970 HydrophobicContact CB-CG 4.24Å; G968-R970 PolarHBondContact O-N 3.28Å
971G86Confident85.8Confident16 Ų1691.7 Ų91.717%0.16544%0.441CS..EExtended strand (participates in β ladder)trans-176.4158.1174.900000113L962 F976L962-G971 PolarHBondContact N-O 3.25Å; L962-G971 PolarHBondContact O-N 3.43Å; G971-F976 WeakPolarHBondContact O-CE2 3.19Å
972H87.8Confident86.3Confident83 Ų8388.9 Ų88.938%0.38442%0.423SS..EExtended strand (participates in β ladder)trans-60146.9178.2-52.3105.9000111.7H974 N975H972-H974 PolarHBondContact O-N 3.1Å; H972-N975 WeakPolarHBondContact O-CB 3.41Å; H972-N975 PolarHBondContact O-N 3.29Å; H972-N975 PolarHBondContact O-ND2 3.17Å
973A82.9Confident86.4Confident35 Ų3588.6 Ų88.629%0.28942%0.424SS..G310 helixtrans-50.8-24.3-173.400000116.8L962 N975 F976L962-A973 HydrophobicContact CD1-CB 3.85Å; L962-A973 HydrophobicContact CG-CB 4.24Å; A973-N975 VanDerWaalsContact C-N 3.33Å; A973-F976 PolarHBondContact O-N 3.29Å
974H80.8Confident86.4Confident120 Ų12084.4 Ų84.456%0.55641%0.409SS*.G310 helixtrans-73.9-18.5175.468.8-92.1000114.4R959 H972R959-H974 PolarHBondContact NH2-ND1 3.03Å; H972-H974 PolarHBondContact O-N 3.1Å
975N77.8Confident86.1Confident86 Ų8688.3 Ų88.346%0.4643%0.433SS..G310 helixtrans-84.51173-65.7-88.2000112.3H972 A973 C983H972-N975 WeakPolarHBondContact O-CB 3.41Å; H972-N975 PolarHBondContact O-N 3.29Å; H972-N975 PolarHBondContact O-ND2 3.17Å; A973-N975 VanDerWaalsContact C-N 3.33Å; N975-C983 WeakPolarHBondContact O-CA 3.3Å
976F86Confident86.3Confident17 Ų1787.5 Ų87.58%0.07544%0.438CS..SBendtrans-103.1141177.1-77.3-110.3000109.1L962 H963 C964 G971 A973 K980 C983L962-F976 VanDerWaalsContact C-CZ 3.43Å; L962-F976 HydrophobicContact CB-CD1 4.07Å; L962-F976 HydrophobicContact CB-CD2 3.93Å; L962-F976 HydrophobicContact CB-CE1 3.86Å; L962-F976 HydrophobicContact CB-CE2 3.75Å; L962-F976 HydrophobicContact CB-CG 4.12Å; L962-F976 HydrophobicContact CB-CZ 3.72Å; L962-F976 HydrophobicContact CD1-CB 4.31Å; L962-F976 HydrophobicContact CD1-CD1 4.4Å; L962-F976 HydrophobicContact CD1-CD2 4.42Å; L962-F976 HydrophobicContact CD1-CG 4.11Å; L962-F976 VanDerWaalsContact O-CZ 3.27Å; L962-F976 WeakPolarHBondContact O-CZ 3.45Å; H963-F976 VanDerWaalsContact C-CE1 3.49Å; C964-F976 HydrophobicContact CB-CE1 4.02Å; C964-F976 HydrophobicContact CB-CZ 4.17Å; G971-F976 WeakPolarHBondContact O-CE2 3.19Å; A973-F976 PolarHBondContact O-N 3.29Å; F976-K980 VanDerWaalsContact CD1-O 3.22Å; F976-K980 WeakPolarHBondContact CD1-O 3.42Å; F976-C983 HydrophobicContact CE2-CB 4.48Å; F976-C983 HydrophobicContact CZ-CB 4.4Å
977M77.9Confident86.4Confident79 Ų7984.7 Ų84.739%0.38943%0.428SS..  trans-59.9164.9171.8-65.5-162.77600110.6S979 K980 F982 S984 T985M977-S979 PolarHBondContact O-N 2.71Å; M977-K980 PolarHBondContact O-N 2.89Å; M977-F982 PolarHBondContact N-O 3.37Å; M977-S984 VanDerWaalsContact SD-C 3.5Å; M977-T985 HydrophobicContact CE-CG2 3.52Å; M977-T985 HydrophobicContact SD-CG2 3.6Å; M977-T985 PolarHBondContact SD-N 3.22Å
978R74.7Confident86.3Confident259 Ų25983.3 Ų83.398%0.97742%0.419SS*.THydrogen-bonded Turntrans-46-23.4-179.4-156.1175-173.5121-3.3115.3
979S74.4Confident86.3Confident50 Ų5090 Ų9035%0.3543%0.427SS..THydrogen-bonded Turntrans-80.8-3.7175.260.40000116.1M977 R981M977-S979 PolarHBondContact O-N 2.71Å; S979-R981 PolarHBondContact O-N 3.47Å
980K83.1Confident86.3Confident147 Ų14784.2 Ų84.264%0.63941%0.407SS*.SBendtrans54.9-3.3-179.1-67.6-177.7-178.9177.20117.2L962 F976 M977L962-K980 HydrophobicContact CD1-CB 3.93Å; L962-K980 HydrophobicContact CD1-CG 4.21Å; F976-K980 VanDerWaalsContact CD1-O 3.22Å; F976-K980 WeakPolarHBondContact CD1-O 3.42Å; M977-K980 PolarHBondContact O-N 2.89Å
981R89.8Confident86Confident156 Ų15676.6 Ų76.659%0.58938%0.38SS*.SBendtrans-97.5-18.1-178.5-67.8-177.2-76.3-97.48.4114.9Q965 S979Q965-R981 PolarHBondContact N-O 2.93Å; Q965-R981 VanDerWaalsContact N-O 3.14Å; S979-R981 PolarHBondContact O-N 3.47Å
982F93.4Very high85.9Confident17 Ų1780.4 Ų80.48%0.07540%0.397CS..  trans-135.7136.1-175.5-53.6-73000112.8Q965 F966 M977 S984 C987 A988 F991Q965-F982 HydrophobicContact CB-CE1 3.97Å; F966-F982 HydrophobicContact CB-CD1 4.27Å; F966-F982 HydrophobicContact CB-CE1 4.36Å; M977-F982 PolarHBondContact N-O 3.37Å; F982-S984 VanDerWaalsContact C-N 3.31Å; F982-C987 HydrophobicContact CB-CB 4.16Å; F982-C987 HydrophobicContact CD1-CB 4.27Å; F982-A988 HydrophobicContact CB-CB 4.15Å; F982-A988 HydrophobicContact CD2-CB 3.63Å; F982-A988 HydrophobicContact CE2-CB 4.17Å; F982-A988 HydrophobicContact CG-CB 3.83Å; F982-F991 HydrophobicContact CD1-CB 4.48Å; F982-F991 HydrophobicContact CE1-CB 3.54Å; F982-F991 HydrophobicContact CE1-CD1 4.17Å; F982-F991 HydrophobicContact CE1-CD2 4.01Å; F982-F991 AromaticContact CE1-CG 3.65Å; F982-F991 HydrophobicContact CE1-CG 3.65Å; F982-F991 HydrophobicContact CZ-CB 3.84Å; F982-F991 AromaticContact CZ-CD1 3.76Å; F982-F991 HydrophobicContact CZ-CD1 3.76Å; F982-F991 HydrophobicContact CZ-CD2 4.38Å; F982-F991 HydrophobicContact CZ-CE1 4.42Å; F982-F991 AromaticContact CZ-CG 3.73Å; F982-F991 HydrophobicContact CZ-CG 3.73Å
983C91.8Very high85.8Confident36 Ų3681.4 Ų81.424%0.24341%0.409CS..SBendtrans-82.3-2.817770.70000114.2C964 N975 F976C964-C983 HydrophobicContact CB-CB 4.13Å; N975-C983 WeakPolarHBondContact O-CA 3.3Å; F976-C983 HydrophobicContact CE2-CB 4.48Å; F976-C983 HydrophobicContact CZ-CB 4.4Å
984S90.1Very high85.5Confident38 Ų3888 Ų8827%0.26643%0.426SS..SBendtrans-163.1163.3171.971.40000112.9M977 F982 S986 C987 A988M977-S984 VanDerWaalsContact SD-C 3.5Å; F982-S984 VanDerWaalsContact C-N 3.31Å; S984-S986 VanDerWaalsContact C-N 3.29Å; S984-S986 PolarHBondContact O-N 3.24Å; S984-C987 WeakPolarHBondContact O-CB 3.45Å; S984-C987 PolarHBondContact O-N 3Å; S984-C987 VanDerWaalsContact O-N 3.11Å; S984-C987 PolarHBondContact OG-N 3.43Å; S984-C987 PolarHBondContact OG-SG 3.49Å; S984-A988 PolarHBondContact O-N 3.14Å; S984-A988 VanDerWaalsContact O-N 3.09Å
985T89.1Confident85.1Confident83 Ų8386 Ų8651%0.50942%0.419SS..Hα-helixtrans-57.2-42.7172.946.80000111.6M977 C987 A988 R989M977-T985 HydrophobicContact CE-CG2 3.52Å; M977-T985 HydrophobicContact SD-CG2 3.6Å; M977-T985 PolarHBondContact SD-N 3.22Å; T985-C987 VanDerWaalsContact C-N 3.29Å; T985-C987 PolarHBondContact O-N 2.79Å; T985-A988 PolarHBondContact O-N 3.3Å; T985-R989 WeakPolarHBondContact O-CG 3.44Å; T985-R989 PolarHBondContact O-N 3.14Å
986S92.1Very high84.9Confident86 Ų8685.7 Ų85.760%0.60142%0.42SS*.Hα-helixtrans-60.7-36.9175.9-49.80000112.3S984 G990S984-S986 VanDerWaalsContact C-N 3.29Å; S984-S986 PolarHBondContact O-N 3.24Å; S986-G990 PolarHBondContact O-N 3.05Å
987C93.3Very high84.2Confident11 Ų1192.8 Ų92.87%0.07445%0.451CS..Hα-helixtrans-67.8-44.3174.8-68.30000112.1F966 F982 S984 T985 G990 F991F966-C987 HydrophobicContact CB-CB 3.91Å; F966-C987 WeakPolarHBondContact CB-O 3.48Å; F966-C987 HydrophobicContact CD1-CB 4.01Å; F966-C987 HydrophobicContact CG-CB 4.34Å; F966-C987 WeakPolarHBondContact CG-O 3.48Å; F982-C987 HydrophobicContact CB-CB 4.16Å; F982-C987 HydrophobicContact CD1-CB 4.27Å; S984-C987 WeakPolarHBondContact O-CB 3.45Å; S984-C987 PolarHBondContact O-N 3Å; S984-C987 VanDerWaalsContact O-N 3.11Å; S984-C987 PolarHBondContact OG-N 3.43Å; S984-C987 PolarHBondContact OG-SG 3.49Å; T985-C987 VanDerWaalsContact C-N 3.29Å; T985-C987 PolarHBondContact O-N 2.79Å; C987-G990 PolarHBondContact O-N 3Å; C987-F991 WeakPolarHBondContact O-CB 3.35Å; C987-F991 PolarHBondContact O-N 3.31Å
988A90.6Very high83.9Confident22 Ų2297.9 Ų97.918%0.18247%0.466CS..Hα-helixtrans-62.2-44.8176.300000112F982 S984 T985 F991 N992F982-A988 HydrophobicContact CB-CB 4.15Å; F982-A988 HydrophobicContact CD2-CB 3.63Å; F982-A988 HydrophobicContact CE2-CB 4.17Å; F982-A988 HydrophobicContact CG-CB 3.83Å; S984-A988 PolarHBondContact O-N 3.14Å; S984-A988 VanDerWaalsContact O-N 3.09Å; T985-A988 PolarHBondContact O-N 3.3Å; A988-F991 PolarHBondContact O-N 3.4Å; A988-N992 PolarHBondContact O-N 3.33Å; A988-N992 PolarHBondContact O-ND2 3.25Å
989R89.5Confident83.4Confident197 Ų19790.1 Ų90.174%0.74344%0.443SS*.Hα-helixtrans-66.4-42.9177.4-66.8178.382165.75.9111.8T985 F991 N992 V993T985-R989 WeakPolarHBondContact O-CG 3.44Å; T985-R989 PolarHBondContact O-N 3.14Å; R989-F991 VanDerWaalsContact C-N 3.35Å; R989-F991 PolarHBondContact O-N 3Å; R989-N992 PolarHBondContact O-N 3.11Å; R989-V993 WeakPolarHBondContact O-CG2 3.46Å; R989-V993 PolarHBondContact O-N 3.3Å; R989-V993 VanDerWaalsContact O-N 3.16Å
990G88.4Confident83Confident18 Ų1896.8 Ų96.819%0.18646%0.461CS..Hα-helixtrans-60.8-40.3175.900000113.1F966 S986 C987 V993 R994F966-G990 VanDerWaalsContact CD2-C 3.43Å; F966-G990 WeakPolarHBondContact CE2-O 3.28Å; S986-G990 PolarHBondContact O-N 3.05Å; C987-G990 PolarHBondContact O-N 3Å; G990-V993 PolarHBondContact O-N 2.92Å; G990-R994 WeakPolarHBondContact O-CB 3.38Å; G990-R994 PolarHBondContact O-N 2.85Å
991F87.1Confident81.9Confident53 Ų5392.8 Ų92.823%0.23246%0.455CS..Hα-helixtrans-61.3-48.6176.6-173.6-96000111.8Q965 F966 F982 C987 A988 R989 V993 R994 L995Q965-F991 HydrophobicContact CB-CE2 4.32Å; Q965-F991 HydrophobicContact CG-CD2 4.45Å; Q965-F991 HydrophobicContact CG-CE2 3.79Å; Q965-F991 HydrophobicContact CG-CZ 4.28Å; F966-F991 HydrophobicContact CB-CB 4.19Å; F966-F991 HydrophobicContact CD2-CB 4.05Å; F966-F991 HydrophobicContact CG-CB 4.46Å; F982-F991 HydrophobicContact CD1-CB 4.48Å; F982-F991 HydrophobicContact CE1-CB 3.54Å; F982-F991 HydrophobicContact CE1-CD1 4.17Å; F982-F991 HydrophobicContact CE1-CD2 4.01Å; F982-F991 AromaticContact CE1-CG 3.65Å; F982-F991 HydrophobicContact CE1-CG 3.65Å; F982-F991 HydrophobicContact CZ-CB 3.84Å; F982-F991 AromaticContact CZ-CD1 3.76Å; F982-F991 HydrophobicContact CZ-CD1 3.76Å; F982-F991 HydrophobicContact CZ-CD2 4.38Å; F982-F991 HydrophobicContact CZ-CE1 4.42Å; F982-F991 AromaticContact CZ-CG 3.73Å; F982-F991 HydrophobicContact CZ-CG 3.73Å; C987-F991 WeakPolarHBondContact O-CB 3.35Å; C987-F991 PolarHBondContact O-N 3.31Å; A988-F991 PolarHBondContact O-N 3.4Å; R989-F991 VanDerWaalsContact C-N 3.35Å; R989-F991 PolarHBondContact O-N 3Å; F991-V993 PolarHBondContact O-N 3.45Å; F991-R994 PolarHBondContact O-N 2.94Å; F991-L995 HydrophobicContact CE1-CD2 4.29Å; F991-L995 WeakPolarHBondContact O-CB 3.48Å; F991-L995 PolarHBondContact O-N 3.46Å
992N84.3Confident80.3Confident95 Ų9590.6 Ų90.651%0.50846%0.455SS..Hα-helixtrans-58.1-47.9178.2-79.5-83.5000111.8A988 R989 R994 L995 T996A988-N992 PolarHBondContact O-N 3.33Å; A988-N992 PolarHBondContact O-ND2 3.25Å; R989-N992 PolarHBondContact O-N 3.11Å; N992-R994 VanDerWaalsContact C-N 3.33Å; N992-R994 PolarHBondContact O-N 3.08Å; N992-L995 PolarHBondContact O-N 3.02Å; N992-T996 PolarHBondContact O-N 3.3Å; N992-T996 PolarHBondContact O-OG1 3.32Å; N992-T996 VanDerWaalsContact O-OG1 3.05Å
993V84.1Confident78.1Confident105 Ų10595 Ų9564%0.63649%0.488SS*.Hα-helixtrans-61.2-40.5177.2174.70000111.9R989 G990 F991 K997R989-V993 WeakPolarHBondContact O-CG2 3.46Å; R989-V993 PolarHBondContact O-N 3.3Å; R989-V993 VanDerWaalsContact O-N 3.16Å; G990-V993 PolarHBondContact O-N 2.92Å; F991-V993 PolarHBondContact O-N 3.45Å; V993-K997 WeakPolarHBondContact O-CB 3.28Å; V993-K997 PolarHBondContact O-N 2.92Å
994R77.9Confident75.8Confident174 Ų17497.6 Ų97.666%0.65751%0.512SS*.Hα-helixtrans-69.6-35.5178.6-155.8174.4-166.1172.33.5111.9G990 F991 N992 K997 R998G990-R994 WeakPolarHBondContact O-CB 3.38Å; G990-R994 PolarHBondContact O-N 2.85Å; F991-R994 PolarHBondContact O-N 2.94Å; N992-R994 VanDerWaalsContact C-N 3.33Å; N992-R994 PolarHBondContact O-N 3.08Å; R994-K997 PolarHBondContact O-N 3.24Å; R994-R998 WeakPolarHBondContact O-CB 3.33Å; R994-R998 PolarHBondContact O-N 3.25Å
995L71.6Confident73.7Confident76 Ų7698.5 Ų98.540%0.39853%0.527SS..Hα-helixtrans-65.6-49.8173.5-17861.7000111.1F991 N992 K997 R998 L999F991-L995 HydrophobicContact CE1-CD2 4.29Å; F991-L995 WeakPolarHBondContact O-CB 3.48Å; F991-L995 PolarHBondContact O-N 3.46Å; N992-L995 PolarHBondContact O-N 3.02Å; L995-K997 VanDerWaalsContact C-N 3.26Å; L995-K997 PolarHBondContact O-N 2.83Å; L995-R998 PolarHBondContact O-N 2.9Å; L995-R998 VanDerWaalsContact O-N 3.08Å; L995-L999 HydrophobicContact CD1-CD1 4.35Å; L995-L999 HydrophobicContact CD1-CG 4.36Å; L995-L999 HydrophobicContact CG-CD1 4.08Å; L995-L999 WeakPolarHBondContact O-CG 3.45Å; L995-L999 PolarHBondContact O-N 3.1Å
996T73.6Confident71.1Confident80 Ų8099.8 Ų99.849%0.49154%0.539SS..Hα-helixtrans-58.7-37.8175.1-48.60000111.9N992 R1000N992-T996 PolarHBondContact O-N 3.3Å; N992-T996 PolarHBondContact O-OG1 3.32Å; N992-T996 VanDerWaalsContact O-OG1 3.05Å; T996-R1000 WeakPolarHBondContact O-CB 3.33Å; T996-R1000 PolarHBondContact O-N 3.31Å
997K72.6Confident68.5Low167 Ų167107.4 Ų107.473%0.72656%0.555SS**Hα-helixtrans-68.5-37.6175-170.3171-178.7176.70112.6V993 R994 L995 A1001V993-K997 WeakPolarHBondContact O-CB 3.28Å; V993-K997 PolarHBondContact O-N 2.92Å; R994-K997 PolarHBondContact O-N 3.24Å; L995-K997 VanDerWaalsContact C-N 3.26Å; L995-K997 PolarHBondContact O-N 2.83Å; K997-A1001 PolarHBondContact O-N 3.25Å; K997-A1001 VanDerWaalsContact O-N 3.1Å
998R69.9Low65.9Low186 Ų186112.3 Ų112.370%0.70259%0.589SS**Hα-helixtrans-68.8-43.7175.8-166175.6-171.41742.3111.6R994 L995 R1000 A1001 L1002R994-R998 WeakPolarHBondContact O-CB 3.33Å; R994-R998 PolarHBondContact O-N 3.25Å; L995-R998 PolarHBondContact O-N 2.9Å; L995-R998 VanDerWaalsContact O-N 3.08Å; R998-R1000 PolarHBondContact O-N 3.07Å; R998-A1001 WeakPolarHBondContact O-CB 3.38Å; R998-A1001 PolarHBondContact O-N 3.31Å; R998-A1001 VanDerWaalsContact O-N 3.17Å; R998-L1002 HydrophobicContact CG-CD1 4.45Å; R998-L1002 WeakPolarHBondContact O-CG 3.36Å; R998-L1002 PolarHBondContact O-N 3.35Å
999L64.3Low63.1Low96 Ų96120.4 Ų120.450%0.50362%0.623SS.*Hα-helixtrans-59.2-46174-69.5169.2000111.3L995 A1001 L1002 S1003L995-L999 HydrophobicContact CD1-CD1 4.35Å; L995-L999 HydrophobicContact CD1-CG 4.36Å; L995-L999 HydrophobicContact CG-CD1 4.08Å; L995-L999 WeakPolarHBondContact O-CG 3.45Å; L995-L999 PolarHBondContact O-N 3.1Å; L999-A1001 VanDerWaalsContact C-N 3.28Å; L999-A1001 PolarHBondContact O-N 2.91Å; L999-L1002 PolarHBondContact O-N 3.43Å; L999-S1003 PolarHBondContact O-N 2.96Å; L999-S1003 PolarHBondContact O-OG 3.15Å; L999-S1003 VanDerWaalsContact O-OG 3.13Å
1000R67.5Low60.3Low189 Ų189121.8 Ų121.871%0.71363%0.628SS**Hα-helixtrans-61.8-32.6175.6-172.6177.7-64.7-172.3-0.6113.4T996 R998 A1004T996-R1000 WeakPolarHBondContact O-CB 3.33Å; T996-R1000 PolarHBondContact O-N 3.31Å; R998-R1000 PolarHBondContact O-N 3.07Å; R1000-A1004 PolarHBondContact O-N 3.09Å
1001A59Low57.9Low64 Ų64126.7 Ų126.753%0.52966%0.657SS.*Hα-helixtrans-70.8-41.4174.400000111.8K997 R998 L999 S1003 A1004 G1005K997-A1001 PolarHBondContact O-N 3.25Å; K997-A1001 VanDerWaalsContact O-N 3.1Å; R998-A1001 WeakPolarHBondContact O-CB 3.38Å; R998-A1001 PolarHBondContact O-N 3.31Å; R998-A1001 VanDerWaalsContact O-N 3.17Å; L999-A1001 VanDerWaalsContact C-N 3.28Å; L999-A1001 PolarHBondContact O-N 2.91Å; A1001-S1003 VanDerWaalsContact C-N 3.35Å; A1001-S1003 PolarHBondContact O-N 3.44Å; A1001-A1004 PolarHBondContact O-N 2.88Å; A1001-G1005 PolarHBondContact O-N 3.28Å
1002L55.4Low55.2Low110 Ų110135.8 Ų135.858%0.57669%0.69SS**Hα-helixtrans-64.4-37.6175.5-66.7167.1000111.9R998 L999 A1004 G1005R998-L1002 HydrophobicContact CG-CD1 4.45Å; R998-L1002 WeakPolarHBondContact O-CG 3.36Å; R998-L1002 PolarHBondContact O-N 3.35Å; L999-L1002 PolarHBondContact O-N 3.43Å; L1002-A1004 PolarHBondContact O-N 2.79Å; L1002-G1005 PolarHBondContact O-N 2.97Å
1003S48.9Very low53.2Low110 Ų110137.5 Ų137.577%0.76971%0.706SS**THydrogen-bonded Turntrans-66.8-8.8171.9-55.10000114.6L999 A1001L999-S1003 PolarHBondContact O-N 2.96Å; L999-S1003 PolarHBondContact O-OG 3.15Å; L999-S1003 VanDerWaalsContact O-OG 3.13Å; A1001-S1003 VanDerWaalsContact C-N 3.35Å; A1001-S1003 PolarHBondContact O-N 3.44Å
1004A42.9Very low50.7Low90 Ų90137.1 Ų137.174%0.74471%0.714SS**THydrogen-bonded Turntrans-109.71.3-17900000113.5R1000 A1001 L1002R1000-A1004 PolarHBondContact O-N 3.09Å; A1001-A1004 PolarHBondContact O-N 2.88Å; L1002-A1004 PolarHBondContact O-N 2.79Å
1005G46Very low48.5Very low56 Ų56136.2 Ų136.258%0.57772%0.722SS**  trans-169.899-17900000113A1001 L1002A1001-G1005 PolarHBondContact O-N 3.28Å; L1002-G1005 PolarHBondContact O-N 2.97Å
1006S33.6Very low46.7Very low111 Ų111139.1 Ų139.178%0.77674%0.738SS**  trans-143.495.2164.4-172.90000109.7
1007R39.1Very low44.7Very low245 Ų245147 Ų14793%0.92576%0.758SS**  trans-86.7144145.2-90.9-175.2166.7-118.3-0.1106.5E1009R1007-E1009 PolarHBondContact O-N 3.39Å
1008S37.3Very low42.6Very low115 Ų115143.5 Ų143.580%0.80476%0.76SS**  trans-65.3126-174-172.20000111.8
1009E32.1Very low40.6Very low191 Ų191143.3 Ų143.389%0.89377%0.768SS**  trans-125.8134.2158-161.2178.6127.500107.9R1007R1007-E1009 PolarHBondContact O-N 3.39Å
1010R31.6Very low39Very low226 Ų226144.5 Ų144.585%0.85378%0.784SS**  trans-117113.6-163.1-168.9-176.9-165.2174.25109.3
1011P36.8Very low37.1Very low122 Ų122142.2 Ų142.279%0.79279%0.791SS**  trans-70.6145.6-175.128.4-34.6000112.1
1012R31Very low36.2Very low244 Ų244143.7 Ų143.792%0.92180%0.795SS**  trans-115.9151.1160.2-87.3-176.3168.1172.5-3.9109.5
1013P41.8Very low34.8Very low131 Ų131142.1 Ų142.185%0.85181%0.806SS**  trans-97.6147.6-169.636.7-34.3000114.1
1014A32.7Very low33.9Very low97 Ų97145.3 Ų145.380%0.80281%0.806SS**  trans-158.7119.2154.400000112.7
1015L30.8Very low33.9Very low155 Ų155146.1 Ų146.181%0.81280%0.803SS**  trans19.2131.6143.2-60.6168.7000122.5
1016N33.7Very low33Very low137 Ų137150.6 Ų150.673%0.73381%0.813SS**  trans72.4107.4130.3-67.9-18.4000123.7
1017R31.8Very low32.7Very low244 Ų244151.8 Ų151.892%0.92181%0.81SS**  94.8149.5111.3-165.9174.2-177.2125.70.9120.2
1018A28.3Very low32.1Very low94 Ų94145.9 Ų145.978%0.77780%0.796SS**  trans82.7133.416500000119.1
1019E28.3Very low31.7Very low183 Ų183150.8 Ų150.886%0.85580%0.797SS**  trans-86.7150.5175.4-61.1147.889.300111.4
1020S29.7Very low31.5Very low121 Ų121149.3 Ų149.385%0.84679%0.794SS**  trans-178.2113.1136-86.10000113.6
1021V29.3Very low32Very low141 Ų141143.8 Ų143.886%0.85579%0.788SS**  trans-155.8135.4171.1174.80000105.6
1022P39.2Very low31.4Very low94 Ų94148.6 Ų148.661%0.6179%0.79SS**  cis-137.3150.729.831.1-9.5000118.5
1023G27.2Very low31.3Very low78 Ų78142.5 Ų142.580%0.80478%0.776SS**  trans-117.6141.2151.900000111.1
1024K29.5Very low30.5Very low177 Ų177143.7 Ų143.777%0.7777%0.774SS**  trans-149.9169.6-177.8-61.9168.1-174.3155.90106.4
1025P41.4Very low30.1Very low107 Ų107148.5 Ų148.570%0.69577%0.772SS**  cis-149.2-172.920.636.1-10.8000117.2
1026L28.9Very low30.1Very low149 Ų149147.2 Ų147.278%0.7878%0.776SS**  trans69.9152.8159.1-47.6-172.8000118
1027L26.3Very low29.7Very low136 Ų136143.7 Ų143.771%0.71277%0.766SS**  cis-163.5175.8-18.7-116.4176.4000112.8
1028L27.4Very low29.4Very low122 Ų122136.2 Ų136.264%0.63977%0.765SS**  trans83.6134.8147.5-80.7151.7000122.2
1029R28.1Very low29.4Very low217 Ų217142.6 Ų142.682%0.81977%0.769SS**  trans57.1118.4156-74.7171156.498-3.2118.7
1030L27.2Very low29.6Very low160 Ų160145.4 Ų145.484%0.83877%0.771SS**  cis71.613436.8-157.186.7000113.5
1031P42.7Very low29.5Very low111 Ų111148.5 Ų148.572%0.72177%0.773SS**  cis-137.5-170-36.341.5-25.4000113.7
1032R25.3Very low29.9Very low223 Ų223149.9 Ų149.984%0.84277%0.767SS**  trans129.7164.9138.3-157.9160.5-169.6-177.72.9115.7
1033D27.3Very low29.6Very low116 Ų116152.1 Ų152.162%0.6277%0.774SS**  trans-58.6163.7-173.3-38.6-71.8000115.1
1034L25.2Very low29.9Very low155 Ų155152.3 Ų152.381%0.81278%0.775SS**  trans72.2152.7167.6-57.6165.8000114.8
1035W25.4Very low29.8Very low199 Ų199152.6 Ų152.675%0.75478%0.777SS**  cis-171145.1-12.3158.7-73.2000108.1A1037W1035-A1037 HydrophobicContact CZ2-CB 4.1Å
1036S30.1Very low29.1Very low128 Ų128154.9 Ų154.990%0.89578%0.778SS**  trans-141.762.2175.1-61.60000113.5
1037A24.7Very low29Very low63 Ų63157 Ų15752%0.52178%0.781SS.*SBendtrans-70.9144.9140.400000108.1W1035 R1039W1035-A1037 HydrophobicContact CZ2-CB 4.1Å; A1037-R1039 PolarHBondContact O-N 3.03Å
1038G27.1Very low29.7Very low87 Ų87155.4 Ų155.490%0.89778%0.779SS**  trans-63.4133.7175.800000111.1
1039R27.5Very low29.5Very low227 Ų227154.5 Ų154.586%0.85779%0.789SS**  trans-109.9121.9170.1-179.5-132.4-70.4-90.61.1108.9A1037A1037-R1039 PolarHBondContact O-N 3.03Å
1040R31.8Very low29.3Very low243 Ų243148.8 Ų148.892%0.91779%0.788SS**  trans-144.597.2154.3-147.4-179.1-156.4-85.74.7110.4
1041E28.8Very low29.4Very low186 Ų186145.5 Ų145.587%0.86978%0.784SS**  trans-144.7144166.8-139.3-178.9133.100106.8
1042K36.4Very low28.5Very low169 Ų169147.6 Ų147.674%0.73578%0.784SS**  trans-146.5128.9-170.9175.3-178.8172.4-173.70109.1
1043D33.9Very low28.6Very low142 Ų142144.4 Ų144.476%0.75978%0.779SS**  trans48.1102.6163.5-50.7-24.5000117.4
1044G32.7Very low28.5Very low81 Ų81145.9 Ų145.984%0.83578%0.78SS**  trans-110.3-174.6178.600000114.9
1045K28Very low28.7Very low183 Ų183142 Ų14280%0.79677%0.77SS**  trans-159.9135.7167.8-160.3163.5175.4175.80114
1046E26.1Very low28.8Very low156 Ų156138.5 Ų138.573%0.72976%0.762SS**  trans30.6124.1157.2-61.5-179.288.200124.8
1047K27.2Very low28.7Very low192 Ų192139.7 Ų139.784%0.83575%0.753SS**  trans55.6160.6138.6-87.6-163.4168.7-179.60122.1
1048P39.9Very low29Very low104 Ų104144.6 Ų144.668%0.67577%0.765SS**  cis-142.5155.8-3438.1-20000117.4
1049A24Very low29Very low102 Ų102146.6 Ų146.684%0.84376%0.755SS**  trans69.1170.814400000122.8
1050A24.9Very low29Very low97 Ų97142.4 Ų142.480%0.80275%0.75SS**  trans69.9132.6-171.600000115
1051A27.9Very low28.8Very low91 Ų91136.7 Ų136.775%0.75274%0.738SS**  cis74.6140.649.800000112.1
1052E24.8Very low29Very low155 Ų155136 Ų13672%0.72474%0.736SS**  cis-162.6171.4-3.1-141.2-166.3117.800109.3
1053Q27.1Very low28.7Very low156 Ų156131.6 Ų131.673%0.72974%0.739SS**  trans59.8-168.9158.6-71.8174.241.200115.3
1054K24.7Very low28.4Very low148 Ų148129.8 Ų129.864%0.64374%0.744SS**  -154.4170-56.1170.9-173.2167.1-65.30105.1E1056K1054-E1056 VanDerWaalsContact NZ-CD 3.25Å; K1054-E1056 IonicContact NZ-OE1 2.64Å; K1054-E1056 PolarHBondContact NZ-OE1 2.93Å; K1054-E1056 IonicContact NZ-OE2 3Å; K1054-E1056 PolarHBondContact NZ-OE2 3.39Å
1055A29.8Very low28.6Very low72 Ų72131.2 Ų131.260%0.59574%0.742SS**  trans75.1158.3158.900000116
1056E27.3Very low29.5Very low126 Ų126127.7 Ų127.759%0.58974%0.737SS**  cis-149.4160.9-32.1-122.197.7-106.200106.9K1054K1054-E1056 VanDerWaalsContact NZ-CD 3.25Å; K1054-E1056 IonicContact NZ-OE1 2.64Å; K1054-E1056 PolarHBondContact NZ-OE1 2.93Å; K1054-E1056 IonicContact NZ-OE2 3Å; K1054-E1056 PolarHBondContact NZ-OE2 3.39Å
1057E28.4Very low29.5Very low153 Ų153128.8 Ų128.872%0.71574%0.742SS**  trans25.4137142.7-67158.7178.400122.7
1058E29.8Very low29.5Very low166 Ų166122.7 Ų122.778%0.77673%0.733SS**  trans68153.6131.7-69173.4-173.100119.4
1059D28.5Very low28.8Very low129 Ų129126.7 Ų126.769%0.6974%0.741SS**  cis-152178.3-15.3-137.3-27.4000112.5
1060D27.2Very low29Very low139 Ų139125 Ų12574%0.74373%0.733SS**  trans35.6147.6143.8-100.6-21.8000126.1
1061D27.1Very low29.6Very low124 Ų124129 Ų12966%0.66374%0.735SS**  trans67.3115.6142.7-142.4-135000125.4
1062M34.2Very low30.1Very low170 Ų170128.9 Ų128.984%0.83773%0.734SS**  trans28.690.2132.2-154.8179.3-23.300120.4
1063G28.2Very low30.9Very low77 Ų77129.9 Ų129.979%0.79474%0.738SS**  trans-117.7135.7166.300000113.3
1064A29.1Very low31.3Very low104 Ų104129.4 Ų129.486%0.8674%0.741SS**  trans-79.9145.8-171.200000115.3
1065S36.4Very low32.2Very low112 Ų112129 Ų12978%0.78375%0.746SS**  trans-58.7152.4148-56.60000109.6
1066P46.1Very low33Very low108 Ų108133 Ų13370%0.70176%0.757SS**  cis-157.2-173.542.244.7-23.7000119
1067H27.3Very low33.9Very low179 Ų179133.9 Ų133.983%0.82977%0.766SS**  trans73.7148.3151.1-81-70.3000122.2
1068G26.7Very low34.3Very low64 Ų64134 Ų13466%0.6677%0.771SS**  trans122.4113.8-176.100000110.2
1069F25.1Very low35.1Very low189 Ų189129.1 Ų129.183%0.82977%0.766SS**  cis59.7133.133.3-70.4-80.3000113.9
1070G27.9Very low35.4Very low65 Ų65126.6 Ų126.667%0.6777%0.771SS**  cis-120.6-178.9-10.200000111.2
1071E37.2Very low36.6Very low183 Ų183129.7 Ų129.786%0.85578%0.781SS**  cis72102.433-64.8-173.6148.900114.7
1072A38.9Very low37.6Very low87 Ų87132 Ų13272%0.71979%0.787SS**  trans-177.1147.816500000107.4
1073E42.2Very low38.5Very low176 Ų176128.3 Ų128.382%0.82277%0.771SS**  cis-159.6-155.3-12.3-117.2153.9-170.700109
1074D36Very low39.7Very low147 Ų147129.3 Ų129.379%0.78676%0.763SS**  trans71.196.2-175.9-46.7-58.1000114.6
1075D43.5Very low40.7Very low140 Ų140127 Ų12775%0.74975%0.745SS**  86.9145.972.4-75.6-53.4000114.3
1076D45.2Very low41.6Very low154 Ų154125.8 Ų125.882%0.82473%0.732SS**  cis-129.3156.812.6-63.7-94.2000115.6
1077D46.1Very low42Very low146 Ų146123.5 Ų123.578%0.78172%0.722SS**  trans-9.8145.4155.8-159.8-133.6000125.8
1078D37.8Very low43.4Very low154 Ų154121.3 Ų121.382%0.82471%0.714SS**  -167.1153.5119-172.5-155.1000110.1
1079G45.6Very low45.1Very low64 Ų64120.9 Ų120.966%0.6670%0.704SS**  trans-95.2144.8-165.700000117.1
1080G36.7Very low46.6Very low77 Ų77113.3 Ų113.379%0.79468%0.676SS**  trans-161.1110.9171.200000112.8
1081E50.7Low48.3Very low204 Ų204119 Ų11995%0.95368%0.678SS**  trans-87.4112.6-178.860.5-165118.300112.2
1082E48.9Very low50Low173 Ų173117.4 Ų117.481%0.80867%0.672SS**  trans-133.2144.3170.364.9172.9125.500113.1
1083D53.2Low51.1Low92 Ų92120 Ų12049%0.49267%0.669SS.*  trans-67.6125.8-160178.2-0.7000113.7A1085 V1086 A1087D1083-A1085 PolarHBondContact O-N 3.39Å; D1083-A1085 VanDerWaalsContact O-N 3.08Å; D1083-A1085 VanDerWaalsContact OD1-CB 3.27Å; D1083-A1085 WeakPolarHBondContact OD1-CB 3.45Å; D1083-A1085 PolarHBondContact OD1-N 3.37Å; D1083-V1086 HydrophobicContact CB-CG2 4.22Å; D1083-V1086 WeakPolarHBondContact O-CB 3.44Å; D1083-V1086 PolarHBondContact O-N 3.46Å; D1083-A1087 PolarHBondContact O-N 2.73Å
1084P52.2Low52.1Low97 Ų97119.8 Ų119.863%0.6366%0.661SS**Hα-helixtrans-59.1-20.117625-35.3000114.3A1087 M1088P1084-A1087 PolarHBondContact O-N 2.97Å; P1084-M1088 WeakPolarHBondContact O-CB 3.35Å; P1084-M1088 WeakPolarHBondContact O-CG 3.48Å; P1084-M1088 PolarHBondContact O-N 2.91Å
1085A51.5Low53.6Low57 Ų57122.2 Ų122.247%0.47166%0.659SS.*Hα-helixtrans-64.6-40.7170.800000112D1083 M1088 A1089D1083-A1085 PolarHBondContact O-N 3.39Å; D1083-A1085 VanDerWaalsContact O-N 3.08Å; D1083-A1085 VanDerWaalsContact OD1-CB 3.27Å; D1083-A1085 WeakPolarHBondContact OD1-CB 3.45Å; D1083-A1085 PolarHBondContact OD1-N 3.37Å; A1085-M1088 PolarHBondContact O-N 3.27Å; A1085-A1089 WeakPolarHBondContact O-CB 3.47Å; A1085-A1089 PolarHBondContact O-N 3.29Å
1086V53.9Low54.4Low85 Ų85118.2 Ų118.252%0.51565%0.645SS.*Hα-helixtrans-68.9-41.3176-177.70000110.2D1083 M1088 A1089 A1090D1083-V1086 HydrophobicContact CB-CG2 4.22Å; D1083-V1086 WeakPolarHBondContact O-CB 3.44Å; D1083-V1086 PolarHBondContact O-N 3.46Å; V1086-M1088 VanDerWaalsContact C-N 3.33Å; V1086-M1088 PolarHBondContact O-N 3.23Å; V1086-A1089 PolarHBondContact O-N 3.11Å; V1086-A1090 WeakPolarHBondContact O-CB 3.48Å; V1086-A1090 PolarHBondContact O-N 2.94Å
1087A55.2Low54.7Low60 Ų60112.9 Ų112.950%0.49662%0.623SS.*Hα-helixtrans-61.2-40.2173.600000112.4D1083 P1084 R1091D1083-A1087 PolarHBondContact O-N 2.73Å; P1084-A1087 PolarHBondContact O-N 2.97Å; A1087-R1091 WeakPolarHBondContact O-CB 3.25Å; A1087-R1091 PolarHBondContact O-N 3.14Å
1088M57.5Low55.2Low133 Ų133115.4 Ų115.466%0.65562%0.622SS**Hα-helixtrans-65.6-44172.7-83.3-67.8-165.100112.2P1084 A1085 V1086 R1091 M1092P1084-M1088 WeakPolarHBondContact O-CB 3.35Å; P1084-M1088 WeakPolarHBondContact O-CG 3.48Å; P1084-M1088 PolarHBondContact O-N 2.91Å; A1085-M1088 PolarHBondContact O-N 3.27Å; V1086-M1088 VanDerWaalsContact C-N 3.33Å; V1086-M1088 PolarHBondContact O-N 3.23Å; M1088-R1091 CarbonylContact O-C 3.59Å; M1088-R1091 PolarHBondContact O-N 3.38Å; M1088-M1092 WeakPolarHBondContact O-CB 3.41Å; M1088-M1092 PolarHBondContact O-N 2.89Å
1089A61.9Low56Low55 Ų55117.8 Ų117.846%0.45562%0.619SS.*Hα-helixtrans-58.9-52.4175.800000111.1A1085 V1086 R1091 M1092 E1093A1085-A1089 WeakPolarHBondContact O-CB 3.47Å; A1085-A1089 PolarHBondContact O-N 3.29Å; V1086-A1089 PolarHBondContact O-N 3.11Å; A1089-R1091 PolarHBondContact O-N 3.19Å; A1089-M1092 CarbonylContact O-C 3.59Å; A1089-M1092 PolarHBondContact O-N 2.84Å; A1089-M1092 VanDerWaalsContact O-N 3.07Å; A1089-E1093 WeakPolarHBondContact O-CB 3.12Å; A1089-E1093 PolarHBondContact O-N 3.2Å
1090A55.8Low56.2Low30 Ų30117.2 Ų117.225%0.24861%0.608CS.*Hα-helixtrans-64.4-20.9177.300000113.7V1086 R1094V1086-A1090 WeakPolarHBondContact O-CB 3.48Å; V1086-A1090 PolarHBondContact O-N 2.94Å; A1090-R1094 VanDerWaalsContact O-CB 3.31Å; A1090-R1094 WeakPolarHBondContact O-CB 3.37Å; A1090-R1094 VanDerWaalsContact O-CG 3.32Å; A1090-R1094 WeakPolarHBondContact O-CG 3.36Å; A1090-R1094 PolarHBondContact O-N 3.33Å; A1090-R1094 PolarHBondContact O-NE 3.47Å
1091R64.9Low56.8Low186 Ų186123.5 Ų123.570%0.70261%0.608SS**Hα-helixtrans-83.8-35.8172.5-168.7175.7-169.2131.6-2.7111.9A1087 M1088 A1089 R1095A1087-R1091 WeakPolarHBondContact O-CB 3.25Å; A1087-R1091 PolarHBondContact O-N 3.14Å; M1088-R1091 CarbonylContact O-C 3.59Å; M1088-R1091 PolarHBondContact O-N 3.38Å; A1089-R1091 PolarHBondContact O-N 3.19Å; R1091-R1095 PolarHBondContact O-N 3Å
1092M72.3Confident56.5Low149 Ų149124.4 Ų124.473%0.73460%0.603SS**Hα-helixtrans-71.5-40.8174.8-160.9169.9-162.400110.9M1088 A1089 R1095 A1096M1088-M1092 WeakPolarHBondContact O-CB 3.41Å; M1088-M1092 PolarHBondContact O-N 2.89Å; A1089-M1092 CarbonylContact O-C 3.59Å; A1089-M1092 PolarHBondContact O-N 2.84Å; A1089-M1092 VanDerWaalsContact O-N 3.07Å; M1092-R1095 CarbonylContact O-C 3.46Å; M1092-R1095 WeakPolarHBondContact O-CA 3.45Å; M1092-R1095 WeakPolarHBondContact O-CB 3.28Å; M1092-R1095 PolarHBondContact O-N 3.44Å; M1092-A1096 PolarHBondContact O-N 3.46Å
1093E62.9Low56.4Low140 Ų140120.4 Ų120.465%0.65460%0.599SS**Hα-helixtrans-65-44171.7-169-177.4178.200111.4A1089 R1095 A1096 A1097A1089-E1093 WeakPolarHBondContact O-CB 3.12Å; A1089-E1093 PolarHBondContact O-N 3.2Å; E1093-R1095 PolarHBondContact O-N 3.05Å; E1093-A1096 CarbonylContact O-C 3.55Å; E1093-A1096 WeakPolarHBondContact O-CA 3.39Å; E1093-A1096 WeakPolarHBondContact O-CB 3.43Å; E1093-A1096 PolarHBondContact O-N 3.45Å; E1093-A1097 WeakPolarHBondContact O-CB 3.49Å; E1093-A1097 PolarHBondContact O-N 2.95Å
1094R63.1Low56.1Low173 Ų173120.5 Ų120.565%0.65361%0.607SS**Hα-helixtrans-60.7-25.5169.6-83.3-179.8-85.8-165.1-7.2113A1090 R1098A1090-R1094 VanDerWaalsContact O-CB 3.31Å; A1090-R1094 WeakPolarHBondContact O-CB 3.37Å; A1090-R1094 VanDerWaalsContact O-CG 3.32Å; A1090-R1094 WeakPolarHBondContact O-CG 3.36Å; A1090-R1094 PolarHBondContact O-N 3.33Å; A1090-R1094 PolarHBondContact O-NE 3.47Å; R1094-R1098 WeakPolarHBondContact O-CB 3.47Å; R1094-R1098 WeakPolarHBondContact O-CG 3.16Å; R1094-R1098 PolarHBondContact O-N 2.96Å
1095R66.2Low55.5Low197 Ų197119 Ų11974%0.74360%0.603SS**Hα-helixtrans-76.7-39.2169.9-118176177.4174.9-1.2112.3R1091 M1092 E1093 R1098 R1099R1091-R1095 PolarHBondContact O-N 3Å; M1092-R1095 CarbonylContact O-C 3.46Å; M1092-R1095 WeakPolarHBondContact O-CA 3.45Å; M1092-R1095 WeakPolarHBondContact O-CB 3.28Å; M1092-R1095 PolarHBondContact O-N 3.44Å; E1093-R1095 PolarHBondContact O-N 3.05Å; R1095-R1098 PolarHBondContact O-N 2.88Å; R1095-R1099 PolarHBondContact O-N 3.2Å
1096A60.1Low55Low56 Ų56121.4 Ų121.446%0.46361%0.614SS.*Hα-helixtrans-66.2-48175.400000111.2M1092 E1093 R1098 R1099 A1100M1092-A1096 PolarHBondContact O-N 3.46Å; E1093-A1096 CarbonylContact O-C 3.55Å; E1093-A1096 WeakPolarHBondContact O-CA 3.39Å; E1093-A1096 WeakPolarHBondContact O-CB 3.43Å; E1093-A1096 PolarHBondContact O-N 3.45Å; A1096-R1098 VanDerWaalsContact C-N 3.28Å; A1096-R1098 PolarHBondContact O-N 3.36Å; A1096-R1099 CarbonylContact O-C 3.57Å; A1096-R1099 WeakPolarHBondContact O-CA 3.4Å; A1096-R1099 WeakPolarHBondContact O-CB 3.41Å; A1096-R1099 PolarHBondContact O-N 2.92Å; A1096-A1100 PolarHBondContact O-N 3.07Å
1097A53.1Low54.1Low43 Ų43121.9 Ų121.936%0.35563%0.626SS.*Hα-helixtrans-60.1-34.5173.100000112.6E1093 R1101E1093-A1097 WeakPolarHBondContact O-CB 3.49Å; E1093-A1097 PolarHBondContact O-N 2.95Å; A1097-R1101 WeakPolarHBondContact O-CB 3.48Å; A1097-R1101 WeakPolarHBondContact O-CG 3.44Å; A1097-R1101 PolarHBondContact O-N 2.98Å
1098R56.2Low53.5Low199 Ų199125.2 Ų125.275%0.75164%0.64SS**Hα-helixtrans-72.7-24.7171.1-78.3177.6-178.8-145.72.6113.7R1094 R1095 A1096 R1102R1094-R1098 WeakPolarHBondContact O-CB 3.47Å; R1094-R1098 WeakPolarHBondContact O-CG 3.16Å; R1094-R1098 PolarHBondContact O-N 2.96Å; R1095-R1098 PolarHBondContact O-N 2.88Å; A1096-R1098 VanDerWaalsContact C-N 3.28Å; A1096-R1098 PolarHBondContact O-N 3.36Å; R1098-R1102 WeakPolarHBondContact O-CB 3.4Å
1099R53.9Low52.5Low204 Ų204124.8 Ų124.877%0.7765%0.645SS**Hα-helixtrans-76.9-44.6167.7-80.2-175.5168.4-174.4-3.6111.4R1095 A1096 R1102 A1103R1095-R1099 PolarHBondContact O-N 3.2Å; A1096-R1099 CarbonylContact O-C 3.57Å; A1096-R1099 WeakPolarHBondContact O-CA 3.4Å; A1096-R1099 WeakPolarHBondContact O-CB 3.41Å; A1096-R1099 PolarHBondContact O-N 2.92Å; R1099-R1102 CarbonylContact O-C 3.52Å; R1099-R1102 WeakPolarHBondContact O-CA 3.27Å; R1099-R1102 WeakPolarHBondContact O-CB 3.22Å; R1099-R1102 PolarHBondContact O-N 2.86Å; R1099-A1103 PolarHBondContact O-N 3.18Å
1100A49.3Very low51.5Low52 Ų52126.7 Ų126.743%0.4366%0.661SS.*Hα-helixtrans-59.2-50.3176.800000111.6A1096 R1102 A1103 S1104A1096-A1100 PolarHBondContact O-N 3.07Å; A1100-R1102 PolarHBondContact O-N 3.45Å; A1100-A1103 CarbonylContact O-C 3.4Å; A1100-A1103 WeakPolarHBondContact O-CA 3.33Å; A1100-A1103 PolarHBondContact O-N 3.13Å; A1100-S1104 PolarHBondContact O-N 3.24Å; A1100-S1104 PolarHBondContact O-OG 3.48Å; A1100-S1104 VanDerWaalsContact O-OG 3.06Å
1101R49.6Very low50.5Low208 Ų208129.7 Ų129.779%0.78568%0.68SS**THydrogen-bonded Turntrans-64.7-4.6173-68.5179.3-174.7-110.84114.5A1097A1097-R1101 WeakPolarHBondContact O-CB 3.48Å; A1097-R1101 WeakPolarHBondContact O-CG 3.44Å; A1097-R1101 PolarHBondContact O-N 2.98Å
1102R44.5Very low49.1Very low224 Ų224126.1 Ų126.185%0.84568%0.679SS**THydrogen-bonded Turntrans-107.9-1.2171.1-154.9174.2-168.1-107.84.1112.9R1098 R1099 A1100R1098-R1102 WeakPolarHBondContact O-CB 3.4Å; R1099-R1102 CarbonylContact O-C 3.52Å; R1099-R1102 WeakPolarHBondContact O-CA 3.27Å; R1099-R1102 WeakPolarHBondContact O-CB 3.22Å; R1099-R1102 PolarHBondContact O-N 2.86Å; A1100-R1102 PolarHBondContact O-N 3.45Å
1103A47.1Very low47.6Very low89 Ų89125.1 Ų125.174%0.73668%0.684SS**THydrogen-bonded Turntrans-111.3-2117200000112.5R1099 A1100R1099-A1103 PolarHBondContact O-N 3.18Å; A1100-A1103 CarbonylContact O-C 3.4Å; A1100-A1103 WeakPolarHBondContact O-CA 3.33Å; A1100-A1103 PolarHBondContact O-N 3.13Å
1104S47.6Very low46.2Very low94 Ų94123.2 Ų123.266%0.65768%0.682SS**SBendtrans-118.333.817559.70000113.7A1100A1100-S1104 PolarHBondContact O-N 3.24Å; A1100-S1104 PolarHBondContact O-OG 3.48Å; A1100-S1104 VanDerWaalsContact O-OG 3.06Å
1105A38.7Very low45.5Very low65 Ų65122 Ų12254%0.53769%0.694SS.*SBendtrans-77.4137151.300000107.7A1107A1105-A1107 PolarHBondContact O-N 3.44Å
1106P42.1Very low44.7Very low108 Ų108117.2 Ų117.270%0.70169%0.686SS**  trans-58.8135.6168.827-33.4000108.1V1108P1106-V1108 PolarHBondContact O-N 3.47Å
1107A33.7Very low44.2Very low94 Ų94124.1 Ų124.178%0.77771%0.707SS**  trans-69.878.7171.200000108.8A1105 T1109A1105-A1107 PolarHBondContact O-N 3.44Å; A1107-T1109 VanDerWaalsContact C-N 3.27Å; A1107-T1109 PolarHBondContact O-N 3.31Å
1108V43.2Very low45.2Very low131 Ų131130.2 Ų130.279%0.79472%0.72SS**  trans-56.6103.6154.4-81.70000105.7P1106 A1110P1106-V1108 PolarHBondContact O-N 3.47Å; V1108-A1110 PolarHBondContact O-N 3.21Å
1109T36.8Very low46.4Very low123 Ų123122.9 Ų122.976%0.75570%0.698SS**  trans-64.785.9173.236.40000107.5A1107 S1111A1107-T1109 VanDerWaalsContact C-N 3.27Å; A1107-T1109 PolarHBondContact O-N 3.31Å; T1109-S1111 PolarHBondContact O-N 3.02Å
1110A41.6Very low48.2Very low95 Ų95115.4 Ų115.479%0.78568%0.68SS**  trans-57.881.3139.800000106.2V1108 T1112V1108-A1110 PolarHBondContact O-N 3.21Å; A1110-T1112 PolarHBondContact O-N 3.36Å
1111S34.3Very low50.2Low94 Ų94113.9 Ų113.966%0.65767%0.666SS**  trans-57.598.716234.40000106.1T1109 P1113T1109-S1111 PolarHBondContact O-N 3.02Å; S1111-P1113 WeakPolarHBondContact O-CD 3.48Å
1112T34.6Very low52.4Low110 Ų110105.9 Ų105.968%0.67565%0.645SS**  trans-35123133.240.90000106.8A1110 T1114A1110-T1112 PolarHBondContact O-N 3.36Å; T1112-T1114 PolarHBondContact O-N 3.27Å
1113P41.7Very low54.8Low129 Ų129101.8 Ų101.884%0.83864%0.635SS**  trans-65.290.717126.5-32.2000106.8S1111 T1115S1111-P1113 WeakPolarHBondContact O-CD 3.48Å; P1113-T1115 PolarHBondContact O-N 3.39Å
1114T33.5Very low57.1Low99 Ų9998 Ų9861%0.60760%0.602SS**  trans-49.4134167.6-45.40000106.3T1112 T1116T1112-T1114 PolarHBondContact O-N 3.27Å; T1114-T1116 WeakPolarHBondContact CG2-OG1 3.48Å; T1114-T1116 PolarHBondContact O-N 3.19Å
1115T48.5Very low59.5Low148 Ų14895.6 Ų95.691%0.90859%0.585SS**SBendtrans-71.774.8-177.5170.20000110.1P1113P1113-T1115 PolarHBondContact O-N 3.39Å
1116T47.8Very low62.3Low96 Ų9693.9 Ų93.959%0.58957%0.568SS**SBendtrans-147.5100.9-167.9-51.90000107.6T1114T1114-T1116 WeakPolarHBondContact CG2-OG1 3.48Å; T1114-T1116 PolarHBondContact O-N 3.19Å
1117F50.9Low64.9Low202 Ų20294.5 Ų94.589%0.88656%0.561SS**  trans37.381.2170.7-77.2-92.5000115.9
1118R73.6Confident67.9Low171 Ų17193.1 Ų93.165%0.64554%0.539SS*.PPolyproline II helixtrans-58.8127.7151.9-158.3171.2-166.5-88.7-9.8106.5
1119P82.5Confident70.5Confident44 Ų4486.9 Ų86.929%0.28650%0.501SS..PPolyproline II helixtrans-57.7150.8-174.420.5-31.6000111.1Q1123 W1124P1119-Q1123 HydrophobicContact CB-CB 4.17Å; P1119-W1124 PolarHBondContact O-NE1 3.23Å
1120A89.9Confident73.4Confident48 Ų4881.3 Ų81.340%0.39747%0.467SS..PPolyproline II helixtrans-60.2148.7178.700000109.8A1122 Q1123 W1124A1120-A1122 PolarHBondContact O-N 2.89Å; A1120-Q1123 HydrophobicContact CB-CG 4.36Å; A1120-Q1123 VanDerWaalsContact N-OE1 3.16Å; A1120-Q1123 WeakPolarHBondContact O-CB 3.16Å; A1120-Q1123 PolarHBondContact O-N 3.18Å; A1120-W1124 VanDerWaalsContact O-CD1 3.25Å; A1120-W1124 PolarHBondContact O-NE1 3.39Å
1121P92.6Very high76Confident19 Ų1979.3 Ų79.312%0.12345%0.45CS..G310 helixtrans-55.9-24.5-177.6-28.637000115Q1123 W1124 G1153 L1157 L1185P1121-Q1123 VanDerWaalsContact C-N 3.28Å; P1121-Q1123 PolarHBondContact O-N 2.99Å; P1121-W1124 HydrophobicContact CB-CZ2 4.21Å; P1121-W1124 HydrophobicContact CG-CZ2 4.03Å; P1121-G1153 CarbonylContact O-C 3.31Å; P1121-G1153 WeakPolarHBondContact O-CA 3.37Å; P1121-L1157 HydrophobicContact CB-CD1 4.14Å; P1121-L1157 HydrophobicContact CB-CD2 4.04Å; P1121-L1157 HydrophobicContact CB-CG 4.49Å; P1121-L1185 HydrophobicContact CB-CB 4.22Å; P1121-L1185 HydrophobicContact CG-CB 4.21Å; P1121-L1185 HydrophobicContact CG-CD2 4.13Å
1122A94.6Very high78.9Confident41 Ų4175.9 Ų75.934%0.33942%0.424SS..G310 helixtrans-81.13174.500000114.9A1120 Q1154 L1157A1120-A1122 PolarHBondContact O-N 2.89Å; A1122-Q1154 HydrophobicContact CB-CG 4.49Å; A1122-Q1154 WeakPolarHBondContact O-CG 3.48Å; A1122-Q1154 PolarHBondContact O-NE2 2.89Å; A1122-L1157 HydrophobicContact CB-CD1 3.8Å
1123Q94.9Very high81.9Confident138 Ų13870.7 Ų70.765%0.64539%0.392SS*.G310 helixtrans-117.30.4178.4-63.3176.8-50.200112.6P1119 A1120 P1121P1119-Q1123 HydrophobicContact CB-CB 4.17Å; A1120-Q1123 HydrophobicContact CB-CG 4.36Å; A1120-Q1123 VanDerWaalsContact N-OE1 3.16Å; A1120-Q1123 WeakPolarHBondContact O-CB 3.16Å; A1120-Q1123 PolarHBondContact O-N 3.18Å; P1121-Q1123 VanDerWaalsContact C-N 3.28Å; P1121-Q1123 PolarHBondContact O-N 2.99Å
1124W96.4Very high84.5Confident8 Ų868.7 Ų68.73%0.0337%0.371CS..  trans-69.9137-175.8-68.1-1.9000112.1P1119 A1120 P1121 E1128 V1129 F1132 G1153 L1156 L1185P1119-W1124 PolarHBondContact O-NE1 3.23Å; A1120-W1124 VanDerWaalsContact O-CD1 3.25Å; A1120-W1124 PolarHBondContact O-NE1 3.39Å; P1121-W1124 HydrophobicContact CB-CZ2 4.21Å; P1121-W1124 HydrophobicContact CG-CZ2 4.03Å; W1124-E1128 VanDerWaalsContact CA-OE2 3.31Å; W1124-E1128 WeakPolarHBondContact CA-OE2 3.32Å; W1124-E1128 HydrophobicContact CB-CB 3.93Å; W1124-E1128 HydrophobicContact CG-CB 4.27Å; W1124-V1129 HydrophobicContact CB-CG2 4.09Å; W1124-V1129 HydrophobicContact CE3-CG2 4.38Å; W1124-F1132 HydrophobicContact CE3-CB 4.46Å; W1124-F1132 HydrophobicContact CH2-CD2 4.08Å; W1124-F1132 HydrophobicContact CH2-CE2 4.38Å; W1124-F1132 HydrophobicContact CH2-CG 4.3Å; W1124-F1132 HydrophobicContact CZ3-CB 3.92Å; W1124-F1132 AromaticContact CZ3-CD1 3.97Å; W1124-F1132 HydrophobicContact CZ3-CD1 3.97Å; W1124-F1132 AromaticContact CZ3-CD2 3.93Å; W1124-F1132 HydrophobicContact CZ3-CD2 3.93Å; W1124-F1132 HydrophobicContact CZ3-CE1 4.46Å; W1124-F1132 HydrophobicContact CZ3-CE2 4.41Å; W1124-F1132 AromaticContact CZ3-CG 3.67Å; W1124-F1132 HydrophobicContact CZ3-CG 3.67Å; W1124-G1153 PolarHBondContact O-N 3.21Å; W1124-L1156 HydrophobicContact CE3-CD2 4.18Å; W1124-L1156 HydrophobicContact CZ3-CD2 4.21Å; W1124-L1185 HydrophobicContact CH2-CD1 3.65Å; W1124-L1185 HydrophobicContact CH2-CD2 3.58Å; W1124-L1185 HydrophobicContact CH2-CG 4.29Å; W1124-L1185 HydrophobicContact CZ2-CD2 4.25Å; W1124-L1185 HydrophobicContact CZ3-CD1 3.58Å; W1124-L1185 HydrophobicContact CZ3-CD2 4.38Å
1125S97.1Very high87.5Confident45 Ų4569 Ų6932%0.31537%0.373SS..  trans-71167.717190.60000112.1E1127 E1128 V1129S1125-E1127 WeakPolarHBondContact CB-OE2 3.47Å; S1125-E1127 PolarHBondContact O-N 3.27Å; S1125-E1127 PolarHBondContact OG-N 3.15Å; S1125-E1127 PolarHBondContact OG-OE2 3.45Å; S1125-E1128 PolarHBondContact N-OE2 3.16Å; S1125-E1128 VanDerWaalsContact N-OE2 3.08Å; S1125-E1128 PolarHBondContact O-N 2.89Å; S1125-E1128 VanDerWaalsContact O-N 3.07Å; S1125-E1128 PolarHBondContact OG-N 3.38Å; S1125-V1129 WeakPolarHBondContact O-CG2 3.37Å; S1125-V1129 PolarHBondContact O-N 2.91Å
1126V97.5Very high89.7Confident28 Ų2862.4 Ų62.417%0.1733%0.332CS..Hα-helixtrans-57.9-35.5174.2-174.60000111.1T1130 R1147 D1152V1126-T1130 WeakPolarHBondContact O-CB 3.37Å; V1126-T1130 PolarHBondContact O-N 2.82Å; V1126-T1130 PolarHBondContact O-OG1 3.11Å; V1126-R1147 HydrophobicContact CG1-CB 4.46Å; V1126-R1147 HydrophobicContact CG1-CG 4.08Å; V1126-D1152 HydrophobicContact CG2-CB 4.36Å
1127E97.4Very high91.9Very high121 Ų12162.2 Ų62.257%0.56533%0.332SS*.Hα-helixtrans-66.8-41.3174.9-6164.8-140.500111.7S1125 T1130 A1131S1125-E1127 WeakPolarHBondContact CB-OE2 3.47Å; S1125-E1127 PolarHBondContact O-N 3.27Å; S1125-E1127 PolarHBondContact OG-N 3.15Å; S1125-E1127 PolarHBondContact OG-OE2 3.45Å; E1127-T1130 PolarHBondContact O-N 3.26Å; E1127-A1131 VanDerWaalsContact O-CB 3.27Å; E1127-A1131 WeakPolarHBondContact O-CB 3.34Å; E1127-A1131 PolarHBondContact O-N 3.09Å
1128E96.7Very high93.8Very high66 Ų6655.1 Ų55.131%0.30832%0.317SS..Hα-helixtrans-69.4-39.7178-68.8-172.6110.900112W1124 S1125 A1131 F1132W1124-E1128 VanDerWaalsContact CA-OE2 3.31Å; W1124-E1128 WeakPolarHBondContact CA-OE2 3.32Å; W1124-E1128 HydrophobicContact CB-CB 3.93Å; W1124-E1128 HydrophobicContact CG-CB 4.27Å; S1125-E1128 PolarHBondContact N-OE2 3.16Å; S1125-E1128 VanDerWaalsContact N-OE2 3.08Å; S1125-E1128 PolarHBondContact O-N 2.89Å; S1125-E1128 VanDerWaalsContact O-N 3.07Å; S1125-E1128 PolarHBondContact OG-N 3.38Å; E1128-A1131 PolarHBondContact O-N 2.81Å; E1128-F1132 VanDerWaalsContact O-CB 3.32Å; E1128-F1132 WeakPolarHBondContact O-CB 3.49Å; E1128-F1132 PolarHBondContact O-N 3.27Å
1129V97.4Very high94.8Very high0 Ų047 Ų470%029%0.286CS..Hα-helixtrans-61.6-47169.6170.90000110.7W1124 S1125 A1131 F1132 I1133 F1146 I1151 D1152 L1156W1124-V1129 HydrophobicContact CB-CG2 4.09Å; W1124-V1129 HydrophobicContact CE3-CG2 4.38Å; S1125-V1129 WeakPolarHBondContact O-CG2 3.37Å; S1125-V1129 PolarHBondContact O-N 2.91Å; V1129-A1131 PolarHBondContact O-N 3.05Å; V1129-F1132 WeakPolarHBondContact O-CB 3.39Å; V1129-F1132 PolarHBondContact O-N 2.76Å; V1129-I1133 HydrophobicContact CG1-CG1 4.43Å; V1129-I1133 WeakPolarHBondContact O-CG1 3.43Å; V1129-I1133 PolarHBondContact O-N 3.22Å; V1129-F1146 HydrophobicContact CG1-CB 4.33Å; V1129-F1146 HydrophobicContact CG1-CD1 3.93Å; V1129-F1146 HydrophobicContact CG1-CG 4.49Å; V1129-I1151 WeakPolarHBondContact CB-O 3.31Å; V1129-I1151 HydrophobicContact CG1-CG2 4.43Å; V1129-I1151 WeakPolarHBondContact CG1-O 3.48Å; V1129-D1152 VanDerWaalsContact CG2-C 3.49Å; V1129-L1156 HydrophobicContact CG1-CB 4.36Å; V1129-L1156 HydrophobicContact CG1-CD1 4.15Å; V1129-L1156 HydrophobicContact CG1-CD2 4.09Å; V1129-L1156 HydrophobicContact CG1-CG 4.42Å; V1129-L1156 HydrophobicContact CG2-CB 4.22Å; V1129-L1156 HydrophobicContact CG2-CD2 3.93Å
1130T97.3Very high95.3Very high5 Ų546.3 Ų46.33%0.03129%0.287CS..Hα-helixtrans-61-44.4178.4-61.10000111.3V1126 E1127 I1133 H1134 A1143 R1147V1126-T1130 WeakPolarHBondContact O-CB 3.37Å; V1126-T1130 PolarHBondContact O-N 2.82Å; V1126-T1130 PolarHBondContact O-OG1 3.11Å; E1127-T1130 PolarHBondContact O-N 3.26Å; T1130-I1133 PolarHBondContact O-N 3.23Å; T1130-H1134 PolarHBondContact O-CD2 3.18Å; T1130-H1134 PolarHBondContact O-N 2.88Å; T1130-A1143 HydrophobicContact CG2-CB 4.27Å; T1130-R1147 HydrophobicContact CG2-CB 4.18Å; T1130-R1147 WeakPolarHBondContact OG1-CB 3.43Å
1131A96.7Very high95.6Very high54 Ų5449.2 Ų49.245%0.44630%0.295SS..Hα-helixtrans-62.1-43.1174.900000111.5E1127 E1128 V1129 H1134 T1135E1127-A1131 VanDerWaalsContact O-CB 3.27Å; E1127-A1131 WeakPolarHBondContact O-CB 3.34Å; E1127-A1131 PolarHBondContact O-N 3.09Å; E1128-A1131 PolarHBondContact O-N 2.81Å; V1129-A1131 PolarHBondContact O-N 3.05Å; A1131-H1134 WeakPolarHBondContact O-CB 3.46Å; A1131-H1134 PolarHBondContact O-N 3.02Å; A1131-T1135 WeakPolarHBondContact O-CG2 3.41Å; A1131-T1135 PolarHBondContact O-N 3.47Å
1132F96Very high95.7Very high22 Ų2249.2 Ų49.210%0.09630%0.295CS..Hα-helixtrans-57.9-51.3174172.4-108.7000111.8W1124 E1128 V1129 H1134 T1135 L1136 L1156 H1181 L1185W1124-F1132 HydrophobicContact CE3-CB 4.46Å; W1124-F1132 HydrophobicContact CH2-CD2 4.08Å; W1124-F1132 HydrophobicContact CH2-CE2 4.38Å; W1124-F1132 HydrophobicContact CH2-CG 4.3Å; W1124-F1132 HydrophobicContact CZ3-CB 3.92Å; W1124-F1132 AromaticContact CZ3-CD1 3.97Å; W1124-F1132 HydrophobicContact CZ3-CD1 3.97Å; W1124-F1132 AromaticContact CZ3-CD2 3.93Å; W1124-F1132 HydrophobicContact CZ3-CD2 3.93Å; W1124-F1132 HydrophobicContact CZ3-CE1 4.46Å; W1124-F1132 HydrophobicContact CZ3-CE2 4.41Å; W1124-F1132 AromaticContact CZ3-CG 3.67Å; W1124-F1132 HydrophobicContact CZ3-CG 3.67Å; E1128-F1132 VanDerWaalsContact O-CB 3.32Å; E1128-F1132 WeakPolarHBondContact O-CB 3.49Å; E1128-F1132 PolarHBondContact O-N 3.27Å; V1129-F1132 WeakPolarHBondContact O-CB 3.39Å; V1129-F1132 PolarHBondContact O-N 2.76Å; F1132-H1134 VanDerWaalsContact C-N 3.27Å; F1132-H1134 PolarHBondContact O-N 3.35Å; F1132-T1135 PolarHBondContact O-N 3.47Å; F1132-T1135 PolarHBondContact O-OG1 3.43Å; F1132-L1136 HydrophobicContact CE1-CD1 4.12Å; F1132-L1136 HydrophobicContact CE2-CD2 4.11Å; F1132-L1136 HydrophobicContact CZ-CD1 4.36Å; F1132-L1136 HydrophobicContact CZ-CD2 4.09Å; F1132-L1136 PolarHBondContact O-N 3.42Å; F1132-L1156 HydrophobicContact CD1-CD2 4.15Å; F1132-L1156 HydrophobicContact CE1-CD2 4.33Å; F1132-H1181 HydrophobicContact CZ-CB 4.02Å; F1132-L1185 HydrophobicContact CD1-CD1 4.35Å; F1132-L1185 HydrophobicContact CE1-CD1 3.64Å; F1132-L1185 HydrophobicContact CE2-CD1 4.13Å; F1132-L1185 HydrophobicContact CE2-CD2 4.42Å; F1132-L1185 HydrophobicContact CZ-CD1 3.5Å; F1132-L1185 HydrophobicContact CZ-CD2 4.41Å; F1132-L1185 HydrophobicContact CZ-CG 4.05Å
1133I97.1Very high95.8Very high0 Ų047.2 Ų47.20%028%0.279CS..Hα-helixtrans-63.1-33.6178.2-56.8-63.1000111.4V1129 T1130 T1135 L1136 C1139 V1142 A1143 F1146 L1156 I1178V1129-I1133 HydrophobicContact CG1-CG1 4.43Å; V1129-I1133 WeakPolarHBondContact O-CG1 3.43Å; V1129-I1133 PolarHBondContact O-N 3.22Å; T1130-I1133 PolarHBondContact O-N 3.23Å; I1133-T1135 VanDerWaalsContact C-N 3.34Å; I1133-T1135 PolarHBondContact O-N 3.23Å; I1133-L1136 HydrophobicContact CD1-CD1 3.98Å; I1133-L1136 PolarHBondContact O-N 2.72Å; I1133-C1139 HydrophobicContact CG2-CB 4.18Å; I1133-V1142 HydrophobicContact CG2-CG2 4.33Å; I1133-A1143 HydrophobicContact CB-CB 3.88Å; I1133-A1143 HydrophobicContact CG2-CB 3.78Å; I1133-F1146 HydrophobicContact CB-CD2 4.49Å; I1133-F1146 HydrophobicContact CD1-CD1 4.39Å; I1133-F1146 HydrophobicContact CD1-CE1 3.97Å; I1133-F1146 HydrophobicContact CD1-CE2 4.31Å; I1133-F1146 HydrophobicContact CD1-CZ 3.96Å; I1133-F1146 HydrophobicContact CG1-CD1 3.99Å; I1133-F1146 HydrophobicContact CG1-CD2 4.02Å; I1133-F1146 HydrophobicContact CG1-CE1 4.07Å; I1133-F1146 HydrophobicContact CG1-CE2 4.12Å; I1133-F1146 HydrophobicContact CG1-CG 4Å; I1133-F1146 HydrophobicContact CG1-CZ 4.16Å; I1133-F1146 HydrophobicContact CG2-CD2 4.14Å; I1133-F1146 HydrophobicContact CG2-CE2 4.05Å; I1133-L1156 HydrophobicContact CD1-CD1 4.35Å; I1133-I1178 HydrophobicContact CD1-CD1 4.42Å; I1133-I1178 HydrophobicContact CD1-CG1 4.16Å; I1133-I1178 HydrophobicContact CD1-CG2 3.76Å; I1133-I1178 HydrophobicContact CG2-CD1 4.2Å
1134H96.1Very high95.8Very high88 Ų8844.5 Ų44.541%0.40727%0.266SS..Hα-helixtrans-62.8-34.2170.7-83-60.3000113.5T1130 A1131 F1132 L1136 G1140 A1143T1130-H1134 PolarHBondContact O-CD2 3.18Å; T1130-H1134 PolarHBondContact O-N 2.88Å; A1131-H1134 WeakPolarHBondContact O-CB 3.46Å; A1131-H1134 PolarHBondContact O-N 3.02Å; F1132-H1134 VanDerWaalsContact C-N 3.27Å; F1132-H1134 PolarHBondContact O-N 3.35Å; H1134-L1136 VanDerWaalsContact C-N 3.26Å; H1134-L1136 PolarHBondContact O-N 3.11Å; H1134-G1140 PolarHBondContact CE1-O 3.21Å; H1134-G1140 PolarHBondContact ND1-O 3.45Å; H1134-A1143 HydrophobicContact CB-CB 4.39Å
1135T95.8Very high95.8Very high106 Ų10645.3 Ų45.365%0.6527%0.274SS*.Hα-helixtrans-70.9-17.9174.465.40000114.1A1131 F1132 I1133A1131-T1135 WeakPolarHBondContact O-CG2 3.41Å; A1131-T1135 PolarHBondContact O-N 3.47Å; F1132-T1135 PolarHBondContact O-N 3.47Å; F1132-T1135 PolarHBondContact O-OG1 3.43Å; I1133-T1135 VanDerWaalsContact C-N 3.34Å; I1133-T1135 PolarHBondContact O-N 3.23Å
1136L95.6Very high95.8Very high9 Ų943.1 Ų43.15%0.04726%0.259CS..SBendtrans-75.7130.3-175.8-59.7-173.2000111.2F1132 I1133 H1134 G1138 C1139 I1178 H1181F1132-L1136 HydrophobicContact CE1-CD1 4.12Å; F1132-L1136 HydrophobicContact CE2-CD2 4.11Å; F1132-L1136 HydrophobicContact CZ-CD1 4.36Å; F1132-L1136 HydrophobicContact CZ-CD2 4.09Å; F1132-L1136 PolarHBondContact O-N 3.42Å; I1133-L1136 HydrophobicContact CD1-CD1 3.98Å; I1133-L1136 PolarHBondContact O-N 2.72Å; H1134-L1136 VanDerWaalsContact C-N 3.26Å; H1134-L1136 PolarHBondContact O-N 3.11Å; L1136-G1138 PolarHBondContact O-N 2.85Å; L1136-C1139 HydrophobicContact CB-CB 3.95Å; L1136-C1139 PolarHBondContact O-N 3.3Å; L1136-I1178 HydrophobicContact CD1-CG1 4.04Å; L1136-H1181 HydrophobicContact CD1-CB 3.98Å; L1136-H1181 HydrophobicContact CD2-CB 4.21Å
1137P93.6Very high95.7Very high91 Ų9146.4 Ų46.459%0.59127%0.269SS*.THydrogen-bonded Turntrans-67.8102.9-166.525.4-34.8000112.1K1177P1137-K1177 PolarHBondContact O-NZ 3.47Å
1138G91.1Very high95.7Very high54 Ų5447.3 Ų47.356%0.55728%0.277SS*.THydrogen-bonded Turntrans80.832.2-176.700000114.4L1136L1136-G1138 PolarHBondContact O-N 2.85Å
1139C94.5Very high95.6Very high0 Ų048.5 Ų48.50%028%0.282CS..THydrogen-bonded Turntrans-122.7-0.3167.1-56.30000113.2I1133 L1136 D1141 V1142 A1143 I1178I1133-C1139 HydrophobicContact CG2-CB 4.18Å; L1136-C1139 HydrophobicContact CB-CB 3.95Å; L1136-C1139 PolarHBondContact O-N 3.3Å; C1139-D1141 PolarHBondContact O-N 2.95Å; C1139-D1141 VanDerWaalsContact O-N 3.12Å; C1139-V1142 HydrophobicContact CB-CG2 4.06Å; C1139-V1142 WeakPolarHBondContact O-CG2 3.39Å; C1139-V1142 PolarHBondContact O-N 3.3Å; C1139-A1143 PolarHBondContact O-N 2.89Å; C1139-I1178 HydrophobicContact CB-CD1 4.19Å; C1139-I1178 HydrophobicContact CB-CG1 4.28Å
1140G93.9Very high95.6Very high29 Ų2956.3 Ų56.330%0.29932%0.318SS..THydrogen-bonded Turntrans-65.9-10179.600000115.3H1134H1134-G1140 PolarHBondContact CE1-O 3.21Å; H1134-G1140 PolarHBondContact ND1-O 3.45Å
1141D94.4Very high95.6Very high109 Ų10956.4 Ų56.458%0.58332%0.319SS*.THydrogen-bonded Turntrans-82.6-15.1169.365.3-40.6000113.4C1139C1139-D1141 PolarHBondContact O-N 2.95Å; C1139-D1141 VanDerWaalsContact O-N 3.12Å
1142V95.6Very high95.6Very high19 Ų1956.3 Ų56.312%0.11531%0.311CS..THydrogen-bonded Turntrans-109.1-9.6177.1-590000113.9I1133 C1139 E1144 A1145 F1146 I1170 P1174 I1178I1133-V1142 HydrophobicContact CG2-CG2 4.33Å; C1139-V1142 HydrophobicContact CB-CG2 4.06Å; C1139-V1142 WeakPolarHBondContact O-CG2 3.39Å; C1139-V1142 PolarHBondContact O-N 3.3Å; V1142-E1144 PolarHBondContact O-N 2.78Å; V1142-A1145 VanDerWaalsContact O-CB 3.27Å; V1142-A1145 WeakPolarHBondContact O-CB 3.45Å; V1142-A1145 PolarHBondContact O-N 3.38Å; V1142-F1146 WeakPolarHBondContact O-CD2 3.49Å; V1142-I1170 HydrophobicContact CB-CD1 4.11Å; V1142-I1170 HydrophobicContact CB-CG1 4.03Å; V1142-I1170 HydrophobicContact CG1-CG1 4.07Å; V1142-I1170 HydrophobicContact CG1-CG2 4.21Å; V1142-I1170 HydrophobicContact CG2-CD1 4.25Å; V1142-I1170 HydrophobicContact CG2-CG1 4.5Å; V1142-I1170 HydrophobicContact CG2-CG2 4.38Å; V1142-P1174 HydrophobicContact CG2-CB 4.44Å; V1142-I1178 HydrophobicContact CG2-CD1 3.79Å
1143A96.3Very high95.6Very high0 Ų055.3 Ų55.30%031%0.306CS..Hα-helixtrans-54.5-36.6173.900000113.1T1130 I1133 H1134 C1139 A1145 F1146 R1147T1130-A1143 HydrophobicContact CG2-CB 4.27Å; I1133-A1143 HydrophobicContact CB-CB 3.88Å; I1133-A1143 HydrophobicContact CG2-CB 3.78Å; H1134-A1143 HydrophobicContact CB-CB 4.39Å; C1139-A1143 PolarHBondContact O-N 2.89Å; A1143-A1145 PolarHBondContact O-N 3.13Å; A1143-F1146 WeakPolarHBondContact O-CB 3.4Å; A1143-F1146 PolarHBondContact O-N 3.42Å; A1143-F1146 VanDerWaalsContact O-N 3.1Å; A1143-R1147 PolarHBondContact O-N 3.27Å
1144E95.6Very high95.6Very high81 Ų8161 Ų6138%0.37933%0.333SS..Hα-helixtrans-57.6-31.1173-69.7-70.6128.200113.1V1142 R1147 L1148V1142-E1144 PolarHBondContact O-N 2.78Å; E1144-R1147 PolarHBondContact O-N 2.79Å; E1144-R1147 IonicContact OE1-CZ 3.56Å; E1144-R1147 VanDerWaalsContact OE1-CZ 3.31Å; E1144-R1147 IonicContact OE1-NH1 3.7Å; E1144-R1147 PolarHBondContact OE1-NH1 2.94Å; E1144-R1147 IonicContact OE1-NH2 2.73Å; E1144-R1147 PolarHBondContact OE1-NH2 3.27Å; E1144-R1147 IonicContact OE2-CZ 2.65Å; E1144-R1147 IonicContact OE2-NH1 3.17Å; E1144-R1147 IonicContact OE2-NH2 2.78Å; E1144-R1147 PolarHBondContact OE2-NH2 3.43Å; E1144-L1148 WeakPolarHBondContact O-CB 3.33Å; E1144-L1148 VanDerWaalsContact O-CG 3.24Å; E1144-L1148 WeakPolarHBondContact O-CG 3.11Å; E1144-L1148 PolarHBondContact O-N 3.34Å
1145A95.7Very high95.6Very high24 Ų2458.4 Ų58.420%0.19833%0.327CS..Hα-helixtrans-70.5-32.5177.300000112.3V1142 A1143 L1148 Q1149 M1168V1142-A1145 VanDerWaalsContact O-CB 3.27Å; V1142-A1145 WeakPolarHBondContact O-CB 3.45Å; V1142-A1145 PolarHBondContact O-N 3.38Å; A1143-A1145 PolarHBondContact O-N 3.13Å; A1145-L1148 PolarHBondContact O-N 3.49Å; A1145-Q1149 PolarHBondContact O-N 3.04Å; A1145-M1168 HydrophobicContact CB-CG 4.49Å; A1145-M1168 HydrophobicContact CB-SD 4.12Å
1146F97Very high95.7Very high0 Ų053.4 Ų53.40%030%0.296CS..Hα-helixtrans-67.6-41.6174.3-70.4-108.5000110.5V1129 I1133 V1142 A1143 Q1149 E1150 I1151 L1156 L1159 L1164 M1168 I1170 I1178V1129-F1146 HydrophobicContact CG1-CB 4.33Å; V1129-F1146 HydrophobicContact CG1-CD1 3.93Å; V1129-F1146 HydrophobicContact CG1-CG 4.49Å; I1133-F1146 HydrophobicContact CB-CD2 4.49Å; I1133-F1146 HydrophobicContact CD1-CD1 4.39Å; I1133-F1146 HydrophobicContact CD1-CE1 3.97Å; I1133-F1146 HydrophobicContact CD1-CE2 4.31Å; I1133-F1146 HydrophobicContact CD1-CZ 3.96Å; I1133-F1146 HydrophobicContact CG1-CD1 3.99Å; I1133-F1146 HydrophobicContact CG1-CD2 4.02Å; I1133-F1146 HydrophobicContact CG1-CE1 4.07Å; I1133-F1146 HydrophobicContact CG1-CE2 4.12Å; I1133-F1146 HydrophobicContact CG1-CG 4Å; I1133-F1146 HydrophobicContact CG1-CZ 4.16Å; I1133-F1146 HydrophobicContact CG2-CD2 4.14Å; I1133-F1146 HydrophobicContact CG2-CE2 4.05Å; V1142-F1146 WeakPolarHBondContact O-CD2 3.49Å; A1143-F1146 WeakPolarHBondContact O-CB 3.4Å; A1143-F1146 PolarHBondContact O-N 3.42Å; A1143-F1146 VanDerWaalsContact O-N 3.1Å; F1146-Q1149 CarbonylContact O-C 3.54Å; F1146-Q1149 PolarHBondContact O-N 3.14Å; F1146-E1150 PolarHBondContact O-N 3.44Å; F1146-E1150 VanDerWaalsContact O-N 3.17Å; F1146-I1151 HydrophobicContact CB-CB 4.31Å; F1146-I1151 HydrophobicContact CB-CD1 4.48Å; F1146-I1151 HydrophobicContact CD1-CB 4.17Å; F1146-I1151 HydrophobicContact CD1-CD1 3.9Å; F1146-I1151 HydrophobicContact CD1-CG2 4.01Å; F1146-I1151 HydrophobicContact CE1-CD1 4.42Å; F1146-I1151 HydrophobicContact CG-CD1 4.31Å; F1146-I1151 PolarHBondContact O-N 3.21Å; F1146-L1156 HydrophobicContact CD1-CD1 4.33Å; F1146-L1156 HydrophobicContact CE1-CD1 3.9Å; F1146-L1159 HydrophobicContact CD1-CD1 4.25Å; F1146-L1159 HydrophobicContact CE1-CD1 3.54Å; F1146-L1159 HydrophobicContact CZ-CD1 4.33Å; F1146-L1164 HydrophobicContact CE1-CD2 4.41Å; F1146-L1164 HydrophobicContact CZ-CD2 3.91Å; F1146-M1168 HydrophobicContact CD1-CE 4.32Å; F1146-M1168 HydrophobicContact CD2-SD 3.99Å; F1146-M1168 HydrophobicContact CE1-CE 3.89Å; F1146-M1168 HydrophobicContact CE2-CE 4.12Å; F1146-M1168 HydrophobicContact CE2-SD 3.97Å; F1146-M1168 HydrophobicContact CG-SD 4.23Å; F1146-M1168 HydrophobicContact CZ-CE 3.75Å; F1146-M1168 HydrophobicContact CZ-SD 4.21Å; F1146-I1170 HydrophobicContact CE2-CD1 3.64Å; F1146-I1170 HydrophobicContact CZ-CD1 4.16Å; F1146-I1178 HydrophobicContact CE1-CG2 4.42Å; F1146-I1178 HydrophobicContact CE2-CD1 3.99Å; F1146-I1178 HydrophobicContact CZ-CD1 3.99Å; F1146-I1178 HydrophobicContact CZ-CG2 3.93Å
1147R96.8Very high95.7Very high97 Ų9754.2 Ų54.237%0.36630%0.3SS..Hα-helixtrans-66.7-39174.7-155.9168.969.3-108.5-6.7112.7V1126 T1130 A1143 E1144 Q1149 E1150V1126-R1147 HydrophobicContact CG1-CB 4.46Å; V1126-R1147 HydrophobicContact CG1-CG 4.08Å; T1130-R1147 HydrophobicContact CG2-CB 4.18Å; T1130-R1147 WeakPolarHBondContact OG1-CB 3.43Å; A1143-R1147 PolarHBondContact O-N 3.27Å; E1144-R1147 PolarHBondContact O-N 2.79Å; E1144-R1147 IonicContact OE1-CZ 3.56Å; E1144-R1147 VanDerWaalsContact OE1-CZ 3.31Å; E1144-R1147 IonicContact OE1-NH1 3.7Å; E1144-R1147 PolarHBondContact OE1-NH1 2.94Å; E1144-R1147 IonicContact OE1-NH2 2.73Å; E1144-R1147 PolarHBondContact OE1-NH2 3.27Å; E1144-R1147 IonicContact OE2-CZ 2.65Å; E1144-R1147 IonicContact OE2-NH1 3.17Å; E1144-R1147 IonicContact OE2-NH2 2.78Å; E1144-R1147 PolarHBondContact OE2-NH2 3.43Å; R1147-Q1149 VanDerWaalsContact C-N 3.26Å; R1147-Q1149 PolarHBondContact O-N 3.16Å; R1147-E1150 PolarHBondContact O-N 3.11Å
1148L95.9Very high95.8Very high140 Ų14056 Ų5673%0.73330%0.304SS*.Hα-helixtrans-72.6-13.7177.2-73.8169.3000114.4E1144 A1145E1144-L1148 WeakPolarHBondContact O-CB 3.33Å; E1144-L1148 VanDerWaalsContact O-CG 3.24Å; E1144-L1148 WeakPolarHBondContact O-CG 3.11Å; E1144-L1148 PolarHBondContact O-N 3.34Å; A1145-L1148 PolarHBondContact O-N 3.49Å
1149Q95.9Very high96.1Very high91 Ų9154.8 Ų54.843%0.42529%0.285SS..THydrogen-bonded Turntrans-111.115.5172.3-66.9-165.9-0.500112.4A1145 F1146 R1147 I1151 S1167 M1168A1145-Q1149 PolarHBondContact O-N 3.04Å; F1146-Q1149 CarbonylContact O-C 3.54Å; F1146-Q1149 PolarHBondContact O-N 3.14Å; R1147-Q1149 VanDerWaalsContact C-N 3.26Å; R1147-Q1149 PolarHBondContact O-N 3.16Å; Q1149-I1151 HydrophobicContact CB-CD1 3.99Å; Q1149-I1151 HydrophobicContact CB-CG1 3.8Å; Q1149-I1151 WeakPolarHBondContact O-CG1 3.3Å; Q1149-I1151 PolarHBondContact O-N 3Å; Q1149-I1151 VanDerWaalsContact O-N 3.1Å; Q1149-S1167 PolarHBondContact NE2-O 3.48Å; Q1149-M1168 VanDerWaalsContact CD-CG 3.41Å; Q1149-M1168 HydrophobicContact CG-CG 4.39Å
1150E96.8Very high96.1Very high163 Ų16357.8 Ų57.876%0.76230%0.303SS*.THydrogen-bonded Turntrans52.136.1174.1-58.2-177.8144.300113.2F1146 R1147 D1152F1146-E1150 PolarHBondContact O-N 3.44Å; F1146-E1150 VanDerWaalsContact O-N 3.17Å; R1147-E1150 PolarHBondContact O-N 3.11Å; E1150-D1152 PolarHBondContact O-N 3.47Å; E1150-D1152 VanDerWaalsContact O-N 3.15Å
1151I97.3Very high96.2Very high8 Ų860.5 Ų60.54%0.04131%0.308CS..  trans-77.6104.5-173.3-55.4-173.2000110V1129 F1146 Q1149 A1155 L1156 L1159 M1168V1129-I1151 WeakPolarHBondContact CB-O 3.31Å; V1129-I1151 HydrophobicContact CG1-CG2 4.43Å; V1129-I1151 WeakPolarHBondContact CG1-O 3.48Å; F1146-I1151 HydrophobicContact CB-CB 4.31Å; F1146-I1151 HydrophobicContact CB-CD1 4.48Å; F1146-I1151 HydrophobicContact CD1-CB 4.17Å; F1146-I1151 HydrophobicContact CD1-CD1 3.9Å; F1146-I1151 HydrophobicContact CD1-CG2 4.01Å; F1146-I1151 HydrophobicContact CE1-CD1 4.42Å; F1146-I1151 HydrophobicContact CG-CD1 4.31Å; F1146-I1151 PolarHBondContact O-N 3.21Å; Q1149-I1151 HydrophobicContact CB-CD1 3.99Å; Q1149-I1151 HydrophobicContact CB-CG1 3.8Å; Q1149-I1151 WeakPolarHBondContact O-CG1 3.3Å; Q1149-I1151 PolarHBondContact O-N 3Å; Q1149-I1151 VanDerWaalsContact O-N 3.1Å; I1151-A1155 HydrophobicContact CG2-CB 3.86Å; I1151-L1156 HydrophobicContact CG2-CB 4.28Å; I1151-L1159 HydrophobicContact CD1-CD1 4.08Å; I1151-L1159 HydrophobicContact CD1-CD2 4.46Å; I1151-L1159 HydrophobicContact CG2-CD1 4.06Å; I1151-M1168 HydrophobicContact CD1-CE 3.39Å; I1151-M1168 HydrophobicContact CD1-SD 3.6Å; I1151-M1168 VanDerWaalsContact CD1-SD 3.6Å
1152D97.2Very high96.3Very high52 Ų5259.9 Ų59.928%0.27831%0.305SS..  trans-80.8179.6172.685.2-36.7000112.4V1126 V1129 E1150 Q1154 A1155 L1156V1126-D1152 HydrophobicContact CG2-CB 4.36Å; V1129-D1152 VanDerWaalsContact CG2-C 3.49Å; E1150-D1152 PolarHBondContact O-N 3.47Å; E1150-D1152 VanDerWaalsContact O-N 3.15Å; D1152-Q1154 VanDerWaalsContact C-N 3.29Å; D1152-Q1154 PolarHBondContact O-N 3.18Å; D1152-Q1154 PolarHBondContact OD1-N 3.38Å; D1152-Q1154 WeakPolarHBondContact OD2-CB 3.43Å; D1152-Q1154 PolarHBondContact OD2-N 3.32Å; D1152-A1155 PolarHBondContact O-N 3.23Å; D1152-A1155 WeakPolarHBondContact OD1-CB 3.47Å; D1152-A1155 PolarHBondContact OD1-N 3.22Å; D1152-L1156 VanDerWaalsContact O-CB 3.27Å; D1152-L1156 WeakPolarHBondContact O-CB 3.36Å; D1152-L1156 PolarHBondContact O-N 3.3Å
1153G96.4Very high96.4Very high0 Ų062.7 Ų62.70%032%0.316CS..Hα-helixtrans-60.2-34.5178.500000113.9P1121 W1124 L1157P1121-G1153 CarbonylContact O-C 3.31Å; P1121-G1153 WeakPolarHBondContact O-CA 3.37Å; W1124-G1153 PolarHBondContact O-N 3.21Å; G1153-L1157 VanDerWaalsContact O-CG 3.28Å; G1153-L1157 WeakPolarHBondContact O-CG 3.17Å; G1153-L1157 PolarHBondContact O-N 3.41Å
1154Q96Very high96.4Very high120 Ų12062.7 Ų62.756%0.56132%0.316SS*.Hα-helixtrans-71.4-49179.4-57.8-1719.400111A1122 D1152 L1156 L1157 L1158A1122-Q1154 HydrophobicContact CB-CG 4.49Å; A1122-Q1154 WeakPolarHBondContact O-CG 3.48Å; A1122-Q1154 PolarHBondContact O-NE2 2.89Å; D1152-Q1154 VanDerWaalsContact C-N 3.29Å; D1152-Q1154 PolarHBondContact O-N 3.18Å; D1152-Q1154 PolarHBondContact OD1-N 3.38Å; D1152-Q1154 WeakPolarHBondContact OD2-CB 3.43Å; D1152-Q1154 PolarHBondContact OD2-N 3.32Å; Q1154-L1156 VanDerWaalsContact C-N 3.35Å; Q1154-L1156 PolarHBondContact O-N 3.13Å; Q1154-L1157 PolarHBondContact O-N 2.9Å; Q1154-L1158 WeakPolarHBondContact O-CG 3.34Å; Q1154-L1158 PolarHBondContact O-N 2.83Å
1155A97Very high96.5Very high34 Ų3462.2 Ų62.228%0.28132%0.315SS..Hα-helixtrans-59.2-44.1174.400000111.4I1151 D1152 L1157 L1158 L1159I1151-A1155 HydrophobicContact CG2-CB 3.86Å; D1152-A1155 PolarHBondContact O-N 3.23Å; D1152-A1155 WeakPolarHBondContact OD1-CB 3.47Å; D1152-A1155 PolarHBondContact OD1-N 3.22Å; A1155-L1157 VanDerWaalsContact C-N 3.28Å; A1155-L1157 PolarHBondContact O-N 3.47Å; A1155-L1158 CarbonylContact O-C 3.56Å; A1155-L1158 WeakPolarHBondContact O-CA 3.19Å; A1155-L1158 PolarHBondContact O-N 3.26Å; A1155-L1159 WeakPolarHBondContact O-CG 3.46Å; A1155-L1159 PolarHBondContact O-N 3.44Å; A1155-L1159 VanDerWaalsContact O-N 3.11Å
1156L96.9Very high96.4Very high0 Ų064.5 Ų64.50%033%0.327CS..Hα-helixtrans-53-43.8177.4177.467.7000112.2W1124 V1129 F1132 I1133 F1146 I1151 D1152 Q1154 L1158 L1159 I1182 L1185W1124-L1156 HydrophobicContact CE3-CD2 4.18Å; W1124-L1156 HydrophobicContact CZ3-CD2 4.21Å; V1129-L1156 HydrophobicContact CG1-CB 4.36Å; V1129-L1156 HydrophobicContact CG1-CD1 4.15Å; V1129-L1156 HydrophobicContact CG1-CD2 4.09Å; V1129-L1156 HydrophobicContact CG1-CG 4.42Å; V1129-L1156 HydrophobicContact CG2-CB 4.22Å; V1129-L1156 HydrophobicContact CG2-CD2 3.93Å; F1132-L1156 HydrophobicContact CD1-CD2 4.15Å; F1132-L1156 HydrophobicContact CE1-CD2 4.33Å; I1133-L1156 HydrophobicContact CD1-CD1 4.35Å; F1146-L1156 HydrophobicContact CD1-CD1 4.33Å; F1146-L1156 HydrophobicContact CE1-CD1 3.9Å; I1151-L1156 HydrophobicContact CG2-CB 4.28Å; D1152-L1156 VanDerWaalsContact O-CB 3.27Å; D1152-L1156 WeakPolarHBondContact O-CB 3.36Å; D1152-L1156 PolarHBondContact O-N 3.3Å; Q1154-L1156 VanDerWaalsContact C-N 3.35Å; Q1154-L1156 PolarHBondContact O-N 3.13Å; L1156-L1158 PolarHBondContact O-N 3.05Å; L1156-L1159 HydrophobicContact CD1-CD1 4.28Å; L1156-L1159 PolarHBondContact O-N 3.28Å; L1156-I1182 HydrophobicContact CD1-CD1 3.8Å; L1156-I1182 HydrophobicContact CD1-CG1 3.78Å; L1156-I1182 HydrophobicContact CG-CD1 4.48Å; L1156-I1182 HydrophobicContact CG-CG1 4.12Å; L1156-I1182 WeakPolarHBondContact O-CD1 3.42Å; L1156-L1185 HydrophobicContact CD2-CD1 4.13Å
1157L96Very high96.1Very high27 Ų2768 Ų6814%0.14135%0.351CS..Hα-helixtrans-73.1-14.4179.3-61.4168.5000113.1P1121 A1122 G1153 Q1154 A1155 L1185 K1186P1121-L1157 HydrophobicContact CB-CD1 4.14Å; P1121-L1157 HydrophobicContact CB-CD2 4.04Å; P1121-L1157 HydrophobicContact CB-CG 4.49Å; A1122-L1157 HydrophobicContact CB-CD1 3.8Å; G1153-L1157 VanDerWaalsContact O-CG 3.28Å; G1153-L1157 WeakPolarHBondContact O-CG 3.17Å; G1153-L1157 PolarHBondContact O-N 3.41Å; Q1154-L1157 PolarHBondContact O-N 2.9Å; A1155-L1157 VanDerWaalsContact C-N 3.28Å; A1155-L1157 PolarHBondContact O-N 3.47Å; L1157-L1185 HydrophobicContact CD2-CB 4.01Å; L1157-K1186 HydrophobicContact CB-CD 4.43Å; L1157-K1186 HydrophobicContact CB-CG 4.29Å; L1157-K1186 HydrophobicContact CD2-CD 4.4Å; L1157-K1186 HydrophobicContact CD2-CG 3.52Å; L1157-K1186 HydrophobicContact CG-CG 4.45Å; L1157-K1186 WeakPolarHBondContact O-CD 3.37Å; L1157-K1186 WeakPolarHBondContact O-CE 3.39Å; L1157-K1186 PolarHBondContact O-NZ 2.72Å
1158L95.9Very high96Very high128 Ų12864.1 Ų64.167%0.6734%0.337SS*.Hα-helixtrans-97.3-10176.2-63.6174.6000113.5Q1154 A1155 L1156 T1160Q1154-L1158 WeakPolarHBondContact O-CG 3.34Å; Q1154-L1158 PolarHBondContact O-N 2.83Å; A1155-L1158 CarbonylContact O-C 3.56Å; A1155-L1158 WeakPolarHBondContact O-CA 3.19Å; A1155-L1158 PolarHBondContact O-N 3.26Å; L1156-L1158 PolarHBondContact O-N 3.05Å; L1158-T1160 PolarHBondContact O-N 3.14Å
1159L96.1Very high96Very high28 Ų2863.9 Ų63.915%0.14734%0.337CS..  trans-65.5132.4179.6-68.1176.4000112.7F1146 I1151 A1155 L1156 H1163 L1164 M1168 I1182F1146-L1159 HydrophobicContact CD1-CD1 4.25Å; F1146-L1159 HydrophobicContact CE1-CD1 3.54Å; F1146-L1159 HydrophobicContact CZ-CD1 4.33Å; I1151-L1159 HydrophobicContact CD1-CD1 4.08Å; I1151-L1159 HydrophobicContact CD1-CD2 4.46Å; I1151-L1159 HydrophobicContact CG2-CD1 4.06Å; A1155-L1159 WeakPolarHBondContact O-CG 3.46Å; A1155-L1159 PolarHBondContact O-N 3.44Å; A1155-L1159 VanDerWaalsContact O-N 3.11Å; L1156-L1159 HydrophobicContact CD1-CD1 4.28Å; L1156-L1159 PolarHBondContact O-N 3.28Å; L1159-H1163 HydrophobicContact CD2-CB 3.92Å; L1159-L1164 HydrophobicContact CB-CD2 4.16Å; L1159-L1164 HydrophobicContact CD1-CD2 3.74Å; L1159-L1164 HydrophobicContact CG-CD2 4.39Å; L1159-M1168 HydrophobicContact CD1-CE 3.82Å; L1159-M1168 HydrophobicContact CD2-CE 4.3Å; L1159-I1182 HydrophobicContact CB-CD1 4.14Å
1160T95.8Very high96Very high64 Ų6459.9 Ų59.939%0.39332%0.318SS..  trans-102.9163.9171.769.70000110.6L1158 D1162 H1163 L1164L1158-T1160 PolarHBondContact O-N 3.14Å; T1160-D1162 PolarHBondContact O-N 3.16Å; T1160-H1163 PolarHBondContact N-ND1 2.86Å; T1160-H1163 PolarHBondContact O-N 3.33Å; T1160-H1163 VanDerWaalsContact O-N 3.11Å; T1160-H1163 PolarHBondContact OG1-CD2 3.09Å; T1160-H1163 VanDerWaalsContact OG1-CG 3.29Å; T1160-H1163 PolarHBondContact OG1-N 2.9Å; T1160-H1163 PolarHBondContact OG1-NE2 3.24Å; T1160-L1164 WeakPolarHBondContact O-CG 3.15Å; T1160-L1164 PolarHBondContact O-N 3.26Å
1161E96.6Very high96Very high85 Ų8559.3 Ų59.340%0.39731%0.313SS..Hα-helixtrans-52.9-38.2174.3-176.7-178159.200112L1164 M1165 L1172 L1176 C1179E1161-L1164 PolarHBondContact O-N 3.38Å; E1161-M1165 HydrophobicContact CG-SD 4.2Å; E1161-M1165 WeakPolarHBondContact O-CG 3.41Å; E1161-M1165 PolarHBondContact O-N 2.82Å; E1161-L1172 WeakPolarHBondContact OE1-CD1 3.18Å; E1161-L1176 VanDerWaalsContact CD-CD2 3.48Å; E1161-L1176 HydrophobicContact CG-CD2 4.26Å; E1161-L1176 WeakPolarHBondContact OE2-CD2 3.43Å; E1161-C1179 VanDerWaalsContact CA-SG 3.58Å; E1161-C1179 PolarHBondContact N-SG 3.3Å
1162D96.4Very high95.9Very high96 Ų9663 Ų6351%0.51333%0.332SS..Hα-helixtrans-63.4-50.5176.5-165.994.7000111.1T1160 L1164 M1165 T1166T1160-D1162 PolarHBondContact O-N 3.16Å; D1162-L1164 PolarHBondContact O-N 3.24Å; D1162-L1164 VanDerWaalsContact O-N 3.13Å; D1162-M1165 CarbonylContact O-C 3.21Å; D1162-M1165 WeakPolarHBondContact O-CA 3.2Å; D1162-M1165 PolarHBondContact O-N 3.39Å; D1162-T1166 PolarHBondContact O-N 3.29Å; D1162-T1166 PolarHBondContact O-OG1 3.3Å; D1162-T1166 WeakPolarHBondContact OD2-CG2 3.45Å; D1162-T1166 PolarHBondContact OD2-OG1 3.46Å
1163H96.4Very high95.8Very high78 Ų7862.4 Ų62.436%0.36134%0.339SS..Hα-helixtrans-56.4-36.8-179.2-55172.3000112.1L1159 T1160 S1167 M1168L1159-H1163 HydrophobicContact CD2-CB 3.92Å; T1160-H1163 PolarHBondContact N-ND1 2.86Å; T1160-H1163 PolarHBondContact O-N 3.33Å; T1160-H1163 VanDerWaalsContact O-N 3.11Å; T1160-H1163 PolarHBondContact OG1-CD2 3.09Å; T1160-H1163 VanDerWaalsContact OG1-CG 3.29Å; T1160-H1163 PolarHBondContact OG1-N 2.9Å; T1160-H1163 PolarHBondContact OG1-NE2 3.24Å; H1163-S1167 WeakPolarHBondContact O-CB 3.23Å; H1163-S1167 PolarHBondContact O-N 3.25Å; H1163-M1168 PolarHBondContact O-N 3.29Å
1164L96.8Very high95.8Very high0 Ų063.6 Ų63.60%035%0.347CS..Hα-helixtrans-64.7-44174.4-55-171000111.3F1146 L1159 T1160 E1161 D1162 M1168 N1169 I1170 A1175 I1178 C1179F1146-L1164 HydrophobicContact CE1-CD2 4.41Å; F1146-L1164 HydrophobicContact CZ-CD2 3.91Å; L1159-L1164 HydrophobicContact CB-CD2 4.16Å; L1159-L1164 HydrophobicContact CD1-CD2 3.74Å; L1159-L1164 HydrophobicContact CG-CD2 4.39Å; T1160-L1164 WeakPolarHBondContact O-CG 3.15Å; T1160-L1164 PolarHBondContact O-N 3.26Å; E1161-L1164 PolarHBondContact O-N 3.38Å; D1162-L1164 PolarHBondContact O-N 3.24Å; D1162-L1164 VanDerWaalsContact O-N 3.13Å; L1164-M1168 HydrophobicContact CD2-CE 3.37Å; L1164-M1168 CarbonylContact O-C 3.58Å; L1164-M1168 WeakPolarHBondContact O-CB 3.38Å; L1164-N1169 PolarHBondContact O-N 2.83Å; L1164-I1170 HydrophobicContact CB-CB 4.36Å; L1164-I1170 HydrophobicContact CB-CD1 4.34Å; L1164-I1170 HydrophobicContact CD2-CD1 4.45Å; L1164-I1170 VanDerWaalsContact O-CB 3.25Å; L1164-I1170 WeakPolarHBondContact O-CB 3.31Å; L1164-I1170 PolarHBondContact O-N 2.69Å; L1164-A1175 HydrophobicContact CB-CB 3.77Å; L1164-A1175 HydrophobicContact CD1-CB 3.88Å; L1164-A1175 VanDerWaalsContact CD1-O 3.3Å; L1164-A1175 WeakPolarHBondContact CD1-O 3.45Å; L1164-A1175 HydrophobicContact CG-CB 4.46Å; L1164-I1178 HydrophobicContact CD1-CB 3.89Å; L1164-I1178 HydrophobicContact CD1-CG2 3.95Å; L1164-C1179 VanDerWaalsContact CD1-SG 3.51Å
1165M96.8Very high95.8Very high72 Ų7257.9 Ų57.936%0.35532%0.32SS..Hα-helixtrans-82.2-38.6-173.8-70.9-175.454.500114.8E1161 D1162 N1169 I1170 L1172 A1175E1161-M1165 HydrophobicContact CG-SD 4.2Å; E1161-M1165 WeakPolarHBondContact O-CG 3.41Å; E1161-M1165 PolarHBondContact O-N 2.82Å; D1162-M1165 CarbonylContact O-C 3.21Å; D1162-M1165 WeakPolarHBondContact O-CA 3.2Å; D1162-M1165 PolarHBondContact O-N 3.39Å; M1165-N1169 WeakPolarHBondContact O-CA 3.33Å; M1165-I1170 WeakPolarHBondContact CA-O 3.41Å; M1165-I1170 WeakPolarHBondContact CG-O 3.5Å; M1165-L1172 HydrophobicContact CE-CB 4.02Å; M1165-L1172 HydrophobicContact CE-CD1 4.19Å; M1165-L1172 HydrophobicContact SD-CB 3.93Å; M1165-L1172 HydrophobicContact SD-CD1 3.48Å; M1165-L1172 WeakPolarHBondContact SD-CD1 3.23Å; M1165-L1172 HydrophobicContact SD-CG 4.31Å; M1165-A1175 HydrophobicContact CG-CB 3.9Å
1166T94.1Very high95.8Very high72 Ų7260.1 Ų60.144%0.44233%0.327SS..THydrogen-bonded Turntrans-87.9-59.5-176.658.50000110.5D1162 N1169D1162-T1166 PolarHBondContact O-N 3.29Å; D1162-T1166 PolarHBondContact O-OG1 3.3Å; D1162-T1166 WeakPolarHBondContact OD2-CG2 3.45Å; D1162-T1166 PolarHBondContact OD2-OG1 3.46Å; T1166-N1169 PolarHBondContact O-ND2 3.39Å
1167S92.1Very high95.8Very high72 Ų7264.4 Ų64.450%0.50335%0.345SS..THydrogen-bonded Turntrans-77.2-35.9-175.1-52.20000114.5Q1149 H1163Q1149-S1167 PolarHBondContact NE2-O 3.48Å; H1163-S1167 WeakPolarHBondContact O-CB 3.23Å; H1163-S1167 PolarHBondContact O-N 3.25Å
1168M94.4Very high95.8Very high16 Ų1663.1 Ų63.18%0.07934%0.339CS..SBendtrans-99.2-3.1176.6-78.4-166.5-89.100114.6A1145 F1146 Q1149 I1151 L1159 H1163 L1164 I1170A1145-M1168 HydrophobicContact CB-CG 4.49Å; A1145-M1168 HydrophobicContact CB-SD 4.12Å; F1146-M1168 HydrophobicContact CD1-CE 4.32Å; F1146-M1168 HydrophobicContact CD2-SD 3.99Å; F1146-M1168 HydrophobicContact CE1-CE 3.89Å; F1146-M1168 HydrophobicContact CE2-CE 4.12Å; F1146-M1168 HydrophobicContact CE2-SD 3.97Å; F1146-M1168 HydrophobicContact CG-SD 4.23Å; F1146-M1168 HydrophobicContact CZ-CE 3.75Å; F1146-M1168 HydrophobicContact CZ-SD 4.21Å; Q1149-M1168 VanDerWaalsContact CD-CG 3.41Å; Q1149-M1168 HydrophobicContact CG-CG 4.39Å; I1151-M1168 HydrophobicContact CD1-CE 3.39Å; I1151-M1168 HydrophobicContact CD1-SD 3.6Å; I1151-M1168 VanDerWaalsContact CD1-SD 3.6Å; L1159-M1168 HydrophobicContact CD1-CE 3.82Å; L1159-M1168 HydrophobicContact CD2-CE 4.3Å; H1163-M1168 PolarHBondContact O-N 3.29Å; L1164-M1168 HydrophobicContact CD2-CE 3.37Å; L1164-M1168 CarbonylContact O-C 3.58Å; L1164-M1168 WeakPolarHBondContact O-CB 3.38Å; M1168-I1170 HydrophobicContact CB-CD1 3.72Å; M1168-I1170 HydrophobicContact CB-CG1 3.78Å; M1168-I1170 HydrophobicContact CE-CD1 4.15Å; M1168-I1170 HydrophobicContact CG-CD1 4.43Å; M1168-I1170 PolarHBondContact O-N 3.36Å; M1168-I1170 HydrophobicContact SD-CD1 3.87Å
1169N94.7Very high95.8Very high135 Ų13557.8 Ų57.872%0.72231%0.312SS*.  trans52.524.7-174.8-53.6137.2000114.7L1164 M1165 T1166L1164-N1169 PolarHBondContact O-N 2.83Å; M1165-N1169 WeakPolarHBondContact O-CA 3.33Å; T1166-N1169 PolarHBondContact O-ND2 3.39Å
1170I95.9Very high95.9Very high7 Ų759.3 Ų59.34%0.03633%0.329CS..  trans-70.1138.3177.4-63.8169.7000108.7V1142 F1146 L1164 M1165 M1168 P1174 A1175V1142-I1170 HydrophobicContact CB-CD1 4.11Å; V1142-I1170 HydrophobicContact CB-CG1 4.03Å; V1142-I1170 HydrophobicContact CG1-CG1 4.07Å; V1142-I1170 HydrophobicContact CG1-CG2 4.21Å; V1142-I1170 HydrophobicContact CG2-CD1 4.25Å; V1142-I1170 HydrophobicContact CG2-CG1 4.5Å; V1142-I1170 HydrophobicContact CG2-CG2 4.38Å; F1146-I1170 HydrophobicContact CE2-CD1 3.64Å; F1146-I1170 HydrophobicContact CZ-CD1 4.16Å; L1164-I1170 HydrophobicContact CB-CB 4.36Å; L1164-I1170 HydrophobicContact CB-CD1 4.34Å; L1164-I1170 HydrophobicContact CD2-CD1 4.45Å; L1164-I1170 VanDerWaalsContact O-CB 3.25Å; L1164-I1170 WeakPolarHBondContact O-CB 3.31Å; L1164-I1170 PolarHBondContact O-N 2.69Å; M1165-I1170 WeakPolarHBondContact CA-O 3.41Å; M1165-I1170 WeakPolarHBondContact CG-O 3.5Å; M1168-I1170 HydrophobicContact CB-CD1 3.72Å; M1168-I1170 HydrophobicContact CB-CG1 3.78Å; M1168-I1170 HydrophobicContact CE-CD1 4.15Å; M1168-I1170 HydrophobicContact CG-CD1 4.43Å; M1168-I1170 PolarHBondContact O-N 3.36Å; M1168-I1170 HydrophobicContact SD-CD1 3.87Å; I1170-P1174 HydrophobicContact CG2-CB 3.83Å; I1170-A1175 HydrophobicContact CG2-CB 4.06Å
1171K96.5Very high95.8Very high151 Ų15159.7 Ų59.766%0.65733%0.326SS*.  trans-67.5143.4177.8-62.4162.4-166.2141.90109.7G1173 P1174 A1175K1171-G1173 PolarHBondContact O-N 3.12Å; K1171-P1174 VanDerWaalsContact O-CD 3.23Å; K1171-P1174 WeakPolarHBondContact O-CD 3.18Å; K1171-A1175 WeakPolarHBondContact O-CB 3.22Å; K1171-A1175 PolarHBondContact O-N 2.99Å
1172L95.6Very high95.8Very high85 Ų8555.8 Ų55.845%0.44531%0.308SS..Hα-helixtrans-41.5-41.4177.3179.264.9000114.5E1161 M1165 A1175 L1176E1161-L1172 WeakPolarHBondContact OE1-CD1 3.18Å; M1165-L1172 HydrophobicContact CE-CB 4.02Å; M1165-L1172 HydrophobicContact CE-CD1 4.19Å; M1165-L1172 HydrophobicContact SD-CB 3.93Å; M1165-L1172 HydrophobicContact SD-CD1 3.48Å; M1165-L1172 WeakPolarHBondContact SD-CD1 3.23Å; M1165-L1172 HydrophobicContact SD-CG 4.31Å; L1172-A1175 PolarHBondContact O-N 3.21Å; L1172-L1176 HydrophobicContact CD1-CD1 3.73Å; L1172-L1176 HydrophobicContact CD1-CD2 4.49Å; L1172-L1176 HydrophobicContact CD1-CG 3.88Å; L1172-L1176 HydrophobicContact CG-CD1 3.88Å; L1172-L1176 HydrophobicContact CG-CG 4.39Å; L1172-L1176 WeakPolarHBondContact O-CB 3.37Å; L1172-L1176 VanDerWaalsContact O-CG 3.28Å; L1172-L1176 WeakPolarHBondContact O-CG 3.4Å; L1172-L1176 PolarHBondContact O-N 3.16Å
1173G95.5Very high95.7Very high41 Ų4155.6 Ų55.642%0.42331%0.307SS..Hα-helixtrans-60.5-63.6179.300000114K1171 A1175 K1177K1171-G1173 PolarHBondContact O-N 3.12Å; G1173-A1175 VanDerWaalsContact C-N 3.29Å; G1173-A1175 PolarHBondContact O-N 3.4Å; G1173-K1177 PolarHBondContact O-N 3.27Å
1174P95.9Very high95.6Very high24 Ų2454.2 Ų54.216%0.15631%0.309CS..Hα-helixtrans-56.4-37.2170.1-29.235.5000114.3V1142 I1170 K1171 K1177 I1178V1142-P1174 HydrophobicContact CG2-CB 4.44Å; I1170-P1174 HydrophobicContact CG2-CB 3.83Å; K1171-P1174 VanDerWaalsContact O-CD 3.23Å; K1171-P1174 WeakPolarHBondContact O-CD 3.18Å; P1174-K1177 WeakPolarHBondContact O-CB 3.47Å; P1174-K1177 PolarHBondContact O-N 3.42Å; P1174-I1178 WeakPolarHBondContact O-CD1 3.3Å; P1174-I1178 VanDerWaalsContact O-CG1 3.28Å; P1174-I1178 WeakPolarHBondContact O-CG1 3.27Å; P1174-I1178 PolarHBondContact O-N 3.47Å
1175A97.1Very high95.4Very high0 Ų054.9 Ų54.90%031%0.312CS..Hα-helixtrans-59.1-53177.800000111.9L1164 M1165 I1170 K1171 L1172 G1173 K1177 I1178 C1179L1164-A1175 HydrophobicContact CB-CB 3.77Å; L1164-A1175 HydrophobicContact CD1-CB 3.88Å; L1164-A1175 VanDerWaalsContact CD1-O 3.3Å; L1164-A1175 WeakPolarHBondContact CD1-O 3.45Å; L1164-A1175 HydrophobicContact CG-CB 4.46Å; M1165-A1175 HydrophobicContact CG-CB 3.9Å; I1170-A1175 HydrophobicContact CG2-CB 4.06Å; K1171-A1175 WeakPolarHBondContact O-CB 3.22Å; K1171-A1175 PolarHBondContact O-N 2.99Å; L1172-A1175 PolarHBondContact O-N 3.21Å; G1173-A1175 VanDerWaalsContact C-N 3.29Å; G1173-A1175 PolarHBondContact O-N 3.4Å; A1175-K1177 VanDerWaalsContact C-N 3.3Å; A1175-K1177 PolarHBondContact O-N 3.3Å; A1175-I1178 PolarHBondContact O-N 3.5Å; A1175-I1178 VanDerWaalsContact O-N 3.09Å; A1175-C1179 PolarHBondContact O-N 3.35Å
1176L96.8Very high95.1Very high81 Ų8156.6 Ų56.642%0.42432%0.318SS..Hα-helixtrans-58.9-38177.2-73.9170.3000112.9E1161 L1172 A1180E1161-L1176 VanDerWaalsContact CD-CD2 3.48Å; E1161-L1176 HydrophobicContact CG-CD2 4.26Å; E1161-L1176 WeakPolarHBondContact OE2-CD2 3.43Å; L1172-L1176 HydrophobicContact CD1-CD1 3.73Å; L1172-L1176 HydrophobicContact CD1-CD2 4.49Å; L1172-L1176 HydrophobicContact CD1-CG 3.88Å; L1172-L1176 HydrophobicContact CG-CD1 3.88Å; L1172-L1176 HydrophobicContact CG-CG 4.39Å; L1172-L1176 WeakPolarHBondContact O-CB 3.37Å; L1172-L1176 VanDerWaalsContact O-CG 3.28Å; L1172-L1176 WeakPolarHBondContact O-CG 3.4Å; L1172-L1176 PolarHBondContact O-N 3.16Å; L1176-A1180 WeakPolarHBondContact O-CB 3.19Å; L1176-A1180 PolarHBondContact O-N 2.75Å
1177K96.4Very high94.6Very high90 Ų9059.9 Ų59.939%0.39133%0.333SS..Hα-helixtrans-61.2-48.9173.2-73.4178.9176.1179.10111.4P1137 G1173 P1174 A1175 A1180 H1181P1137-K1177 PolarHBondContact O-NZ 3.47Å; G1173-K1177 PolarHBondContact O-N 3.27Å; P1174-K1177 WeakPolarHBondContact O-CB 3.47Å; P1174-K1177 PolarHBondContact O-N 3.42Å; A1175-K1177 VanDerWaalsContact C-N 3.3Å; A1175-K1177 PolarHBondContact O-N 3.3Å; K1177-A1180 PolarHBondContact O-N 3.18Å; K1177-H1181 PolarHBondContact O-CD2 3.23Å; K1177-H1181 PolarHBondContact O-N 3.4Å
1178I96.9Very high93.7Very high0 Ų065.6 Ų65.60%035%0.351CS..Hα-helixtrans-64.4-44.2-178.1-66.3162.7000109.9I1133 L1136 C1139 V1142 F1146 L1164 P1174 A1175 A1180 H1181 I1182I1133-I1178 HydrophobicContact CD1-CD1 4.42Å; I1133-I1178 HydrophobicContact CD1-CG1 4.16Å; I1133-I1178 HydrophobicContact CD1-CG2 3.76Å; I1133-I1178 HydrophobicContact CG2-CD1 4.2Å; L1136-I1178 HydrophobicContact CD1-CG1 4.04Å; C1139-I1178 HydrophobicContact CB-CD1 4.19Å; C1139-I1178 HydrophobicContact CB-CG1 4.28Å; V1142-I1178 HydrophobicContact CG2-CD1 3.79Å; F1146-I1178 HydrophobicContact CE1-CG2 4.42Å; F1146-I1178 HydrophobicContact CE2-CD1 3.99Å; F1146-I1178 HydrophobicContact CZ-CD1 3.99Å; F1146-I1178 HydrophobicContact CZ-CG2 3.93Å; L1164-I1178 HydrophobicContact CD1-CB 3.89Å; L1164-I1178 HydrophobicContact CD1-CG2 3.95Å; P1174-I1178 WeakPolarHBondContact O-CD1 3.3Å; P1174-I1178 VanDerWaalsContact O-CG1 3.28Å; P1174-I1178 WeakPolarHBondContact O-CG1 3.27Å; P1174-I1178 PolarHBondContact O-N 3.47Å; A1175-I1178 PolarHBondContact O-N 3.5Å; A1175-I1178 VanDerWaalsContact O-N 3.09Å; I1178-A1180 VanDerWaalsContact C-N 3.34Å; I1178-A1180 PolarHBondContact O-N 3.32Å; I1178-H1181 CarbonylContact O-C 3.52Å; I1178-H1181 PolarHBondContact O-N 3.28Å; I1178-H1181 VanDerWaalsContact O-N 3.14Å; I1178-I1182 HydrophobicContact CG2-CD1 3.64Å; I1178-I1182 HydrophobicContact CG2-CG1 4.2Å; I1178-I1182 VanDerWaalsContact O-CG1 3.3Å; I1178-I1182 WeakPolarHBondContact O-CG1 2.86Å; I1178-I1182 PolarHBondContact O-N 3.48Å
1179C96.3Very high93.7Very high16 Ų1668.1 Ų68.111%0.10837%0.365CS..Hα-helixtrans-60-39.3173.3-69.30000113.2E1161 L1164 A1175 H1181 I1182 N1183E1161-C1179 VanDerWaalsContact CA-SG 3.58Å; E1161-C1179 PolarHBondContact N-SG 3.3Å; L1164-C1179 VanDerWaalsContact CD1-SG 3.51Å; A1175-C1179 PolarHBondContact O-N 3.35Å; C1179-H1181 VanDerWaalsContact C-N 3.33Å; C1179-H1181 PolarHBondContact O-N 3.48Å; C1179-I1182 PolarHBondContact O-N 2.86Å; C1179-N1183 WeakPolarHBondContact O-CB 3.03Å; C1179-N1183 VanDerWaalsContact O-CG 3.3Å; C1179-N1183 PolarHBondContact O-N 3.11Å; C1179-N1183 PolarHBondContact O-ND2 3.01Å
1180A96.3Very high93.6Very high60 Ų6064.5 Ų64.550%0.49635%0.346SS..Hα-helixtrans-62.7-40.5174.400000112L1176 K1177 I1178 A1184L1176-A1180 WeakPolarHBondContact O-CB 3.19Å; L1176-A1180 PolarHBondContact O-N 2.75Å; K1177-A1180 PolarHBondContact O-N 3.18Å; I1178-A1180 VanDerWaalsContact C-N 3.34Å; I1178-A1180 PolarHBondContact O-N 3.32Å; A1180-A1184 PolarHBondContact O-N 3.27Å; A1180-A1184 VanDerWaalsContact O-N 3.11Å
1181H95.1Very high93.5Very high72 Ų7267.7 Ų67.733%0.33336%0.363SS..Hα-helixtrans-71.6-38175.7-80.3-72.1000113.2F1132 L1136 K1177 I1178 C1179 A1184 L1185F1132-H1181 HydrophobicContact CZ-CB 4.02Å; L1136-H1181 HydrophobicContact CD1-CB 3.98Å; L1136-H1181 HydrophobicContact CD2-CB 4.21Å; K1177-H1181 PolarHBondContact O-CD2 3.23Å; K1177-H1181 PolarHBondContact O-N 3.4Å; I1178-H1181 CarbonylContact O-C 3.52Å; I1178-H1181 PolarHBondContact O-N 3.28Å; I1178-H1181 VanDerWaalsContact O-N 3.14Å; C1179-H1181 VanDerWaalsContact C-N 3.33Å; C1179-H1181 PolarHBondContact O-N 3.48Å; H1181-A1184 WeakPolarHBondContact O-CB 3.17Å; H1181-A1184 PolarHBondContact O-N 3.36Å; H1181-A1184 VanDerWaalsContact O-N 3.14Å; H1181-L1185 WeakPolarHBondContact O-CG 3.49Å; H1181-L1185 PolarHBondContact O-N 3.28Å
1182I95.6Very high93.3Very high3 Ų362.8 Ų62.82%0.01535%0.346CS..Hα-helixtrans-60.3-45.8171.8-69.8162.8000110.2L1156 L1159 I1178 C1179 A1184 L1185 K1186L1156-I1182 HydrophobicContact CD1-CD1 3.8Å; L1156-I1182 HydrophobicContact CD1-CG1 3.78Å; L1156-I1182 HydrophobicContact CG-CD1 4.48Å; L1156-I1182 HydrophobicContact CG-CG1 4.12Å; L1156-I1182 WeakPolarHBondContact O-CD1 3.42Å; L1159-I1182 HydrophobicContact CB-CD1 4.14Å; I1178-I1182 HydrophobicContact CG2-CD1 3.64Å; I1178-I1182 HydrophobicContact CG2-CG1 4.2Å; I1178-I1182 VanDerWaalsContact O-CG1 3.3Å; I1178-I1182 WeakPolarHBondContact O-CG1 2.86Å; I1178-I1182 PolarHBondContact O-N 3.48Å; C1179-I1182 PolarHBondContact O-N 2.86Å; I1182-A1184 PolarHBondContact O-N 2.91Å; I1182-L1185 WeakPolarHBondContact O-CA 3.03Å; I1182-L1185 WeakPolarHBondContact O-CB 3.44Å; I1182-L1185 PolarHBondContact O-N 2.75Å; I1182-K1186 HydrophobicContact CG2-CD 3.87Å; I1182-K1186 HydrophobicContact CG2-CG 4.33Å; I1182-K1186 WeakPolarHBondContact O-CG 2.92Å; I1182-K1186 PolarHBondContact O-N 2.78Å
1183N94.9Very high93.2Very high93 Ų9361.4 Ų61.450%0.49734%0.34SS..Hα-helixtrans-62.2-30.9175.6-73.2-39.9000112.5C1179 N1187C1179-N1183 WeakPolarHBondContact O-CB 3.03Å; C1179-N1183 VanDerWaalsContact O-CG 3.3Å; C1179-N1183 PolarHBondContact O-N 3.11Å; C1179-N1183 PolarHBondContact O-ND2 3.01Å; N1183-N1187 VanDerWaalsContact O-CG 3.3Å; N1183-N1187 PolarHBondContact O-ND2 3.5Å
1184A93.5Very high93Very high49 Ų4962.8 Ų62.841%0.40533%0.334SS..Hα-helixtrans-73.4-26.6172.100000113.4A1180 H1181 I1182 Q1188A1180-A1184 PolarHBondContact O-N 3.27Å; A1180-A1184 VanDerWaalsContact O-N 3.11Å; H1181-A1184 WeakPolarHBondContact O-CB 3.17Å; H1181-A1184 PolarHBondContact O-N 3.36Å; H1181-A1184 VanDerWaalsContact O-N 3.14Å; I1182-A1184 PolarHBondContact O-N 2.91Å; A1184-Q1188 PolarHBondContact O-NE2 2.74Å
1185L93.1Very high92.8Very high13 Ų1365.6 Ų65.67%0.06835%0.347CS..Hα-helixtrans-77.6-32.3171.7-67177.1000112.9P1121 W1124 F1132 L1156 L1157 H1181 I1182 N1187 Q1188P1121-L1185 HydrophobicContact CB-CB 4.22Å; P1121-L1185 HydrophobicContact CG-CB 4.21Å; P1121-L1185 HydrophobicContact CG-CD2 4.13Å; W1124-L1185 HydrophobicContact CH2-CD1 3.65Å; W1124-L1185 HydrophobicContact CH2-CD2 3.58Å; W1124-L1185 HydrophobicContact CH2-CG 4.29Å; W1124-L1185 HydrophobicContact CZ2-CD2 4.25Å; W1124-L1185 HydrophobicContact CZ3-CD1 3.58Å; W1124-L1185 HydrophobicContact CZ3-CD2 4.38Å; F1132-L1185 HydrophobicContact CD1-CD1 4.35Å; F1132-L1185 HydrophobicContact CE1-CD1 3.64Å; F1132-L1185 HydrophobicContact CE2-CD1 4.13Å; F1132-L1185 HydrophobicContact CE2-CD2 4.42Å; F1132-L1185 HydrophobicContact CZ-CD1 3.5Å; F1132-L1185 HydrophobicContact CZ-CD2 4.41Å; F1132-L1185 HydrophobicContact CZ-CG 4.05Å; L1156-L1185 HydrophobicContact CD2-CD1 4.13Å; L1157-L1185 HydrophobicContact CD2-CB 4.01Å; H1181-L1185 WeakPolarHBondContact O-CG 3.49Å; H1181-L1185 PolarHBondContact O-N 3.28Å; I1182-L1185 WeakPolarHBondContact O-CA 3.03Å; I1182-L1185 WeakPolarHBondContact O-CB 3.44Å; I1182-L1185 PolarHBondContact O-N 2.75Å; L1185-N1187 PolarHBondContact O-N 2.94Å; L1185-Q1188 PolarHBondContact O-N 2.65Å
1186K90.6Very high92.5Very high109 Ų10970.6 Ų70.647%0.47437%0.374SS..THydrogen-bonded Turntrans-74.6-5.1177.8-67.4176.776.5159.20114.3L1157 I1182L1157-K1186 HydrophobicContact CB-CD 4.43Å; L1157-K1186 HydrophobicContact CB-CG 4.29Å; L1157-K1186 HydrophobicContact CD2-CD 4.4Å; L1157-K1186 HydrophobicContact CD2-CG 3.52Å; L1157-K1186 HydrophobicContact CG-CG 4.45Å; L1157-K1186 WeakPolarHBondContact O-CD 3.37Å; L1157-K1186 WeakPolarHBondContact O-CE 3.39Å; L1157-K1186 PolarHBondContact O-NZ 2.72Å; I1182-K1186 HydrophobicContact CG2-CD 3.87Å; I1182-K1186 HydrophobicContact CG2-CG 4.33Å; I1182-K1186 WeakPolarHBondContact O-CG 2.92Å; I1182-K1186 PolarHBondContact O-N 2.78Å
1187N83.8Confident92.1Very high141 Ų14169.8 Ų69.875%0.75437%0.37SS*.THydrogen-bonded Turntrans-115.517.9178.3-62.6-25.8000111.8N1183 L1185N1183-N1187 VanDerWaalsContact O-CG 3.3Å; N1183-N1187 PolarHBondContact O-ND2 3.5Å; L1185-N1187 PolarHBondContact O-N 2.94Å
1188Q72.8Confident91.7Very high191 Ų19167.9 Ų67.989%0.89337%0.368SS*.  trans-114.10171.1-79.9168.783.100109A1184 L1185A1184-Q1188 PolarHBondContact O-NE2 2.74Å; L1185-Q1188 PolarHBondContact O-N 2.65Å

Retrieved 1,188 of 1,188 residues in 107.9 ms (Link to these results)