A0A061I216_CRIGR Loading...

Forkhead box N4

AlphaFold DB , UniProt , Accession A0A061I216, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Foxn4, Length 517 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.5Very low38.7Very low227 Ų227152.7 Ų152.7100%1.11881%0.81SS**  0108.40-65.5134.168.400106.2
2I37.1Very low38.2Very low147 Ų147146.6 Ų146.675%0.75481%0.81SS**  cis93.4109.537.7-61.8170.9000112.3
3Q36.3Very low37.8Very low184 Ų184148.8 Ų148.886%0.8681%0.814SS**  trans73.1163.8153.5-76.4173.9-69.800122.2
4S44.2Very low37.9Very low92 Ų92150.3 Ų150.364%0.64382%0.818SS**  trans-134.3164.8-147.8-290000111.3
5D47.2Very low37.7Very low151 Ų151155.7 Ų155.781%0.80782%0.822SS**  trans69.5169.2147.6-64.1-51.4000121.3
6I41.4Very low37.5Very low161 Ų161153.7 Ų153.783%0.82682%0.824SS**  trans98.3108.7163.1-53.7173.4000117.6
7L38.7Very low37.3Very low159 Ų159152.2 Ų152.283%0.83283%0.828SS**  trans-77.4157.3152.8-88.389.9000109.6
8P48.7Very low36.9Very low109 Ų109147.3 Ų147.371%0.70882%0.82SS**  -161-173.650.143.8-20.7000119.4
9K33Very low36.6Very low181 Ų181148.6 Ų148.679%0.78782%0.824SS**  trans52.8136141.2-90.5-177.2171.7-178.10124.5
10M29.2Very low36.5Very low151 Ų151146.4 Ų146.474%0.74482%0.819SS**  trans91.2106.6135.8-75.117263.200123.3
11S33Very low36.3Very low118 Ų118147.2 Ų147.283%0.82582%0.816SS**  67.6119.5121.2-56.10000124.1
12G31.9Very low35.9Very low79 Ų79144.8 Ų144.881%0.81480%0.802SS**  trans126.2149.4145.900000115.9
13M33.2Very low35.5Very low175 Ų175148.4 Ų148.486%0.86281%0.806SS**  cis-169.7110.9-11.4172.4-175.560.500111.3
14I39.2Very low35.4Very low170 Ų170144.9 Ų144.987%0.87280%0.801SS**  trans-151.9138.8157.7-51.3-179.9000107.7
15R35Very low35.4Very low232 Ų232146.1 Ų146.188%0.87581%0.807SS**  cis167.883.5-30178.6-165.1-169.7-1665.3106.4
16S34.3Very low34.8Very low123 Ų123147.4 Ų147.486%0.8681%0.809SS**  trans-166.8109.6160.245.40000113
17S34.2Very low34.2Very low128 Ų128146.7 Ų146.790%0.89580%0.802SS**  trans-89.6161.7161.7-49.40000109
18G31Very low33.9Very low65 Ų65150.3 Ų150.367%0.6781%0.806SS**  cis169.6-153.51.600000110.6
19L31Very low33.2Very low171 Ų171155.8 Ų155.890%0.89581%0.812SS**  trans68.6100.7176-74.580.7000118
20S33.9Very low33.1Very low104 Ų104155 Ų15573%0.72782%0.816SS**  trans-88151.3139.751.10000109.7
21H32.7Very low33.5Very low165 Ų165154.7 Ų154.776%0.76482%0.817SS**  trans-177.2145.7150.5-101.6-62.2000115.6
22H29.6Very low33.9Very low175 Ų175154.7 Ų154.781%0.8181%0.814SS**  trans74.3170.8150.3-81.9-69.5000123.7
23R27.6Very low34Very low224 Ų224155.8 Ų155.885%0.84581%0.805SS**  trans-160.6138.7-148.3170-171.5178.7-164.71111.2
24S34.8Very low33.8Very low109 Ų109156.2 Ų156.276%0.76281%0.807SS**  trans67.9167172.288.90000114.6
25P44.5Very low33.5Very low119 Ų119151.7 Ų151.777%0.77380%0.802SS**  cis-119.1-164.323.843.7-31.1000116.2
26Q33.6Very low33.6Very low178 Ų178148 Ų14883%0.83280%0.8SS**  trans-82.7-178.7175.6-53.3152.3-7200110.2
27E29.6Very low34.1Very low146 Ų146149.8 Ų149.868%0.68280%0.8SS**  cis-142.6174.411.1-58.2179.1104.100110.6
28Y32.5Very low34.2Very low235 Ų235150.9 Ų150.992%0.92280%0.796SS**  -176.6164.1122.5-83.7-51.5000110.1
29R33.1Very low34.8Very low223 Ų223155.5 Ų155.584%0.84280%0.804SS**  trans-133.9145.2-155.9160.4-168.1-80.5147.2-6.9112.4
30L32Very low35.4Very low166 Ų166153 Ų15387%0.86980%0.798SS**  trans-176.4161.5133-98.6166.1000113
31L36.3Very low36Very low144 Ų144151.4 Ų151.475%0.75480%0.798SS**  trans-122.8154.8-176.1-113.3166.6000109
32P42.8Very low36.7Very low118 Ų118149.9 Ų149.977%0.76680%0.796SS**  -149.1-169.980.938.2-19.1000114.4
33T32Very low37.4Very low102 Ų102148.8 Ų148.863%0.62680%0.795SS**  cis-176151.1-45.6-67.90000107.3
34M31.1Very low38.4Very low183 Ų183146.4 Ų146.490%0.90179%0.793SS**  trans91.8132.3172.7-56.4-54.9-170.400118.6
35G30.9Very low38.9Very low75 Ų75145 Ų14577%0.77378%0.784SS**  trans136.979.7167.800000113.8
36D38.2Very low39.1Very low154 Ų154144.6 Ų144.682%0.82478%0.775SS**  trans-85-179.6171.4-73.8-91.4000112
37D44.7Very low39.9Very low162 Ų162140 Ų14087%0.86676%0.762SS**  trans67.883.8177.1-64.6-57.7000117.6
38D36.1Very low40.7Very low151 Ų151142.3 Ų142.381%0.80776%0.764SS**  -167.3136106.6-156-75.9000110
39L44.2Very low41.5Very low162 Ų162136.4 Ų136.485%0.84875%0.748SS**  trans-138.6122.1-177.4-147.687.1000111.6G41L39-G41 PolarHBondContact O-N 3.08Å
40P43.3Very low42.3Very low117 Ų117131.3 Ų131.376%0.7674%0.742SS**  trans-78.590.8-16529.6-36.7000114.8D42P40-D42 VanDerWaalsContact C-N 3.31Å; P40-D42 PolarHBondContact O-N 3.45Å
41G45.7Very low42.9Very low71 Ų71128 Ų12873%0.73273%0.733SS**SBend63.1-27.9126.700000122.8L39 L43L39-G41 PolarHBondContact O-N 3.08Å; G41-L43 PolarHBondContact O-N 3.37Å
42D47.7Very low43.6Very low133 Ų133126.3 Ų126.371%0.71173%0.728SS**THydrogen-bonded Turntrans-102.529.8-158.2-158.326.3000115.6P40P40-D42 VanDerWaalsContact C-N 3.31Å; P40-D42 PolarHBondContact O-N 3.45Å
43L45.9Very low43.8Very low153 Ų153125.1 Ų125.180%0.80172%0.716SS**THydrogen-bonded Turntrans-119.3-2.9175.8-72.9177.6000115.1G41 S45G41-L43 PolarHBondContact O-N 3.37Å; L43-S45 VanDerWaalsContact C-N 3.34Å
44Q48.5Very low45Very low173 Ų173124.7 Ų124.781%0.80871%0.713SS**G310 helixtrans-76.3-21.1174.9-72.2-173.5-14.200113.4L46 S47Q44-L46 PolarHBondContact O-N 3.29Å; Q44-S47 PolarHBondContact O-N 3.21Å
45S44.2Very low45.9Very low81 Ų81120.6 Ų120.657%0.56670%0.699SS**G310 helixtrans-66.7-1.8-175.2-55.30000115.9L43 W48L43-S45 VanDerWaalsContact C-N 3.34Å; S45-W48 VanDerWaalsContact O-CD1 3.3Å; S45-W48 PolarHBondContact O-NE1 3.27Å
46L48.9Very low46.7Very low110 Ų110125.2 Ų125.258%0.57669%0.693SS**G310 helixtrans-105.9-2.1179.3-64.8177.2000114.4Q44 W48 L49Q44-L46 PolarHBondContact O-N 3.29Å; L46-W48 PolarHBondContact O-N 3.48Å; L46-W48 VanDerWaalsContact O-N 3.13Å; L46-L49 PolarHBondContact O-N 3.38Å; L46-L49 VanDerWaalsContact O-N 3.16Å
47S51.3Low47.4Very low80 Ų80123.2 Ų123.256%0.55968%0.682SS**G310 helixtrans-58.2-29.1-176-166.80000114.2Q44 L49 S51Q44-S47 PolarHBondContact O-N 3.21Å; S47-L49 PolarHBondContact O-N 3.06Å; S47-L49 VanDerWaalsContact O-N 3.16Å; S47-S51 PolarHBondContact O-OG 2.97Å
48W46.3Very low47.7Very low195 Ų195122.1 Ų122.174%0.73967%0.672SS**G310 helixtrans-67.8-12.2-179.766.5-89.6000114.9S45 L46S45-W48 VanDerWaalsContact O-CD1 3.3Å; S45-W48 PolarHBondContact O-NE1 3.27Å; L46-W48 PolarHBondContact O-N 3.48Å; L46-W48 VanDerWaalsContact O-N 3.13Å
49L47.5Very low48.5Very low111 Ų111122.5 Ų122.558%0.58167%0.669SS**G310 helixtrans-98.4-1.5-171.9-121.6161.5000114.3L46 S47L46-L49 PolarHBondContact O-N 3.38Å; L46-L49 VanDerWaalsContact O-N 3.16Å; S47-L49 PolarHBondContact O-N 3.06Å; S47-L49 VanDerWaalsContact O-N 3.16Å
50T50.6Low48.8Very low117 Ų117121.3 Ų121.372%0.71866%0.661SS**THydrogen-bonded Turntrans-130.8-1.9-179.358.90000115.3V52T50-V52 VanDerWaalsContact C-N 3.31Å; T50-V52 PolarHBondContact O-N 3.39Å
51S45.8Very low49.1Very low96 Ų96119.8 Ų119.867%0.67166%0.658SS**  trans-75.675.9178.9-63.80000112.9S47 D53S47-S51 PolarHBondContact O-OG 2.97Å; S51-D53 PolarHBondContact O-N 2.95Å
52V50.9Low49.3Very low109 Ų109121.5 Ų121.566%0.66166%0.659SS**  trans-73.8117.5161.7178.90000108.3T50 V54T50-V52 VanDerWaalsContact C-N 3.31Å; T50-V52 PolarHBondContact O-N 3.39Å; V52-V54 VanDerWaalsContact C-N 3.33Å; V52-V54 PolarHBondContact O-N 2.76Å
53D45.3Very low49.1Very low93 Ų93118.4 Ų118.450%0.49766%0.658SS.*  trans-7678.4-177.3-173.512.8000111.4S51 P55 R56 L57S51-D53 PolarHBondContact O-N 2.95Å; D53-P55 VanDerWaalsContact C-CD 3.49Å; D53-R56 HydrophobicContact CB-CB 4.3Å; D53-R56 PolarHBondContact O-N 2.92Å; D53-R56 VanDerWaalsContact O-N 3.09Å; D53-R56 WeakPolarHBondContact OD2-CB 3.3Å; D53-R56 WeakPolarHBondContact OD2-CD 3.26Å; D53-L57 PolarHBondContact O-N 3.25Å
54V57.2Low48.7Very low93 Ų93122.1 Ų122.156%0.56466%0.662SS**Hα-helixtrans-52.9-44.4-173-1790000113.8V52 R56 L57 Q58V52-V54 VanDerWaalsContact C-N 3.33Å; V52-V54 PolarHBondContact O-N 2.76Å; V54-R56 VanDerWaalsContact C-N 3.26Å; V54-R56 PolarHBondContact O-N 3.27Å; V54-L57 PolarHBondContact O-N 3.21Å; V54-Q58 PolarHBondContact O-N 3.49Å
55P51.3Low48.3Very low96 Ų96121.5 Ų121.562%0.62366%0.662SS**Hα-helixtrans-56.9-38.1177.2-26.135.8000113.5D53 Q58 Q59D53-P55 VanDerWaalsContact C-CD 3.49Å; P55-Q58 PolarHBondContact O-N 3.2Å; P55-Q59 PolarHBondContact O-N 2.96Å
56R47.1Very low47.7Very low172 Ų172125.1 Ų125.165%0.64968%0.675SS**Hα-helixtrans-73-30.4-177.8-167.7173.4-176173.31.6112.9D53 V54D53-R56 HydrophobicContact CB-CB 4.3Å; D53-R56 PolarHBondContact O-N 2.92Å; D53-R56 VanDerWaalsContact O-N 3.09Å; D53-R56 WeakPolarHBondContact OD2-CB 3.3Å; D53-R56 WeakPolarHBondContact OD2-CD 3.26Å; V54-R56 VanDerWaalsContact C-N 3.26Å; V54-R56 PolarHBondContact O-N 3.27Å
57L52.4Low47.1Very low112 Ų112127.8 Ų127.859%0.58669%0.689SS**Hα-helixtrans-71.5-38.7173-174.259.8000111.5D53 V54 Q59 M60D53-L57 PolarHBondContact O-N 3.25Å; V54-L57 PolarHBondContact O-N 3.21Å; L57-Q59 VanDerWaalsContact C-N 3.29Å; L57-Q59 PolarHBondContact O-N 2.84Å; L57-M60 HydrophobicContact CD1-CE 4.2Å; L57-M60 PolarHBondContact O-N 3.32Å
58Q50.8Low46.2Very low139 Ų139127.8 Ų127.865%0.6570%0.702SS**Hα-helixtrans-66.3-31.8178.7-166.5154.717.100112.5V54 P55 M60 A61V54-Q58 PolarHBondContact O-N 3.49Å; P55-Q58 PolarHBondContact O-N 3.2Å; Q58-M60 VanDerWaalsContact C-N 3.26Å; Q58-M60 PolarHBondContact O-N 3.09Å; Q58-A61 PolarHBondContact O-N 3.03Å
59Q54.6Low45.6Very low159 Ų159124.4 Ų124.474%0.74371%0.708SS**Hα-helixtrans-65.2-24.6175.1-163.9172.815.900113.8P55 L57P55-Q59 PolarHBondContact O-N 2.96Å; L57-Q59 VanDerWaalsContact C-N 3.29Å; L57-Q59 PolarHBondContact O-N 2.84Å
60M49.8Very low45.5Very low137 Ų137124.8 Ų124.868%0.67572%0.717SS**Hα-helixtrans-84.3-15.8175.2-70.7-177-78.100113.5L57 Q58L57-M60 HydrophobicContact CD1-CE 4.2Å; L57-M60 PolarHBondContact O-N 3.32Å; Q58-M60 VanDerWaalsContact C-N 3.26Å; Q58-M60 PolarHBondContact O-N 3.09Å
61A48.3Very low44.5Very low86 Ų86125.2 Ų125.271%0.71173%0.725SS**Hα-helixtrans-82.1-21-17700000114.2Q58Q58-A61 PolarHBondContact O-N 3.03Å
62S50.3Low43.9Very low107 Ų107129 Ų12975%0.74873%0.734SS**THydrogen-bonded Turntrans-93.39.2-178-59.80000114.5R64S62-R64 PolarHBondContact O-N 3.03Å
63G44.6Very low43.8Very low68 Ų68128.8 Ų128.870%0.70174%0.735SS**  trans-91.350.7-170.400000116.5
64R36.9Very low43Very low230 Ų230132 Ų13287%0.86875%0.746SS**  trans-155140.9169.7-139176.4-173.3-1782114S62S62-R64 PolarHBondContact O-N 3.03Å
65I40.1Very low42.6Very low161 Ų161133.3 Ų133.383%0.82676%0.757SS**  trans56.4115.4-177.965167.6000114.4
66D32.7Very low41.6Very low157 Ų157136.5 Ų136.584%0.8476%0.764SS**  -150.3173.478.2-142.5-30.9000114.4
67L35.8Very low41.6Very low166 Ų166134 Ų13487%0.86977%0.769SS**  trans-118.4121.8170.5-81.483000110.6
68G31.4Very low40.5Very low79 Ų79132.4 Ų132.481%0.81478%0.78SS**  trans-172.3128.5172.900000114.9
69S33.5Very low39.5Very low124 Ų124131 Ų13187%0.86779%0.785SS**  trans-79.6159.3173.7-69.20000112.2
70P45.8Very low38.5Very low120 Ų120131.1 Ų131.178%0.77979%0.79SS**  trans-94.1162.8-163.636.7-37.6000115.4
71S29.2Very low37.6Very low126 Ų126129.5 Ų129.588%0.88180%0.799SS**  trans141.6159.4144.562.50000114.4
72M33.8Very low36.7Very low174 Ų174128.9 Ų128.986%0.85780%0.801SS**  trans-114.3172.9-167.2-80.3-89.4-168.100111
73P48.2Very low35.7Very low106 Ų106128.8 Ų128.869%0.68881%0.806SS**  cis-133.8-168.8-16.429.4-5.5000114.6
74H30.1Very low35.2Very low159 Ų159129.7 Ų129.774%0.73681%0.808SS**  trans-24.8160.4161.9-66.1-66.2000119.7
75P47.1Very low34.9Very low122 Ų122125.4 Ų125.479%0.79280%0.802SS**  cis-145.6-172.13343-21.7000119.9
76H31.5Very low34.8Very low163 Ų163124.7 Ų124.776%0.75580%0.799SS**  trans-62.6-176.8174.9-64.4-88.2000116.6
77P47.3Very low34.8Very low118 Ų118124 Ų12477%0.76680%0.796SS**  cis-141.3162.4-42.936.9-20000116.2
78G29Very low34.7Very low79 Ų79122.4 Ų122.481%0.81479%0.792SS**  trans73.2177.6156.800000117.2
79S30.5Very low34.6Very low109 Ų109121.8 Ų121.876%0.76279%0.786SS**  cis-164.3153-15.8-166.20000111.3
80L32.5Very low34.5Very low162 Ų162120.3 Ų120.385%0.84878%0.781SS**  trans66.8141.9161.7-76.5162.1000121.9
81A30.8Very low33.8Very low103 Ų103120.6 Ų120.685%0.85178%0.781SS**  trans64141.115900000120.1
82G29.7Very low33.9Very low73 Ų73120 Ų12075%0.75378%0.777SS**  cis164.7171.4-12.600000116.1
83A30Very low33.9Very low105 Ų105120.5 Ų120.587%0.86878%0.776SS**  trans77.6157.8160.500000120.6
84A33.9Very low34.4Very low88 Ų88120.6 Ų120.673%0.72778%0.777SS**  trans66.8140.1174.200000118.2
85D30.7Very low34.6Very low140 Ų140119.9 Ų119.975%0.74978%0.778SS**  cis-158.8163.2-22.4-119.4-42000114.1
86L37.3Very low34.1Very low146 Ų146121.6 Ų121.676%0.76478%0.78SS**  trans16.9110.2156.7-65.9164.3000122.8
87N32.1Very low34.1Very low143 Ų143125.2 Ų125.277%0.76579%0.787SS**  63.7156112-159.326.3000123.1
88V34.1Very low33.2Very low131 Ų131122.6 Ų122.679%0.79478%0.781SS**  trans74.3135.1170.6-165.30000116
89G29.3Very low33.4Very low66 Ų66128.3 Ų128.368%0.6879%0.787SS**  cis163.2155.5-10.700000114.7
90A31.3Very low33.4Very low93 Ų93127.2 Ų127.277%0.76978%0.784SS**  trans63103.4157.400000122.7
91T31.4Very low33.4Very low126 Ų126124.1 Ų124.177%0.77378%0.782SS**  56.3130.212662.10000125.3
92S31Very low33.6Very low114 Ų114128.1 Ų128.180%0.79779%0.785SS**  trans81.7149136.955.60000123.6
93H33.8Very low34.1Very low184 Ų184128.7 Ų128.785%0.85278%0.783SS**  trans-79.6-168174.9-42.3-110.2000112.3
94P59.9Low35.2Very low109 Ų109129.1 Ų129.171%0.70878%0.777SS**  cis-139.9-159.8-8.532.7-7.3000115.1
95L33.9Very low35.4Very low144 Ų144135.8 Ų135.875%0.75478%0.783SS**  trans85.5108.4150.2-72.2164.9000123.5
96L36.4Very low35.6Very low157 Ų157132.5 Ų132.582%0.82278%0.782SS**  57.8129119.8-113.9165.7000123.5
97R30.2Very low35.5Very low239 Ų239131.8 Ų131.890%0.90278%0.776SS**  trans109124.6131.9-161-179-168.1170.64.3120
98G29.2Very low35.6Very low63 Ų63132.8 Ų132.865%0.64978%0.781SS**  trans141.4124.2133.700000120.5
99Q32.5Very low35.5Very low200 Ų200129.6 Ų129.694%0.93577%0.774SS**  trans65.7158.6141.4-67.5-179.3-0.900119.7
100A31.7Very low35.8Very low86 Ų86135.4 Ų135.471%0.71179%0.789SS**  cis-168.7178.5-22.800000110.4
101A32.4Very low35.6Very low97 Ų97134.2 Ų134.280%0.80279%0.786SS**  trans69.1157.5164.200000117.6
102M34.8Very low36.7Very low186 Ų186133.9 Ų133.992%0.91679%0.786SS**  cis-159.8160.6-19.2-105.9-72-164.700108
103A40.1Very low36.7Very low86 Ų86139.9 Ų139.971%0.71179%0.791SS**  trans-131.6162.1171.300000110.6
104P54.2Low36.5Very low114 Ų114135.9 Ų135.974%0.7479%0.79SS**  -157.2145.211835.6-16.3000118.9
105R37.8Very low35.1Very low228 Ų228136.6 Ų136.686%0.8680%0.797SS**  trans60.2150.1139.7-58.7168.2101.1135.32119.5
106G33.9Very low34.9Very low70 Ų70134.1 Ų134.172%0.72280%0.798SS**  cis-178.8-173.2-1.500000109.5
107M34.9Very low34.5Very low131 Ų131135.3 Ų135.365%0.64580%0.799SS**  cis-156.8145.811.8-85-89.161.200111.7
108L35.8Very low34.5Very low165 Ų165132.6 Ų132.686%0.86480%0.797SS**  trans55.6144.7150.2-55.9173.1000121
109G30.4Very low34.5Very low63 Ų63137.6 Ų137.665%0.64981%0.805SS**  cis165.9177.7-6.700000114.4
110L35.6Very low34.3Very low188 Ų188134.6 Ų134.698%0.98480%0.795SS**  trans80152.7171-52.6176.6000120
111G27.7Very low34.1Very low68 Ų68134 Ų13470%0.70179%0.786SS**  trans-157.9-152.7168.800000107.2
112P54.5Low34Very low119 Ų119138.7 Ų138.777%0.77379%0.788SS**  cis-137.2-168.3-11.239.5-19.3000114.3
113R30.8Very low34.1Very low241 Ų241136 Ų13691%0.90979%0.785SS**  trans73.3155.9174.2-50.5170.479171.63.5114
114A30.8Very low33.6Very low100 Ų100140.2 Ų140.283%0.82679%0.794SS**  cis-147.3-172.61500000112.9
115S28.9Very low32.4Very low124 Ų124138.7 Ų138.787%0.86780%0.798SS**  trans-104.3144-173.7-43.90000115
116A29.8Very low31.9Very low92 Ų92131.1 Ų131.176%0.7679%0.792SS**  trans-169.8125.8147.200000106.1
117E28.4Very low31.6Very low181 Ų181136.7 Ų136.785%0.84680%0.799SS**  cis82.4134.148.6-71.7-151.391.600116.1
118Q31.1Very low31.3Very low183 Ų183135.7 Ų135.786%0.85581%0.805SS**  trans60121.2175.5-78.9169.2-18.600118.6
119M28Very low31.2Very low168 Ų168132.2 Ų132.283%0.82880%0.8SS**  cis96.6145.627.7-17070157.100113.5
120N29.4Very low31.5Very low137 Ų137135 Ų13573%0.73381%0.81SS**  trans71.4152.4176-77.3-0.8000118.3
121S26.6Very low32.3Very low72 Ų72131.3 Ų131.350%0.50380%0.797SS.*  cis-176.4148.6-24.952.60000111.3
122F30.8Very low32.7Very low196 Ų196133.8 Ų133.886%0.8680%0.803SS**  trans65.7144.1167.8-48.7-72.6000119.2
123P36.6Very low31.6Very low131 Ų131131.2 Ų131.285%0.85180%0.799SS**  trans-111.1159.7145.536.6-29.3000111.9
124I30.4Very low31.9Very low174 Ų174127.6 Ų127.689%0.89280%0.796SS**  trans-143140178.8-164.2170.1000110.8
125G28.4Very low31.9Very low81 Ų81130.5 Ų130.584%0.83579%0.793SS**  trans72169.3-175.900000114.5
126G26.9Very low32Very low70 Ų70130.9 Ų130.972%0.72278%0.781SS**  cis161.4142.7-9.300000113.5
127Q28.9Very low31.9Very low187 Ų187132.7 Ų132.787%0.87478%0.782SS**  trans74.9101.3163.6-49-163118.200120
128S28.8Very low32.9Very low109 Ų109130.2 Ų130.276%0.76278%0.782SS**  31.4104.1127.957.70000122.1
129A31.9Very low32.9Very low93 Ų93129.7 Ų129.777%0.76978%0.779SS**  47.4137112.300000123.7
130S37.8Very low32.9Very low122 Ų122128.8 Ų128.885%0.85378%0.777SS**  trans74.7160.4154.3-70.40000117
131P52.8Low32.8Very low109 Ų109132.4 Ų132.471%0.70878%0.782SS**  cis-145.6-174.329.345-25.1000119.5
132S34.8Very low32.8Very low121 Ų121134 Ų13485%0.84679%0.793SS**  trans74.7149.2154.5-57.80000120.8
133G32.6Very low33.6Very low65 Ų65130.9 Ų130.967%0.6779%0.793SS**  cis157.9153.4-1500000117
134L36.1Very low33.6Very low165 Ų165129 Ų12986%0.86479%0.787SS**  trans68.2164.1163.7-47-179.1000116.3
135Q31.6Very low33.7Very low160 Ų160127.6 Ų127.675%0.74879%0.787SS**  cis-146.7176.722.7-86.8-164.1-69.600110.5
136E30.5Very low34.9Very low133 Ų133129.4 Ų129.462%0.62178%0.784SS**  cis-178.4121.5-24.2-169.3155.3121.800106.9
137V28.7Very low35.1Very low130 Ų130133.6 Ų133.679%0.78879%0.79SS**  65.1137.1105.41740000114
138P48.3Very low35Very low129 Ų129133 Ų13384%0.83879%0.787SS**  -144.217364.639.9-18.3000120.3
139Q31.8Very low35.3Very low172 Ų172137.9 Ų137.980%0.80479%0.79SS**  trans-132156.7-176.1-100.1-78.8-9.500109.6
140L26.4Very low35.9Very low149 Ų149139.4 Ų139.478%0.7879%0.792SS**  trans-146.9113.8167-86.2179.1000113.9
141Y27.3Very low36Very low213 Ų213140.4 Ų140.484%0.83579%0.787SS**  trans78.7155.8145.5-92.3-110.6000123.4
142S28.6Very low35.6Very low104 Ų104140.8 Ų140.873%0.72779%0.79SS**  trans-143.1178.2-178.3-75.90000106.4
143P47.5Very low36.3Very low132 Ų132141 Ų14186%0.85779%0.788SS**  cis-135.8-155.316.342.9-21.9000114
144A35.3Very low36.4Very low90 Ų90141.1 Ų141.174%0.74479%0.789SS**  trans-140.5149.9-175.100000114.7
145T33.4Very low37Very low145 Ų145139.7 Ų139.789%0.8979%0.79SS**  trans-176.9172.9155.916.60000108.7
146P52.5Low37.3Very low119 Ų119140.2 Ų140.277%0.77379%0.792SS**  -121.9168.1-101.832.1-10.2000116
147L31.8Very low37.6Very low159 Ų159143 Ų14383%0.83281%0.805SS**  trans-153.8176.1166.9-114.3174.6000114.7
148Q27.1Very low38.1Very low175 Ų175142.1 Ų142.182%0.81880%0.803SS**  trans-89.2170-149.5-70.6154-7.600118.3
149Y34.1Very low38.2Very low211 Ų211141.9 Ų141.983%0.82780%0.802SS**  trans-63.4165166.2-74.7-95.4000113.8
150P46.1Very low39.1Very low124 Ų124139.8 Ų139.881%0.80580%0.803SS**  -137.2167.7103.826-7.6000115.8
151L38.7Very low39.5Very low144 Ų144138 Ų13875%0.75481%0.81SS**  trans-84.9167.2177.3-96.674.5000113.5
152P44.8Very low39.9Very low117 Ų117131.4 Ų131.476%0.7681%0.807SS**  -115.5154.7126.835.5-32.4000112.6
153P49.6Very low40.3Very low126 Ų126135.1 Ų135.182%0.81882%0.818SS**  trans-94149.2-169.935.9-35.5000115
154G34.6Very low40Very low66 Ų66140.1 Ų140.168%0.6882%0.821SS**  trans-112145159.800000111
155P48.5Very low39.9Very low136 Ų136139.5 Ų139.588%0.88382%0.823SS**  trans-78.1149-174.131.2-35.3000113.5
156Q38.1Very low40.3Very low170 Ų170138.2 Ų138.279%0.79482%0.82SS**  trans-83.6159.4173.2-60.2-17545.900112.5
157Q36.3Very low40.5Very low191 Ų191137.1 Ų137.189%0.89381%0.813SS**  -163.7131.6125.4-108148103.700112.7
158C38.7Very low40.8Very low112 Ų112139.1 Ų139.176%0.75782%0.815SS**  trans-120.3143.2165.1-65.30000108.7
159P50.5Low41.3Very low124 Ų124135 Ų13581%0.80581%0.812SS**PPolyproline II helixtrans-76.3151.5169.132.3-33.5000111.3
160P50.5Low41.5Very low129 Ų129129.8 Ų129.884%0.83881%0.812SS**PPolyproline II helixtrans-85.7157.7-172.334.4-36.5000113.9
161A34.9Very low41.4Very low110 Ų110134.4 Ų134.491%0.90981%0.813SS**PPolyproline II helixtrans-79.3148.8166.900000111.5
162G37.3Very low41.8Very low75 Ų75133.6 Ų133.677%0.77382%0.816SS**  trans-160.496172.300000111.9
163L35.9Very low41.6Very low183 Ų183131.8 Ų131.896%0.95881%0.807SS**  trans-148.7134.3164.6-102.2173000109
164Y40.9Very low41.3Very low237 Ų237137 Ų13793%0.92981%0.811SS**  trans-120.9140-176.5-160.6-86.6000107.8
165G34Very low42.1Very low76 Ų76139.4 Ų139.478%0.78482%0.815SS**  trans116.2109.4173.100000115.7
166S40.9Very low41.5Very low118 Ų118141.5 Ų141.583%0.82581%0.813SS**  trans-121.1165.3153.1-165.50000105.4
167P57.9Low41.8Very low97 Ų97137.3 Ų137.363%0.6381%0.808SS**  cis-132.4-178.2743.3-28.2000114.5
168F37.7Very low42.2Very low200 Ų200136.3 Ų136.388%0.87780%0.803SS**  -170.3134.8121.8-109-70.4000113.6
169A38Very low42.5Very low90 Ų90138.7 Ų138.774%0.74481%0.805SS**  trans56.6140.1151.800000124
170A38.4Very low42Very low100 Ų100136.6 Ų136.683%0.82680%0.798SS**  trans70.3102144.100000121.9
171R42.2Very low41.6Very low222 Ų222137.1 Ų137.184%0.83880%0.798SS**  trans-73.8165.6134.1-112.6-173.8163.3-175.5-4.4108.9
172P48.3Very low41.9Very low126 Ų126143.1 Ų143.182%0.81880%0.797SS**  cis-127.8170.93241-26.4000116.3
173S41.1Very low41.9Very low80 Ų80143.3 Ų143.356%0.55979%0.787SS**  trans-116.7113.9-179.254.80000111.5
174Y41.8Very low42.6Very low234 Ų234140.4 Ų140.492%0.91878%0.779SS**  trans-156.7165168.9-105.9-57.8000109.6
175P52.8Low42.6Very low117 Ų117137.6 Ų137.676%0.7678%0.775SS**  -106.6161.5-105.839.2-32.5000113.9
176Q36Very low43Very low180 Ų180140.3 Ų140.384%0.84177%0.771SS**  trans-137.4120.3164.5-170.8167.4-19.200111.2
177A44.7Very low43.3Very low82 Ų82142.1 Ų142.168%0.67877%0.771SS**  trans-79.3117171.500000109.4M179A177-M179 PolarHBondContact O-N 3.13Å
178H43.4Very low42.6Very low171 Ų171144.7 Ų144.779%0.79277%0.774SS**  trans-84.799.8176.6-151.7-71000110.1A180H178-A180 PolarHBondContact O-N 2.84Å
179M45.4Very low43.4Very low161 Ų161140.1 Ų140.179%0.79376%0.764SS**  trans-6798176.5-68.5-64.6-17600110.3A177 V181A177-M179 PolarHBondContact O-N 3.13Å; M179-V181 PolarHBondContact O-N 2.74Å
180A39Very low44.6Very low80 Ų80143 Ų14366%0.66176%0.76SS**  trans-78.898174.200000110.1H178 R182H178-A180 PolarHBondContact O-N 2.84Å; A180-R182 PolarHBondContact O-N 3.45Å
181V43.3Very low46.6Very low141 Ų141145.7 Ų145.786%0.85576%0.755SS**  trans-58.2110.5169.2176.90000108.5M179 S183M179-V181 PolarHBondContact O-N 2.74Å; V181-S183 PolarHBondContact O-N 2.88Å
182R40.7Very low48.8Very low235 Ų235137.6 Ų137.689%0.88773%0.725SS**  trans-85.4103.5175.3-71.7-171.6173.2-168.3-2.8109.5A180A180-R182 PolarHBondContact O-N 3.45Å
183S38.3Very low50.9Low79 Ų79134 Ų13455%0.55270%0.702SS**  trans-60.9151.716446.10000110.8V181 Q185V181-S183 PolarHBondContact O-N 2.88Å; S183-Q185 PolarHBondContact O-N 3.06Å
184P49.2Very low53.4Low122 Ų122136.3 Ų136.379%0.79270%0.702SS**  trans-63.3130.9175.326.9-33.8000110.1
185Q41.3Very low55.9Low179 Ų179125.6 Ų125.684%0.83666%0.661SS**  trans-102.2106.5177.8-75.2-86.4-40.300108.7S183S183-Q185 PolarHBondContact O-N 3.06Å
186D43.4Very low57.8Low132 Ų132122.3 Ų122.371%0.70664%0.636SS**  trans-76.5147-178.8-98.8-58.2000113.7H188D186-H188 PolarHBondContact O-N 2.91Å; D186-H188 VanDerWaalsContact O-N 3.08Å
187L45.5Very low60.7Low157 Ų157114.1 Ų114.182%0.82260%0.598SS**  trans50.938.2142-57.8173000120.3
188H45.1Very low63.1Low151 Ų151112.7 Ų112.770%0.69958%0.583SS**  trans-82.7126.7139.1-177.8-98000108.9D186 K190D186-H188 PolarHBondContact O-N 2.91Å; D186-H188 VanDerWaalsContact O-N 3.08Å; H188-K190 PolarHBondContact O-N 3.33Å
189P54.4Low65.7Low104 Ų104107 Ų10768%0.67556%0.555SS**  trans-61.597.7170.2-2133.4000109.8H191P189-H191 PolarHBondContact O-N 2.82Å
190K62.3Low68.1Low151 Ų151100 Ų10066%0.65752%0.521SS*.  trans-54.4109.3172.2-70.6177.6-177.3173.10107.3H188 Y192H188-K190 PolarHBondContact O-N 3.33Å; K190-Y192 HydrophobicContact CB-CD2 4.13Å; K190-Y192 HydrophobicContact CB-CE2 3.63Å; K190-Y192 WeakPolarHBondContact O-CD2 3.49Å; K190-Y192 WeakPolarHBondContact O-CE2 3.49Å; K190-Y192 PolarHBondContact O-N 3.49Å
191H80.3Confident70.8Confident156 Ų15696.2 Ų96.272%0.72249%0.49SS*.  trans-77.681.7-177.6-175.4-74.1000109P189P189-H191 PolarHBondContact O-N 2.82Å
192Y88.1Confident73.3Confident51 Ų5189.6 Ų89.620%0.245%0.45CS..PPolyproline II helixtrans-57.3122.2-179.9-69.9-86.3000109.8K190 P229 R296 M298K190-Y192 HydrophobicContact CB-CD2 4.13Å; K190-Y192 HydrophobicContact CB-CE2 3.63Å; K190-Y192 WeakPolarHBondContact O-CD2 3.49Å; K190-Y192 WeakPolarHBondContact O-CE2 3.49Å; K190-Y192 PolarHBondContact O-N 3.49Å; Y192-P229 HydrophobicContact CD1-CG 4.4Å; Y192-P229 HydrophobicContact CD2-CB 3.53Å; Y192-P229 HydrophobicContact CD2-CG 3.82Å; Y192-P229 HydrophobicContact CE1-CG 4.37Å; Y192-P229 HydrophobicContact CE2-CB 3.83Å; Y192-P229 HydrophobicContact CE2-CG 3.77Å; Y192-P229 HydrophobicContact CG-CB 4.06Å; Y192-P229 HydrophobicContact CG-CG 4.13Å; Y192-R296 WeakPolarHBondContact CD1-O 3.41Å; Y192-M298 WeakPolarHBondContact CE1-O 3.49Å
193P92.9Very high76Confident51 Ų5178.4 Ų78.433%0.33141%0.408SS..PPolyproline II helixtrans-63.815417628.6-35.3000110.4R296 S297P193-R296 VanDerWaalsContact CD-O 3.31Å; P193-R296 WeakPolarHBondContact CD-O 3.41Å; P193-R296 HydrophobicContact CG-CB 4.12Å; P193-S297 WeakPolarHBondContact O-CB 3.41Å
194K93.3Very high78.8Confident129 Ų12974.6 Ų74.656%0.56138%0.381SS*.PPolyproline II helixtrans-53128.5171.8-178.5176.7176.2-176.90109.8Y230K194-Y230 HydrophobicContact CB-CD1 4.24Å; K194-Y230 HydrophobicContact CB-CD2 4.23Å; K194-Y230 HydrophobicContact CB-CE1 3.9Å; K194-Y230 HydrophobicContact CB-CE2 3.89Å; K194-Y230 HydrophobicContact CB-CG 4.4Å; K194-Y230 HydrophobicContact CD-CE1 4.26Å; K194-Y230 HydrophobicContact CG-CD1 4.23Å; K194-Y230 HydrophobicContact CG-CE1 3.7Å
195P94Very high81Confident8 Ų868.8 Ų68.85%0.05234%0.344CS..PPolyproline II helixtrans-58.8141.8177.7-24.934.8000111.9Y197 L202 F228 F231P195-Y197 PolarHBondContact O-N 3.03Å; P195-L202 HydrophobicContact CB-CD2 4.35Å; P195-F228 HydrophobicContact CB-CD1 3.84Å; P195-F228 HydrophobicContact CB-CE1 4.18Å; P195-F228 HydrophobicContact CB-CG 4.49Å; P195-F228 HydrophobicContact CG-CB 3.72Å; P195-F228 HydrophobicContact CG-CD1 3.44Å; P195-F228 VanDerWaalsContact CG-CD1 3.44Å; P195-F228 HydrophobicContact CG-CE1 4.26Å; P195-F228 HydrophobicContact CG-CG 3.77Å; P195-F231 HydrophobicContact CG-CE2 3.94Å; P195-F231 HydrophobicContact CG-CZ 4.35Å
196I94.2Very high83.5Confident48 Ų4860.3 Ų60.325%0.24630%0.304CS..SBendtrans-74.2-16.7176.171.4178.9000112.5W286 D290 A293 I294I196-W286 HydrophobicContact CB-CE3 4.06Å; I196-W286 HydrophobicContact CB-CZ3 3.96Å; I196-W286 HydrophobicContact CD1-CE3 3.61Å; I196-W286 HydrophobicContact CD1-CZ3 4.09Å; I196-W286 HydrophobicContact CG1-CD2 4.47Å; I196-W286 HydrophobicContact CG1-CE3 3.73Å; I196-W286 HydrophobicContact CG1-CZ3 4.15Å; I196-D290 HydrophobicContact CD1-CB 3.9Å; I196-D290 WeakPolarHBondContact CD1-O 3.4Å; I196-A293 HydrophobicContact CD1-CB 4.24Å; I196-A293 HydrophobicContact CG2-CB 3.84Å; I196-I294 HydrophobicContact CD1-CD1 4.04Å; I196-I294 HydrophobicContact CD1-CG1 3.62Å; I196-I294 HydrophobicContact CG1-CD1 4.39Å; I196-I294 HydrophobicContact CG1-CG1 3.71Å
197Y95.1Very high86Confident8 Ų854.1 Ų54.13%0.03127%0.271CS..SBendtrans-64.8138.1174.3-79.2-59.8000111.9P195 C201 M205 F228 M283 W286 I294 L304 I308P195-Y197 PolarHBondContact O-N 3.03Å; Y197-C201 HydrophobicContact CD1-CB 3.58Å; Y197-C201 HydrophobicContact CE1-CB 4.43Å; Y197-C201 HydrophobicContact CG-CB 4.11Å; Y197-M205 HydrophobicContact CD1-CE 4.45Å; Y197-M205 HydrophobicContact CD2-CE 3.67Å; Y197-M205 HydrophobicContact CE2-CE 3.94Å; Y197-M205 HydrophobicContact CE2-SD 4.31Å; Y197-M205 HydrophobicContact CG-CE 3.96Å; Y197-F228 HydrophobicContact CD2-CE1 4.39Å; Y197-F228 HydrophobicContact CD2-CZ 4.33Å; Y197-M283 HydrophobicContact CE1-CB 4.48Å; Y197-M283 PolarHBondContact OH-O 3.4Å; Y197-W286 HydrophobicContact CD1-CB 3.84Å; Y197-W286 HydrophobicContact CD1-CG 4.17Å; Y197-W286 HydrophobicContact CE1-CB 3.47Å; Y197-W286 VanDerWaalsContact CE1-CB 3.47Å; Y197-W286 HydrophobicContact CE1-CG 4.26Å; Y197-I294 HydrophobicContact CD2-CG1 4.31Å; Y197-I294 HydrophobicContact CD2-CG2 4.33Å; Y197-I294 HydrophobicContact CE2-CB 4.39Å; Y197-I294 HydrophobicContact CE2-CD1 3.76Å; Y197-I294 HydrophobicContact CE2-CG1 3.81Å; Y197-I294 HydrophobicContact CE2-CG2 3.63Å; Y197-I294 WeakPolarHBondContact OH-CD1 3.48Å; Y197-L304 HydrophobicContact CE2-CD1 4.12Å; Y197-I308 WeakPolarHBondContact OH-CD1 3.48Å
198S95.9Very high88.2Confident53 Ų5347.2 Ų47.237%0.37123%0.234SC..  trans-66156.9170.472.80000111.1S200 C201 L202S198-S200 PolarHBondContact O-N 2.86Å; S198-S200 VanDerWaalsContact O-N 3.16Å; S198-C201 WeakPolarHBondContact O-CB 3.26Å; S198-C201 PolarHBondContact O-N 3.29Å; S198-C201 PolarHBondContact OG-N 2.84Å; S198-C201 PolarHBondContact OG-SG 2.97Å; S198-C201 VanDerWaalsContact OG-SG 3.34Å; S198-L202 WeakPolarHBondContact O-CG 3.13Å; S198-L202 PolarHBondContact O-N 3.27Å
199Y97.1Very high90.4Very high51 Ų5142.7 Ų42.720%0.222%0.219CC..Hα-helixtrans-53.2-36.5173.7-71-64.8000112.5L202 I203 M224 F231 W238 V242Y199-L202 HydrophobicContact CD1-CD1 4.39Å; Y199-L202 PolarHBondContact O-N 3.16Å; Y199-I203 WeakPolarHBondContact O-CB 3.36Å; Y199-I203 WeakPolarHBondContact O-CD1 3.41Å; Y199-I203 WeakPolarHBondContact O-CG1 3.44Å; Y199-I203 PolarHBondContact O-N 2.93Å; Y199-M224 HydrophobicContact CD1-CE 4.05Å; Y199-M224 HydrophobicContact CE1-CE 4.18Å; Y199-F231 HydrophobicContact CE1-CE1 4Å; Y199-F231 HydrophobicContact CE1-CZ 4.32Å; Y199-W238 HydrophobicContact CE1-CB 4.35Å; Y199-V242 HydrophobicContact CD1-CG2 3.93Å; Y199-V242 HydrophobicContact CE1-CG2 4.34Å
200S96.6Very high92.2Very high13 Ų1338.4 Ų38.49%0.09119%0.192CC..Hα-helixtrans-62.7-42173.6-70.70000112.9S198 A204 N245 N249 F252S198-S200 PolarHBondContact O-N 2.86Å; S198-S200 VanDerWaalsContact O-N 3.16Å; S200-A204 WeakPolarHBondContact O-CB 3.43Å; S200-A204 PolarHBondContact O-N 3.49Å; S200-N245 PolarHBondContact N-OD1 3.34Å; S200-N245 PolarHBondContact OG-OD1 3.27Å; S200-N249 PolarHBondContact OG-ND2 3.08Å; S200-F252 WeakPolarHBondContact O-CZ 3.47Å
201C96.1Very high93.4Very high1 Ų141.4 Ų41.41%0.00721%0.205CC..Hα-helixtrans-66.2-38.3174.5-62.20000112Y197 S198 A204 M205 M283Y197-C201 HydrophobicContact CD1-CB 3.58Å; Y197-C201 HydrophobicContact CE1-CB 4.43Å; Y197-C201 HydrophobicContact CG-CB 4.11Å; S198-C201 WeakPolarHBondContact O-CB 3.26Å; S198-C201 PolarHBondContact O-N 3.29Å; S198-C201 PolarHBondContact OG-N 2.84Å; S198-C201 PolarHBondContact OG-SG 2.97Å; S198-C201 VanDerWaalsContact OG-SG 3.34Å; C201-A204 PolarHBondContact O-N 2.81Å; C201-M205 WeakPolarHBondContact O-CE 3.32Å; C201-M205 PolarHBondContact O-N 3.31Å; C201-M283 HydrophobicContact CB-CG 4.07Å
202L96.4Very high93.7Very high2 Ų238.8 Ų38.81%0.0120%0.2CC..Hα-helixtrans-65.6-42.6178-65.4167.7000112P195 S198 Y199 M205 A206 M224 F228 F231P195-L202 HydrophobicContact CB-CD2 4.35Å; S198-L202 WeakPolarHBondContact O-CG 3.13Å; S198-L202 PolarHBondContact O-N 3.27Å; Y199-L202 HydrophobicContact CD1-CD1 4.39Å; Y199-L202 PolarHBondContact O-N 3.16Å; L202-M205 HydrophobicContact CD2-CE 3.91Å; L202-A206 PolarHBondContact O-N 2.93Å; L202-M224 HydrophobicContact CB-CG 4.45Å; L202-M224 HydrophobicContact CB-SD 4.49Å; L202-M224 HydrophobicContact CD1-CE 4.2Å; L202-F228 HydrophobicContact CD2-CD1 4.38Å; L202-F228 HydrophobicContact CD2-CD2 3.66Å; L202-F228 HydrophobicContact CD2-CE1 4.15Å; L202-F228 HydrophobicContact CD2-CE2 3.42Å; L202-F228 VanDerWaalsContact CD2-CE2 3.42Å; L202-F228 HydrophobicContact CD2-CG 4.15Å; L202-F228 HydrophobicContact CD2-CZ 3.68Å; L202-F231 HydrophobicContact CD1-CE2 3.86Å; L202-F231 HydrophobicContact CD1-CZ 3.68Å
203I97Very high93.7Very high0 Ų036.8 Ų36.80%020%0.195CC..Hα-helixtrans-63.4-43.1172.8-67.9160.3000110.5Y199 M205 A206 L207 I220 V242 N245 L246 F252Y199-I203 WeakPolarHBondContact O-CB 3.36Å; Y199-I203 WeakPolarHBondContact O-CD1 3.41Å; Y199-I203 WeakPolarHBondContact O-CG1 3.44Å; Y199-I203 PolarHBondContact O-N 2.93Å; I203-M205 PolarHBondContact O-N 2.95Å; I203-A206 WeakPolarHBondContact O-CB 3.22Å; I203-A206 PolarHBondContact O-N 2.77Å; I203-L207 HydrophobicContact CG2-CD1 3.81Å; I203-L207 HydrophobicContact CG2-CG 4.31Å; I203-L207 WeakPolarHBondContact O-CG 2.83Å; I203-L207 PolarHBondContact O-N 3.16Å; I203-I220 HydrophobicContact CG1-CG2 4.03Å; I203-I220 HydrophobicContact CG2-CD1 4.41Å; I203-V242 HydrophobicContact CD1-CG1 4.22Å; I203-V242 HydrophobicContact CG1-CG1 4.28Å; I203-N245 HydrophobicContact CD1-CB 3.67Å; I203-L246 HydrophobicContact CD1-CD2 4.21Å; I203-L246 HydrophobicContact CD1-CG 4.13Å; I203-L246 HydrophobicContact CG2-CD2 3.66Å; I203-F252 HydrophobicContact CB-CE1 4.13Å; I203-F252 HydrophobicContact CB-CE2 4.31Å; I203-F252 HydrophobicContact CB-CZ 3.81Å; I203-F252 HydrophobicContact CD1-CE2 4.21Å; I203-F252 HydrophobicContact CG2-CD1 3.84Å; I203-F252 HydrophobicContact CG2-CD2 4.38Å; I203-F252 HydrophobicContact CG2-CE1 3.46Å; I203-F252 VanDerWaalsContact CG2-CE1 3.46Å; I203-F252 HydrophobicContact CG2-CE2 4.05Å; I203-F252 HydrophobicContact CG2-CG 4.3Å; I203-F252 HydrophobicContact CG2-CZ 3.58Å
204A95.8Very high93.7Very high0 Ų035.1 Ų35.10%019%0.185CC..Hα-helixtrans-63-41.8-179.800000112.7S200 C201 A206 L207 K208 F252 L271 M279 M283S200-A204 WeakPolarHBondContact O-CB 3.43Å; S200-A204 PolarHBondContact O-N 3.49Å; C201-A204 PolarHBondContact O-N 2.81Å; A204-A206 VanDerWaalsContact C-N 3.35Å; A204-A206 PolarHBondContact O-N 3.32Å; A204-L207 PolarHBondContact O-N 2.88Å; A204-K208 WeakPolarHBondContact O-CB 3.29Å; A204-K208 WeakPolarHBondContact O-CG 3.1Å; A204-K208 PolarHBondContact O-N 3.37Å; A204-F252 HydrophobicContact CB-CE1 4.46Å; A204-L271 HydrophobicContact CB-CD1 4.23Å; A204-M279 HydrophobicContact CB-CE 4.5Å; A204-M279 HydrophobicContact CB-CG 3.26Å; A204-M279 HydrophobicContact CB-SD 3.8Å; A204-M283 HydrophobicContact CB-SD 3.92Å
205M95.3Very high93.8Very high0 Ų030.2 Ų30.20%016%0.164CC..Hα-helixtrans-60.6-42.2173.1-74.5-178.2-71.500112Y197 C201 L202 I203 L207 K208 S209 F223 F228 M283Y197-M205 HydrophobicContact CD1-CE 4.45Å; Y197-M205 HydrophobicContact CD2-CE 3.67Å; Y197-M205 HydrophobicContact CE2-CE 3.94Å; Y197-M205 HydrophobicContact CE2-SD 4.31Å; Y197-M205 HydrophobicContact CG-CE 3.96Å; C201-M205 WeakPolarHBondContact O-CE 3.32Å; C201-M205 PolarHBondContact O-N 3.31Å; L202-M205 HydrophobicContact CD2-CE 3.91Å; I203-M205 PolarHBondContact O-N 2.95Å; M205-L207 PolarHBondContact O-N 3.11Å; M205-K208 PolarHBondContact O-N 3.33Å; M205-S209 PolarHBondContact O-N 2.96Å; M205-S209 PolarHBondContact O-OG 2.95Å; M205-F223 HydrophobicContact CB-CE1 3.95Å; M205-F223 HydrophobicContact CB-CZ 3.88Å; M205-F228 HydrophobicContact CE-CE2 4.07Å; M205-F228 HydrophobicContact CE-CZ 3.77Å; M205-F228 HydrophobicContact SD-CZ 4.45Å; M205-M283 HydrophobicContact CG-CE 3.4Å; M205-M283 HydrophobicContact CG-SD 4.09Å; M205-M283 HydrophobicContact SD-CE 4.29Å
206A95.6Very high93.8Very high0 Ų031.6 Ų31.60%017%0.173CC..Hα-helixtrans-61.9-42.317600000112.6L202 I203 A204 S209 S210 L215 F223L202-A206 PolarHBondContact O-N 2.93Å; I203-A206 WeakPolarHBondContact O-CB 3.22Å; I203-A206 PolarHBondContact O-N 2.77Å; A204-A206 VanDerWaalsContact C-N 3.35Å; A204-A206 PolarHBondContact O-N 3.32Å; A206-S209 PolarHBondContact O-OG 3.35Å; A206-S210 PolarHBondContact O-N 2.87Å; A206-L215 HydrophobicContact CB-CD1 4.15Å; A206-L215 WeakPolarHBondContact O-CD1 3.38Å; A206-F223 HydrophobicContact CB-CB 3.95Å; A206-F223 HydrophobicContact CB-CD1 3.39Å; A206-F223 HydrophobicContact CB-CD2 4.17Å; A206-F223 HydrophobicContact CB-CE1 3.89Å; A206-F223 HydrophobicContact CB-CG 3.56Å; A206-F223 HydrophobicContact CB-CZ 4.48Å
207L94.6Very high93.9Very high2 Ų230.8 Ų30.81%0.0117%0.17CC..Hα-helixtrans-70.9-35.7178.7-67.8173.6000112I203 A204 M205 S210 L215 F252 W269 L271I203-L207 HydrophobicContact CG2-CD1 3.81Å; I203-L207 HydrophobicContact CG2-CG 4.31Å; I203-L207 WeakPolarHBondContact O-CG 2.83Å; I203-L207 PolarHBondContact O-N 3.16Å; A204-L207 PolarHBondContact O-N 2.88Å; M205-L207 PolarHBondContact O-N 3.11Å; L207-S210 WeakPolarHBondContact O-CB 3.13Å; L207-S210 PolarHBondContact O-N 3.48Å; L207-L215 HydrophobicContact CD2-CB 4.05Å; L207-L215 HydrophobicContact CD2-CG 4.34Å; L207-F252 HydrophobicContact CD1-CD1 3.65Å; L207-F252 HydrophobicContact CD1-CE1 3.97Å; L207-W269 WeakPolarHBondContact CD2-O 3.43Å; L207-L271 HydrophobicContact CB-CB 4.47Å; L207-L271 HydrophobicContact CD1-CB 4.33Å
208K91.4Very high93.9Very high12 Ų1233.2 Ų33.25%0.05219%0.189CC..Hα-helixtrans-67.4-38.4173.7-79.7-168.953.4151.20113A204 M205 S210 L271 E280 M283 I308 D310 P312A204-K208 WeakPolarHBondContact O-CB 3.29Å; A204-K208 WeakPolarHBondContact O-CG 3.1Å; A204-K208 PolarHBondContact O-N 3.37Å; M205-K208 PolarHBondContact O-N 3.33Å; K208-S210 PolarHBondContact O-N 2.99Å; K208-L271 HydrophobicContact CG-CD2 4.46Å; K208-E280 HydrophobicContact CD-CG 4.45Å; K208-E280 IonicContact NZ-OE1 2.69Å; K208-E280 PolarHBondContact NZ-OE1 3.37Å; K208-M283 HydrophobicContact CD-CE 4.33Å; K208-I308 PolarHBondContact NZ-O 3.16Å; K208-D310 WeakPolarHBondContact CE-O 3.2Å; K208-D310 PolarHBondContact NZ-O 3.46Å; K208-P312 HydrophobicContact CG-CG 4.23Å
209S91.4Very high93.9Very high56 Ų5634.6 Ų34.639%0.39219%0.189SC..THydrogen-bonded Turntrans-72.5-11.5176.364.70000113.7M205 A206 K211 F223M205-S209 PolarHBondContact O-N 2.96Å; M205-S209 PolarHBondContact O-OG 2.95Å; A206-S209 PolarHBondContact O-OG 3.35Å; S209-K211 PolarHBondContact O-N 3.3Å; S209-F223 WeakPolarHBondContact OG-CD2 3.47Å; S209-F223 WeakPolarHBondContact OG-CE2 3.21Å
210S91.8Very high93.8Very high14 Ų1432.2 Ų32.210%0.09818%0.18CC..  trans-76122.2175.5-177.80000111.1A206 L207 K208 T212 G213 S214A206-S210 PolarHBondContact O-N 2.87Å; L207-S210 WeakPolarHBondContact O-CB 3.13Å; L207-S210 PolarHBondContact O-N 3.48Å; K208-S210 PolarHBondContact O-N 2.99Å; S210-T212 PolarHBondContact O-N 3.1Å; S210-T212 PolarHBondContact OG-N 2.97Å; S210-G213 PolarHBondContact O-N 3.15Å; S210-S214 PolarHBondContact OG-O 3.32Å
211K87.6Confident93.8Very high214 Ų21433.7 Ų33.793%0.9318%0.184SC*.THydrogen-bonded Turntrans-57.2-14.3172.1-59.7-177.9-178.3-1790113.9S209S209-K211 PolarHBondContact O-N 3.3Å
212T87.3Confident93.8Very high102 Ų10235.7 Ų35.763%0.62620%0.198SC*.THydrogen-bonded Turntrans-107.21.2179.8-39.70000112.2S210 S214S210-T212 PolarHBondContact O-N 3.1Å; S210-T212 PolarHBondContact OG-N 2.97Å; T212-S214 PolarHBondContact O-N 3.31Å; T212-S214 PolarHBondContact O-OG 3.12Å
213G88.3Confident93.8Very high8 Ų836.2 Ų36.28%0.08220%0.2CC..SBendtrans61.48.6-174.500000115S210 S314S210-G213 PolarHBondContact O-N 3.15Å; G213-S314 WeakPolarHBondContact CA-OG 3.2Å
214S92.9Very high93.8Very high17 Ų1736.2 Ų36.212%0.11920%0.2CC..EExtended strand (participates in β ladder)trans-148.8151.3-175.254.70000111.2S210 T212 W269S210-S214 PolarHBondContact OG-O 3.32Å; T212-S214 PolarHBondContact O-N 3.31Å; T212-S214 PolarHBondContact O-OG 3.12Å; S214-W269 CarbonylContact C-O 3.51Å; S214-W269 WeakPolarHBondContact CA-O 3.26Å; S214-W269 VanDerWaalsContact CB-O 3.29Å; S214-W269 WeakPolarHBondContact CB-O 3.29Å
215L94.8Very high93.7Very high26 Ų2640 Ų4014%0.13622%0.217CC..EExtended strand (participates in β ladder)trans-147.3149.3-179.6-70.2178.8000111.6A206 L207 E219 I220 W269A206-L215 HydrophobicContact CB-CD1 4.15Å; A206-L215 WeakPolarHBondContact O-CD1 3.38Å; L207-L215 HydrophobicContact CD2-CB 4.05Å; L207-L215 HydrophobicContact CD2-CG 4.34Å; L215-E219 HydrophobicContact CB-CB 4.3Å; L215-E219 HydrophobicContact CD1-CB 4.13Å; L215-E219 HydrophobicContact CD2-CB 3.91Å; L215-E219 HydrophobicContact CD2-CG 4.32Å; L215-E219 HydrophobicContact CG-CB 4.35Å; L215-I220 HydrophobicContact CB-CG1 4.15Å; L215-I220 HydrophobicContact CD1-CG1 4.3Å; L215-W269 PolarHBondContact N-O 3.01Å; L215-W269 PolarHBondContact O-N 2.73Å
216P95.1Very high93.7Very high37 Ų3745.6 Ų45.624%0.2424%0.243CC..EExtended strand (participates in β ladder)trans-73.2160162.234.3-34.4000110.3S218 E219 I220 L268P216-S218 PolarHBondContact O-N 2.62Å; P216-S218 VanDerWaalsContact O-N 3.1Å; P216-E219 HydrophobicContact CG-CB 4.48Å; P216-E219 HydrophobicContact CG-CG 3.92Å; P216-E219 PolarHBondContact O-N 3.27Å; P216-E219 VanDerWaalsContact O-N 3.09Å; P216-I220 PolarHBondContact O-N 2.69Å; P216-L268 HydrophobicContact CB-CD2 4.06Å; P216-L268 HydrophobicContact CG-CD2 4.31Å
217V95.2Very high93.6Very high30 Ų3046.6 Ų46.618%0.18225%0.248CC..Hα-helixtrans-59.9-26.3-176.7-165.80000112.9I220 Y221 R243 L246V217-I220 PolarHBondContact O-N 2.94Å; V217-Y221 HydrophobicContact CG1-CE1 3.85Å; V217-Y221 HydrophobicContact CG1-CE2 4.01Å; V217-Y221 WeakPolarHBondContact O-CD2 3.33Å; V217-Y221 PolarHBondContact O-N 3.18Å; V217-Y221 VanDerWaalsContact O-N 3.17Å; V217-R243 HydrophobicContact CG1-CG 4.33Å; V217-L246 HydrophobicContact CG1-CD1 4.11Å; V217-L246 HydrophobicContact CG2-CD1 4.06Å
218S95.3Very high93.7Very high60 Ų6046.5 Ų46.542%0.4225%0.247SC..Hα-helixtrans-59.7-45174.656.30000112.8P216 I220 Y221 S222P216-S218 PolarHBondContact O-N 2.62Å; P216-S218 VanDerWaalsContact O-N 3.1Å; S218-I220 VanDerWaalsContact C-N 3.35Å; S218-Y221 WeakPolarHBondContact O-CB 3.16Å; S218-Y221 PolarHBondContact O-N 2.92Å; S218-S222 PolarHBondContact O-N 3.21Å; S218-S222 PolarHBondContact O-OG 3.1Å
219E95.7Very high93.8Very high82 Ų8246.6 Ų46.638%0.38325%0.249SC..Hα-helixtrans-74.1-29.7-177.5-61.5-26.2110.400111.9L215 P216 Y221 S222 F223L215-E219 HydrophobicContact CB-CB 4.3Å; L215-E219 HydrophobicContact CD1-CB 4.13Å; L215-E219 HydrophobicContact CD2-CB 3.91Å; L215-E219 HydrophobicContact CD2-CG 4.32Å; L215-E219 HydrophobicContact CG-CB 4.35Å; P216-E219 HydrophobicContact CG-CB 4.48Å; P216-E219 HydrophobicContact CG-CG 3.92Å; P216-E219 PolarHBondContact O-N 3.27Å; P216-E219 VanDerWaalsContact O-N 3.09Å; E219-Y221 VanDerWaalsContact C-N 3.31Å; E219-Y221 PolarHBondContact O-N 3.18Å; E219-S222 PolarHBondContact O-N 3.17Å; E219-F223 VanDerWaalsContact O-CB 3.32Å; E219-F223 WeakPolarHBondContact O-CB 3.44Å; E219-F223 PolarHBondContact O-N 3.44Å
220I96.5Very high93.9Very high0 Ų046.4 Ų46.40%024%0.24CC..Hα-helixtrans-62-42.5170.7-58.5173.9000109.9I203 L215 P216 V217 S218 M224 V242 L246I203-I220 HydrophobicContact CG1-CG2 4.03Å; I203-I220 HydrophobicContact CG2-CD1 4.41Å; L215-I220 HydrophobicContact CB-CG1 4.15Å; L215-I220 HydrophobicContact CD1-CG1 4.3Å; P216-I220 PolarHBondContact O-N 2.69Å; V217-I220 PolarHBondContact O-N 2.94Å; S218-I220 VanDerWaalsContact C-N 3.35Å; I220-M224 HydrophobicContact CG2-SD 4.18Å; I220-M224 WeakPolarHBondContact O-CB 3.32Å; I220-M224 VanDerWaalsContact O-CG 3.28Å; I220-M224 WeakPolarHBondContact O-CG 3.42Å; I220-M224 PolarHBondContact O-N 2.9Å; I220-M224 VanDerWaalsContact O-N 3.09Å; I220-V242 HydrophobicContact CG2-CG1 3.96Å; I220-L246 HydrophobicContact CD1-CD1 4.09Å; I220-L246 HydrophobicContact CD1-CD2 4.12Å
221Y96.1Very high94Very high44 Ų4446.1 Ų46.117%0.17324%0.237CC..Hα-helixtrans-64.8-38.2173.1-56.6-35.7000112.5V217 S218 E219 K225 W238 K239 V242 R243V217-Y221 HydrophobicContact CG1-CE1 3.85Å; V217-Y221 HydrophobicContact CG1-CE2 4.01Å; V217-Y221 WeakPolarHBondContact O-CD2 3.33Å; V217-Y221 PolarHBondContact O-N 3.18Å; V217-Y221 VanDerWaalsContact O-N 3.17Å; S218-Y221 WeakPolarHBondContact O-CB 3.16Å; S218-Y221 PolarHBondContact O-N 2.92Å; E219-Y221 VanDerWaalsContact C-N 3.31Å; E219-Y221 PolarHBondContact O-N 3.18Å; Y221-K225 WeakPolarHBondContact O-CE 3.16Å; Y221-K225 WeakPolarHBondContact O-CG 3.38Å; Y221-K225 PolarHBondContact O-N 2.99Å; Y221-W238 AromaticContact CD1-CH2 4Å; Y221-W238 HydrophobicContact CD1-CH2 4Å; Y221-W238 AromaticContact CD1-CZ3 3.71Å; Y221-W238 HydrophobicContact CD1-CZ3 3.71Å; Y221-W238 HydrophobicContact CE1-CZ3 4.47Å; Y221-W238 HydrophobicContact CG-CH2 4.27Å; Y221-W238 HydrophobicContact CG-CZ3 4.43Å; Y221-K239 HydrophobicContact CD1-CG 4.35Å; Y221-K239 HydrophobicContact CE1-CB 3.89Å; Y221-K239 HydrophobicContact CE1-CG 4.12Å; Y221-V242 HydrophobicContact CD1-CG1 4.34Å; Y221-V242 HydrophobicContact CE1-CB 4.2Å; Y221-V242 HydrophobicContact CE1-CG1 4.01Å; Y221-R243 WeakPolarHBondContact OH-CG 3.42Å; Y221-R243 PolarHBondContact OH-NH1 3.25Å; Y221-R243 VanDerWaalsContact OH-NH1 3.09Å
222S96.5Very high94.3Very high44 Ų4442.4 Ų42.431%0.30822%0.221SC..Hα-helixtrans-63.5-55.7176.4-64.20000111.4S218 E219 M224 K225 E226S218-S222 PolarHBondContact O-N 3.21Å; S218-S222 PolarHBondContact O-OG 3.1Å; E219-S222 PolarHBondContact O-N 3.17Å; S222-M224 VanDerWaalsContact C-N 3.32Å; S222-M224 PolarHBondContact O-N 3.48Å; S222-K225 PolarHBondContact O-N 3.09Å; S222-K225 VanDerWaalsContact O-N 3.11Å; S222-E226 WeakPolarHBondContact O-CB 3.3Å; S222-E226 PolarHBondContact O-N 2.89Å
223F96.3Very high94.5Very high12 Ų1242.9 Ų42.95%0.05322%0.223CC..Hα-helixtrans-52.4-47.1178.1176.6-86000112.1M205 A206 S209 E219 K225 E226 H227 L307M205-F223 HydrophobicContact CB-CE1 3.95Å; M205-F223 HydrophobicContact CB-CZ 3.88Å; A206-F223 HydrophobicContact CB-CB 3.95Å; A206-F223 HydrophobicContact CB-CD1 3.39Å; A206-F223 HydrophobicContact CB-CD2 4.17Å; A206-F223 HydrophobicContact CB-CE1 3.89Å; A206-F223 HydrophobicContact CB-CG 3.56Å; A206-F223 HydrophobicContact CB-CZ 4.48Å; S209-F223 WeakPolarHBondContact OG-CD2 3.47Å; S209-F223 WeakPolarHBondContact OG-CE2 3.21Å; E219-F223 VanDerWaalsContact O-CB 3.32Å; E219-F223 WeakPolarHBondContact O-CB 3.44Å; E219-F223 PolarHBondContact O-N 3.44Å; F223-K225 PolarHBondContact O-N 3.48Å; F223-E226 PolarHBondContact O-N 3.19Å; F223-H227 AromaticContact CD2-CE1 3.29Å; F223-H227 WeakPolarHBondContact CD2-CE1 3.42Å; F223-H227 AromaticContact CD2-ND1 3.33Å; F223-H227 VanDerWaalsContact CD2-ND1 3.33Å; F223-H227 WeakPolarHBondContact CD2-ND1 2.89Å; F223-H227 AromaticContact CE2-CE1 3.26Å; F223-H227 WeakPolarHBondContact CE2-CE1 3.24Å; F223-H227 AromaticContact CE2-CG 3.89Å; F223-H227 AromaticContact CE2-ND1 3.38Å; F223-H227 WeakPolarHBondContact CE2-ND1 3.38Å; F223-H227 AromaticContact CE2-NE2 3.66Å; F223-H227 AromaticContact CG-ND1 3.69Å; F223-H227 AromaticContact CZ-CG 3.91Å; F223-H227 AromaticContact CZ-ND1 3.79Å; F223-H227 PolarHBondContact O-N 3.03Å; F223-H227 PolarHBondContact O-ND1 3.46Å; F223-L307 HydrophobicContact CE2-CD2 3.81Å; F223-L307 HydrophobicContact CZ-CD1 4.12Å; F223-L307 HydrophobicContact CZ-CD2 3.88Å
224M95.9Very high94.6Very high0 Ų043.1 Ų43.10%023%0.225CC..Hα-helixtrans-61.8-44.1179.3-75.9177.361.600112.1Y199 L202 I220 S222 E226 F228 F231 W238 V242Y199-M224 HydrophobicContact CD1-CE 4.05Å; Y199-M224 HydrophobicContact CE1-CE 4.18Å; L202-M224 HydrophobicContact CB-CG 4.45Å; L202-M224 HydrophobicContact CB-SD 4.49Å; L202-M224 HydrophobicContact CD1-CE 4.2Å; I220-M224 HydrophobicContact CG2-SD 4.18Å; I220-M224 WeakPolarHBondContact O-CB 3.32Å; I220-M224 VanDerWaalsContact O-CG 3.28Å; I220-M224 WeakPolarHBondContact O-CG 3.42Å; I220-M224 PolarHBondContact O-N 2.9Å; I220-M224 VanDerWaalsContact O-N 3.09Å; S222-M224 VanDerWaalsContact C-N 3.32Å; S222-M224 PolarHBondContact O-N 3.48Å; M224-E226 VanDerWaalsContact C-N 3.34Å; M224-F228 CarbonylContact O-C 3.58Å; M224-F228 WeakPolarHBondContact O-CA 3.42Å; M224-F228 WeakPolarHBondContact O-CB 3.4Å; M224-F228 PolarHBondContact O-N 2.86Å; M224-F228 VanDerWaalsContact O-O 3.05Å; M224-F231 HydrophobicContact CB-CD2 3.97Å; M224-F231 HydrophobicContact CB-CE2 4.49Å; M224-F231 HydrophobicContact CB-CG 4.43Å; M224-F231 HydrophobicContact CE-CD1 3.99Å; M224-F231 HydrophobicContact CE-CD2 3.9Å; M224-F231 HydrophobicContact CE-CE1 3.75Å; M224-F231 HydrophobicContact CE-CE2 3.64Å; M224-F231 HydrophobicContact CE-CG 4.08Å; M224-F231 HydrophobicContact CE-CZ 3.57Å; M224-W238 HydrophobicContact CB-CZ3 4.41Å; M224-W238 HydrophobicContact CE-CE3 3.79Å; M224-W238 HydrophobicContact CE-CZ3 3.78Å; M224-W238 HydrophobicContact SD-CZ3 4.03Å; M224-V242 HydrophobicContact CE-CG2 3.75Å; M224-V242 HydrophobicContact SD-CG2 3.6Å
225K95.1Very high94.5Very high80 Ų8047.5 Ų47.535%0.34825%0.253SS..Hα-helixtrans-65.9-36.5176.3-73.5175.5-70.3157.90112.5Y221 S222 F223 F231 K232 W238Y221-K225 WeakPolarHBondContact O-CE 3.16Å; Y221-K225 WeakPolarHBondContact O-CG 3.38Å; Y221-K225 PolarHBondContact O-N 2.99Å; S222-K225 PolarHBondContact O-N 3.09Å; S222-K225 VanDerWaalsContact O-N 3.11Å; F223-K225 PolarHBondContact O-N 3.48Å; K225-F231 HydrophobicContact CG-CB 4.21Å; K225-K232 HydrophobicContact CB-CG 4.03Å; K225-K232 HydrophobicContact CG-CG 4.36Å; K225-K232 WeakPolarHBondContact O-CE 3.44Å; K225-W238 HydrophobicContact CG-CH2 4.31Å; K225-W238 HydrophobicContact CG-CZ2 4.18Å
226E95.1Very high94.2Very high118 Ų11851.4 Ų51.455%0.55127%0.274SS*.Hα-helixtrans-68.2-59.2-178.3179.9169.2-135.500111.1S222 F223 M224 A299S222-E226 WeakPolarHBondContact O-CB 3.3Å; S222-E226 PolarHBondContact O-N 2.89Å; F223-E226 PolarHBondContact O-N 3.19Å; M224-E226 VanDerWaalsContact C-N 3.34Å; E226-A299 WeakPolarHBondContact O-CB 3.28Å
227H93.8Very high94.1Very high21 Ų2151.9 Ų51.910%0.09729%0.285CS..Hα-helixtrans-77.5-29.5-173.6-62.278.3000112.9F223 M298 A299F223-H227 AromaticContact CD2-CE1 3.29Å; F223-H227 WeakPolarHBondContact CD2-CE1 3.42Å; F223-H227 AromaticContact CD2-ND1 3.33Å; F223-H227 VanDerWaalsContact CD2-ND1 3.33Å; F223-H227 WeakPolarHBondContact CD2-ND1 2.89Å; F223-H227 AromaticContact CE2-CE1 3.26Å; F223-H227 WeakPolarHBondContact CE2-CE1 3.24Å; F223-H227 AromaticContact CE2-CG 3.89Å; F223-H227 AromaticContact CE2-ND1 3.38Å; F223-H227 WeakPolarHBondContact CE2-ND1 3.38Å; F223-H227 AromaticContact CE2-NE2 3.66Å; F223-H227 AromaticContact CG-ND1 3.69Å; F223-H227 AromaticContact CZ-CG 3.91Å; F223-H227 AromaticContact CZ-ND1 3.79Å; F223-H227 PolarHBondContact O-N 3.03Å; F223-H227 PolarHBondContact O-ND1 3.46Å; H227-M298 CarbonylContact O-C 3.45Å; H227-M298 WeakPolarHBondContact O-CA 3.34Å; H227-A299 PolarHBondContact O-N 2.87Å
228F95.1Very high94.1Very high0 Ų051 Ų510%028%0.279CS..  trans-127.583.3-178.7-57.3-86.2000110.4P195 Y197 L202 M205 M224 Y230 F231 M298P195-F228 HydrophobicContact CB-CD1 3.84Å; P195-F228 HydrophobicContact CB-CE1 4.18Å; P195-F228 HydrophobicContact CB-CG 4.49Å; P195-F228 HydrophobicContact CG-CB 3.72Å; P195-F228 HydrophobicContact CG-CD1 3.44Å; P195-F228 VanDerWaalsContact CG-CD1 3.44Å; P195-F228 HydrophobicContact CG-CE1 4.26Å; P195-F228 HydrophobicContact CG-CG 3.77Å; Y197-F228 HydrophobicContact CD2-CE1 4.39Å; Y197-F228 HydrophobicContact CD2-CZ 4.33Å; L202-F228 HydrophobicContact CD2-CD1 4.38Å; L202-F228 HydrophobicContact CD2-CD2 3.66Å; L202-F228 HydrophobicContact CD2-CE1 4.15Å; L202-F228 HydrophobicContact CD2-CE2 3.42Å; L202-F228 VanDerWaalsContact CD2-CE2 3.42Å; L202-F228 HydrophobicContact CD2-CG 4.15Å; L202-F228 HydrophobicContact CD2-CZ 3.68Å; M205-F228 HydrophobicContact CE-CE2 4.07Å; M205-F228 HydrophobicContact CE-CZ 3.77Å; M205-F228 HydrophobicContact SD-CZ 4.45Å; M224-F228 CarbonylContact O-C 3.58Å; M224-F228 WeakPolarHBondContact O-CA 3.42Å; M224-F228 WeakPolarHBondContact O-CB 3.4Å; M224-F228 PolarHBondContact O-N 2.86Å; M224-F228 VanDerWaalsContact O-O 3.05Å; F228-Y230 PolarHBondContact O-N 2.83Å; F228-F231 HydrophobicContact CB-CD2 3.85Å; F228-F231 HydrophobicContact CB-CE2 3.93Å; F228-F231 WeakPolarHBondContact O-CD2 3.37Å; F228-F231 PolarHBondContact O-N 3.03Å; F228-M298 HydrophobicContact CD1-CG 3.64Å; F228-M298 HydrophobicContact CE1-CG 3.27Å; F228-M298 HydrophobicContact CE1-SD 3.99Å; F228-M298 HydrophobicContact CZ-CE 4.5Å; F228-M298 HydrophobicContact CZ-CG 3.95Å; F228-M298 HydrophobicContact CZ-SD 4.21Å
229P94.1Very high94.2Very high13 Ų1351.3 Ų51.38%0.08427%0.273CS..G310 helixtrans-62.7-11.9-167-24.534.7000115.8Y192 F231 K232 A299Y192-P229 HydrophobicContact CD1-CG 4.4Å; Y192-P229 HydrophobicContact CD2-CB 3.53Å; Y192-P229 HydrophobicContact CD2-CG 3.82Å; Y192-P229 HydrophobicContact CE1-CG 4.37Å; Y192-P229 HydrophobicContact CE2-CB 3.83Å; Y192-P229 HydrophobicContact CE2-CG 3.77Å; Y192-P229 HydrophobicContact CG-CB 4.06Å; Y192-P229 HydrophobicContact CG-CG 4.13Å; P229-F231 PolarHBondContact O-N 3.09Å; P229-K232 HydrophobicContact CB-CD 4.16Å; P229-K232 VanDerWaalsContact O-CB 3.24Å; P229-K232 WeakPolarHBondContact O-CB 3.42Å; P229-K232 WeakPolarHBondContact O-CG 3.41Å; P229-K232 PolarHBondContact O-N 2.83Å; P229-A299 HydrophobicContact CG-CB 3.79Å
230Y93.9Very high94.2Very high53 Ų5351.9 Ų51.921%0.20828%0.278CS..G310 helixtrans-45.2-40.3164.7173.5-102.3000112.7K194 F228 K232 T233 A234K194-Y230 HydrophobicContact CB-CD1 4.24Å; K194-Y230 HydrophobicContact CB-CD2 4.23Å; K194-Y230 HydrophobicContact CB-CE1 3.9Å; K194-Y230 HydrophobicContact CB-CE2 3.89Å; K194-Y230 HydrophobicContact CB-CG 4.4Å; K194-Y230 HydrophobicContact CD-CE1 4.26Å; K194-Y230 HydrophobicContact CG-CD1 4.23Å; K194-Y230 HydrophobicContact CG-CE1 3.7Å; F228-Y230 PolarHBondContact O-N 2.83Å; Y230-K232 PolarHBondContact O-N 3.39Å; Y230-T233 PolarHBondContact O-N 3.21Å; Y230-T233 VanDerWaalsContact O-N 3.15Å; Y230-T233 PolarHBondContact O-OG1 2.96Å; Y230-A234 HydrophobicContact CD1-CB 4.16Å; Y230-A234 HydrophobicContact CE1-CB 3.75Å; Y230-A234 WeakPolarHBondContact O-CB 2.95Å; Y230-A234 PolarHBondContact O-N 3.3Å
231F94.3Very high94.2Very high7 Ų753.8 Ų53.83%0.03129%0.292CS..G310 helixtrans-73.2-4.4179.6-60.9-67.9000114.5P195 Y199 L202 M224 K225 F228 P229 A234 W238P195-F231 HydrophobicContact CG-CE2 3.94Å; P195-F231 HydrophobicContact CG-CZ 4.35Å; Y199-F231 HydrophobicContact CE1-CE1 4Å; Y199-F231 HydrophobicContact CE1-CZ 4.32Å; L202-F231 HydrophobicContact CD1-CE2 3.86Å; L202-F231 HydrophobicContact CD1-CZ 3.68Å; M224-F231 HydrophobicContact CB-CD2 3.97Å; M224-F231 HydrophobicContact CB-CE2 4.49Å; M224-F231 HydrophobicContact CB-CG 4.43Å; M224-F231 HydrophobicContact CE-CD1 3.99Å; M224-F231 HydrophobicContact CE-CD2 3.9Å; M224-F231 HydrophobicContact CE-CE1 3.75Å; M224-F231 HydrophobicContact CE-CE2 3.64Å; M224-F231 HydrophobicContact CE-CG 4.08Å; M224-F231 HydrophobicContact CE-CZ 3.57Å; K225-F231 HydrophobicContact CG-CB 4.21Å; F228-F231 HydrophobicContact CB-CD2 3.85Å; F228-F231 HydrophobicContact CB-CE2 3.93Å; F228-F231 WeakPolarHBondContact O-CD2 3.37Å; F228-F231 PolarHBondContact O-N 3.03Å; P229-F231 PolarHBondContact O-N 3.09Å; F231-A234 HydrophobicContact CD1-CB 4.42Å; F231-W238 HydrophobicContact CB-CD2 4.45Å; F231-W238 HydrophobicContact CB-CH2 4.28Å; F231-W238 HydrophobicContact CB-CZ2 3.97Å; F231-W238 HydrophobicContact CD1-CB 4.27Å; F231-W238 AromaticContact CD1-CD2 3.79Å; F231-W238 HydrophobicContact CD1-CD2 3.79Å; F231-W238 HydrophobicContact CD1-CE3 4.03Å; F231-W238 AromaticContact CD1-CG 3.9Å; F231-W238 HydrophobicContact CD1-CG 3.9Å; F231-W238 HydrophobicContact CE1-CB 4.38Å; F231-W238 HydrophobicContact CE1-CG 4.48Å; F231-W238 HydrophobicContact CG-CD2 4.46Å; F231-W238 PolarHBondContact O-NE1 2.74Å
232K92.9Very high94.3Very high137 Ų13751.7 Ų51.760%0.59628%0.284SS*.G310 helixtrans-77.2-26.5169.4-57-177.7-169.7-176.30112.2K225 P229 Y230K225-K232 HydrophobicContact CB-CG 4.03Å; K225-K232 HydrophobicContact CG-CG 4.36Å; K225-K232 WeakPolarHBondContact O-CE 3.44Å; P229-K232 HydrophobicContact CB-CD 4.16Å; P229-K232 VanDerWaalsContact O-CB 3.24Å; P229-K232 WeakPolarHBondContact O-CB 3.42Å; P229-K232 WeakPolarHBondContact O-CG 3.41Å; P229-K232 PolarHBondContact O-N 2.83Å; Y230-K232 PolarHBondContact O-N 3.39Å
233T91.2Very high94.3Very high111 Ų11155 Ų5568%0.68129%0.289SS*.THydrogen-bonded Turntrans-117.9-8.2-177.854.30000113.9Y230Y230-T233 PolarHBondContact O-N 3.21Å; Y230-T233 VanDerWaalsContact O-N 3.15Å; Y230-T233 PolarHBondContact O-OG1 2.96Å
234A90.7Very high94.3Very high14 Ų1459.3 Ų59.312%0.11631%0.309CS..SBendtrans-69.3143.4179.100000113.3Y230 F231Y230-A234 HydrophobicContact CD1-CB 4.16Å; Y230-A234 HydrophobicContact CE1-CB 3.75Å; Y230-A234 WeakPolarHBondContact O-CB 2.95Å; Y230-A234 PolarHBondContact O-N 3.3Å; F231-A234 HydrophobicContact CD1-CB 4.42Å
235P90.9Very high94.3Very high108 Ų10860.7 Ų60.770%0.70132%0.317SS*.  trans-58.7144178.5-24.934000114.1G237 W238P235-G237 PolarHBondContact O-N 3.48Å; P235-W238 PolarHBondContact O-N 3.21Å
236D88.5Confident94.4Very high108 Ų10857 Ų5758%0.57830%0.301SS*.THydrogen-bonded Turntrans-59-14.9-165.6-104-13.6000116.7W238 K239D236-W238 PolarHBondContact O-N 3.49Å; D236-W238 VanDerWaalsContact O-N 3.12Å; D236-K239 WeakPolarHBondContact O-CB 3.28Å; D236-K239 PolarHBondContact O-N 3.49Å; D236-K239 VanDerWaalsContact O-N 3.12Å; D236-K239 WeakPolarHBondContact OD1-CD 2.97Å; D236-K239 WeakPolarHBondContact OD1-CE 3.43Å; D236-K239 IonicContact OD1-NZ 2.67Å; D236-K239 PolarHBondContact OD1-NZ 3.25Å; D236-K239 IonicContact OD2-NZ 2.62Å
237G93.6Very high94.4Very high47 Ų4755.5 Ų55.549%0.48530%0.304SS..Hα-helixtrans-53.6-27.2171.300000114.3P235 K239 N240 S241P235-G237 PolarHBondContact O-N 3.48Å; G237-K239 VanDerWaalsContact C-N 3.25Å; G237-K239 PolarHBondContact O-N 3.46Å; G237-N240 WeakPolarHBondContact O-CA 3.44Å; G237-N240 WeakPolarHBondContact O-CB 3.44Å; G237-N240 PolarHBondContact O-N 3.1Å; G237-S241 PolarHBondContact O-N 2.95Å; G237-S241 VanDerWaalsContact O-N 3.09Å; G237-S241 PolarHBondContact O-OG 3.33Å
238W95.6Very high94.4Very high11 Ų1159.9 Ų59.94%0.04233%0.327CS..Hα-helixtrans-60-34.7177.475.3-103.5000112.7Y199 Y221 M224 K225 F231 P235 D236 N240 S241 V242Y199-W238 HydrophobicContact CE1-CB 4.35Å; Y221-W238 AromaticContact CD1-CH2 4Å; Y221-W238 HydrophobicContact CD1-CH2 4Å; Y221-W238 AromaticContact CD1-CZ3 3.71Å; Y221-W238 HydrophobicContact CD1-CZ3 3.71Å; Y221-W238 HydrophobicContact CE1-CZ3 4.47Å; Y221-W238 HydrophobicContact CG-CH2 4.27Å; Y221-W238 HydrophobicContact CG-CZ3 4.43Å; M224-W238 HydrophobicContact CB-CZ3 4.41Å; M224-W238 HydrophobicContact CE-CE3 3.79Å; M224-W238 HydrophobicContact CE-CZ3 3.78Å; M224-W238 HydrophobicContact SD-CZ3 4.03Å; K225-W238 HydrophobicContact CG-CH2 4.31Å; K225-W238 HydrophobicContact CG-CZ2 4.18Å; F231-W238 HydrophobicContact CB-CD2 4.45Å; F231-W238 HydrophobicContact CB-CH2 4.28Å; F231-W238 HydrophobicContact CB-CZ2 3.97Å; F231-W238 HydrophobicContact CD1-CB 4.27Å; F231-W238 AromaticContact CD1-CD2 3.79Å; F231-W238 HydrophobicContact CD1-CD2 3.79Å; F231-W238 HydrophobicContact CD1-CE3 4.03Å; F231-W238 AromaticContact CD1-CG 3.9Å; F231-W238 HydrophobicContact CD1-CG 3.9Å; F231-W238 HydrophobicContact CE1-CB 4.38Å; F231-W238 HydrophobicContact CE1-CG 4.48Å; F231-W238 HydrophobicContact CG-CD2 4.46Å; F231-W238 PolarHBondContact O-NE1 2.74Å; P235-W238 PolarHBondContact O-N 3.21Å; D236-W238 PolarHBondContact O-N 3.49Å; D236-W238 VanDerWaalsContact O-N 3.12Å; W238-N240 PolarHBondContact O-N 3.26Å; W238-S241 WeakPolarHBondContact O-CB 3.2Å; W238-S241 PolarHBondContact O-N 3.01Å; W238-V242 HydrophobicContact CE3-CG2 4Å; W238-V242 HydrophobicContact CZ3-CG2 4.25Å; W238-V242 WeakPolarHBondContact O-CG2 3.5Å; W238-V242 PolarHBondContact O-N 3Å
239K95.6Very high94.4Very high68 Ų6861.7 Ų61.730%0.29634%0.337SS..Hα-helixtrans-63.2-32.8175.4-62.5170.7-178.9163.40111.2Y221 D236 G237 R243Y221-K239 HydrophobicContact CD1-CG 4.35Å; Y221-K239 HydrophobicContact CE1-CB 3.89Å; Y221-K239 HydrophobicContact CE1-CG 4.12Å; D236-K239 WeakPolarHBondContact O-CB 3.28Å; D236-K239 PolarHBondContact O-N 3.49Å; D236-K239 VanDerWaalsContact O-N 3.12Å; D236-K239 WeakPolarHBondContact OD1-CD 2.97Å; D236-K239 WeakPolarHBondContact OD1-CE 3.43Å; D236-K239 IonicContact OD1-NZ 2.67Å; D236-K239 PolarHBondContact OD1-NZ 3.25Å; D236-K239 IonicContact OD2-NZ 2.62Å; G237-K239 VanDerWaalsContact C-N 3.25Å; G237-K239 PolarHBondContact O-N 3.46Å; K239-R243 WeakPolarHBondContact O-CG 3.44Å; K239-R243 PolarHBondContact O-N 2.91Å; K239-R243 PolarHBondContact O-NH1 3.39Å
240N96.6Very high94.4Very high93 Ų9369.2 Ų69.250%0.49737%0.368SS..Hα-helixtrans-73-41.7175-157.743.4000111.6G237 W238 V242 R243 H244G237-N240 WeakPolarHBondContact O-CA 3.44Å; G237-N240 WeakPolarHBondContact O-CB 3.44Å; G237-N240 PolarHBondContact O-N 3.1Å; W238-N240 PolarHBondContact O-N 3.26Å; N240-V242 VanDerWaalsContact C-N 3.27Å; N240-V242 PolarHBondContact O-N 3.39Å; N240-R243 PolarHBondContact O-N 3.14Å; N240-R243 PolarHBondContact OD1-NH2 3.11Å; N240-H244 WeakPolarHBondContact O-CB 3.43Å; N240-H244 PolarHBondContact O-N 2.92Å
241S96.9Very high94.4Very high41 Ų4167.2 Ų67.229%0.28736%0.361SS..Hα-helixtrans-58.4-37.9174.4-510000112.6G237 W238 N245G237-S241 PolarHBondContact O-N 2.95Å; G237-S241 VanDerWaalsContact O-N 3.09Å; G237-S241 PolarHBondContact O-OG 3.33Å; W238-S241 WeakPolarHBondContact O-CB 3.2Å; W238-S241 PolarHBondContact O-N 3.01Å; S241-N245 WeakPolarHBondContact O-CB 3.33Å; S241-N245 PolarHBondContact O-N 3.16Å; S241-N245 PolarHBondContact O-ND2 3.31Å
242V97Very high94.5Very high0 Ų067.5 Ų67.50%036%0.363CS..Hα-helixtrans-64.2-51.3174.6169.80000111.5Y199 I203 I220 Y221 M224 W238 N240 H244 N245 L246Y199-V242 HydrophobicContact CD1-CG2 3.93Å; Y199-V242 HydrophobicContact CE1-CG2 4.34Å; I203-V242 HydrophobicContact CD1-CG1 4.22Å; I203-V242 HydrophobicContact CG1-CG1 4.28Å; I220-V242 HydrophobicContact CG2-CG1 3.96Å; Y221-V242 HydrophobicContact CD1-CG1 4.34Å; Y221-V242 HydrophobicContact CE1-CB 4.2Å; Y221-V242 HydrophobicContact CE1-CG1 4.01Å; M224-V242 HydrophobicContact CE-CG2 3.75Å; M224-V242 HydrophobicContact SD-CG2 3.6Å; W238-V242 HydrophobicContact CE3-CG2 4Å; W238-V242 HydrophobicContact CZ3-CG2 4.25Å; W238-V242 WeakPolarHBondContact O-CG2 3.5Å; W238-V242 PolarHBondContact O-N 3Å; N240-V242 VanDerWaalsContact C-N 3.27Å; N240-V242 PolarHBondContact O-N 3.39Å; V242-H244 VanDerWaalsContact C-N 3.32Å; V242-H244 PolarHBondContact O-N 2.86Å; V242-N245 PolarHBondContact O-N 3.29Å; V242-L246 HydrophobicContact CG1-CD1 4.31Å; V242-L246 WeakPolarHBondContact O-CG 3.36Å; V242-L246 PolarHBondContact O-N 2.93Å
243R96.4Very high94.6Very high113 Ų11364.3 Ų64.343%0.42635%0.35SS..Hα-helixtrans-57.5-44.7176.7-69.2-174.5-57.9-97.512.2112.2V217 Y221 K239 N240 L246 S247V217-R243 HydrophobicContact CG1-CG 4.33Å; Y221-R243 WeakPolarHBondContact OH-CG 3.42Å; Y221-R243 PolarHBondContact OH-NH1 3.25Å; Y221-R243 VanDerWaalsContact OH-NH1 3.09Å; K239-R243 WeakPolarHBondContact O-CG 3.44Å; K239-R243 PolarHBondContact O-N 2.91Å; K239-R243 PolarHBondContact O-NH1 3.39Å; N240-R243 PolarHBondContact O-N 3.14Å; N240-R243 PolarHBondContact OD1-NH2 3.11Å; R243-L246 WeakPolarHBondContact O-CB 3.38Å; R243-L246 PolarHBondContact O-N 3.03Å; R243-S247 PolarHBondContact O-N 2.89Å; R243-S247 VanDerWaalsContact O-N 3.14Å; R243-S247 PolarHBondContact O-OG 3.18Å
244H97Very high94.7Very high102 Ų10264.3 Ų64.347%0.47234%0.341SS..Hα-helixtrans-61.7-42.4177174.971.1000112.2N240 V242 L246 S247 L248N240-H244 WeakPolarHBondContact O-CB 3.43Å; N240-H244 PolarHBondContact O-N 2.92Å; V242-H244 VanDerWaalsContact C-N 3.32Å; V242-H244 PolarHBondContact O-N 2.86Å; H244-L246 PolarHBondContact O-N 3.47Å; H244-S247 WeakPolarHBondContact CA-OG 3.25Å; H244-S247 PolarHBondContact O-N 2.88Å; H244-S247 PolarHBondContact O-OG 3.48Å; H244-L248 WeakPolarHBondContact O-CB 3.43Å; H244-L248 PolarHBondContact O-N 3.09Å
245N97.1Very high94.7Very high29 Ų2966 Ų6616%0.15535%0.349CS..Hα-helixtrans-62.2-41.3175.8-92-110.1000112.2S200 I203 S241 V242 L248 N249S200-N245 PolarHBondContact N-OD1 3.34Å; S200-N245 PolarHBondContact OG-OD1 3.27Å; I203-N245 HydrophobicContact CD1-CB 3.67Å; S241-N245 WeakPolarHBondContact O-CB 3.33Å; S241-N245 PolarHBondContact O-N 3.16Å; S241-N245 PolarHBondContact O-ND2 3.31Å; V242-N245 PolarHBondContact O-N 3.29Å; N245-L248 PolarHBondContact O-N 3.42Å; N245-N249 WeakPolarHBondContact O-CB 3.46Å; N245-N249 PolarHBondContact O-N 2.83Å
246L96Very high94.3Very high3 Ų367.3 Ų67.32%0.01635%0.346CS..Hα-helixtrans-60-44.1176-70.6168.5000111.7I203 V217 I220 V242 R243 H244 F252 W269I203-L246 HydrophobicContact CD1-CD2 4.21Å; I203-L246 HydrophobicContact CD1-CG 4.13Å; I203-L246 HydrophobicContact CG2-CD2 3.66Å; V217-L246 HydrophobicContact CG1-CD1 4.11Å; V217-L246 HydrophobicContact CG2-CD1 4.06Å; I220-L246 HydrophobicContact CD1-CD1 4.09Å; I220-L246 HydrophobicContact CD1-CD2 4.12Å; V242-L246 HydrophobicContact CG1-CD1 4.31Å; V242-L246 WeakPolarHBondContact O-CG 3.36Å; V242-L246 PolarHBondContact O-N 2.93Å; R243-L246 WeakPolarHBondContact O-CB 3.38Å; R243-L246 PolarHBondContact O-N 3.03Å; H244-L246 PolarHBondContact O-N 3.47Å; L246-F252 HydrophobicContact CD2-CB 4.22Å; L246-F252 HydrophobicContact CD2-CD2 4.26Å; L246-F252 HydrophobicContact CD2-CG 4.12Å; L246-W269 HydrophobicContact CB-CD2 3.98Å; L246-W269 HydrophobicContact CB-CE3 3.96Å; L246-W269 HydrophobicContact CB-CH2 3.98Å; L246-W269 HydrophobicContact CB-CZ2 4.01Å; L246-W269 HydrophobicContact CB-CZ3 3.96Å; L246-W269 HydrophobicContact CD1-CD2 4.25Å; L246-W269 HydrophobicContact CD1-CG 4.19Å; L246-W269 HydrophobicContact CD2-CB 4.06Å; L246-W269 HydrophobicContact CD2-CD2 3.91Å; L246-W269 HydrophobicContact CD2-CE3 4.06Å; L246-W269 HydrophobicContact CD2-CG 3.91Å; L246-W269 HydrophobicContact CG-CD2 4.27Å; L246-W269 HydrophobicContact CG-CG 4.5Å; L246-W269 WeakPolarHBondContact O-CZ3 3.39Å
247S94.9Very high93.5Very high87 Ų8765.4 Ų65.461%0.60834%0.338SS*.Hα-helixtrans-76-31178.451.40000115R243 H244R243-S247 PolarHBondContact O-N 2.89Å; R243-S247 VanDerWaalsContact O-N 3.14Å; R243-S247 PolarHBondContact O-OG 3.18Å; H244-S247 WeakPolarHBondContact CA-OG 3.25Å; H244-S247 PolarHBondContact O-N 2.88Å; H244-S247 PolarHBondContact O-OG 3.48Å
248L94.8Very high92.1Very high113 Ų11373.6 Ų73.659%0.59236%0.361SS*.Hα-helixtrans-87.4-38.6-173.7179.3148.3000112.6H244 N245 K250H244-L248 WeakPolarHBondContact O-CB 3.43Å; H244-L248 PolarHBondContact O-N 3.09Å; N245-L248 PolarHBondContact O-N 3.42Å; L248-K250 PolarHBondContact O-N 3.24Å
249N94Very high90.3Very high38 Ų3878 Ų7820%0.20339%0.393CS..  trans-90.5113.9-169.5-171.4-7.4000111.6S200 N245 C251 F252S200-N249 PolarHBondContact OG-ND2 3.08Å; N245-N249 WeakPolarHBondContact O-CB 3.46Å; N245-N249 PolarHBondContact O-N 2.83Å; N249-C251 PolarHBondContact O-N 3.23Å; N249-C251 WeakPolarHBondContact OD1-CB 3.48Å; N249-C251 PolarHBondContact OD1-N 2.61Å; N249-C251 PolarHBondContact OD1-SG 2.96Å; N249-F252 HydrophobicContact CB-CD2 3.95Å; N249-F252 HydrophobicContact CB-CE2 4Å; N249-F252 PolarHBondContact O-N 3.36Å
250K94.3Very high88.2Confident171 Ų17178 Ų7874%0.74340%0.402SS*.THydrogen-bonded Turntrans-591.9174.7-57-173.6-179.2-175.30115.1L248 F252L248-K250 PolarHBondContact O-N 3.24Å; K250-F252 VanDerWaalsContact C-N 3.35Å
251C93.9Very high86.3Confident10 Ų1078.3 Ų78.37%0.06843%0.427CS..THydrogen-bonded Turntrans-81.2-13.6167.2-54.90000112.9N249 N272 R275 M279N249-C251 PolarHBondContact O-N 3.23Å; N249-C251 WeakPolarHBondContact OD1-CB 3.48Å; N249-C251 PolarHBondContact OD1-N 2.61Å; N249-C251 PolarHBondContact OD1-SG 2.96Å; C251-N272 PolarHBondContact O-N 3.27Å; C251-R275 HydrophobicContact CB-CB 4.05Å; C251-M279 HydrophobicContact CB-CE 3.46Å; C251-M279 VanDerWaalsContact CB-CE 3.46Å
252F95.7Very high84.2Confident13 Ų1379.4 Ų79.46%0.05743%0.434CS..EExtended strand (participates in β ladder)trans-116145.7176.9-48.8-58000110.7S200 I203 A204 L207 L246 N249 K250 W269 A270 L271 M279S200-F252 WeakPolarHBondContact O-CZ 3.47Å; I203-F252 HydrophobicContact CB-CE1 4.13Å; I203-F252 HydrophobicContact CB-CE2 4.31Å; I203-F252 HydrophobicContact CB-CZ 3.81Å; I203-F252 HydrophobicContact CD1-CE2 4.21Å; I203-F252 HydrophobicContact CG2-CD1 3.84Å; I203-F252 HydrophobicContact CG2-CD2 4.38Å; I203-F252 HydrophobicContact CG2-CE1 3.46Å; I203-F252 VanDerWaalsContact CG2-CE1 3.46Å; I203-F252 HydrophobicContact CG2-CE2 4.05Å; I203-F252 HydrophobicContact CG2-CG 4.3Å; I203-F252 HydrophobicContact CG2-CZ 3.58Å; A204-F252 HydrophobicContact CB-CE1 4.46Å; L207-F252 HydrophobicContact CD1-CD1 3.65Å; L207-F252 HydrophobicContact CD1-CE1 3.97Å; L246-F252 HydrophobicContact CD2-CB 4.22Å; L246-F252 HydrophobicContact CD2-CD2 4.26Å; L246-F252 HydrophobicContact CD2-CG 4.12Å; N249-F252 HydrophobicContact CB-CD2 3.95Å; N249-F252 HydrophobicContact CB-CE2 4Å; N249-F252 PolarHBondContact O-N 3.36Å; K250-F252 VanDerWaalsContact C-N 3.35Å; F252-W269 HydrophobicContact CB-CE3 4.18Å; F252-A270 WeakPolarHBondContact CA-O 3.04Å; F252-L271 HydrophobicContact CD1-CD1 3.94Å; F252-L271 HydrophobicContact CE1-CD1 3.65Å; F252-M279 HydrophobicContact CE1-CE 4.29Å; F252-M279 HydrophobicContact CZ-CE 3.86Å
253E95Very high82.3Confident70 Ų7085.6 Ų85.633%0.32748%0.478SS..EExtended strand (participates in β ladder)trans-133.8140.8178.558.9-170.5-136.900111.2V255 W269 A270 N272E253-V255 HydrophobicContact CG-CG2 4.34Å; E253-V255 PolarHBondContact O-N 3.09Å; E253-W269 CarbonylContact O-C 3.58Å; E253-W269 WeakPolarHBondContact O-CA 3.37Å; E253-A270 HydrophobicContact CG-CB 4.17Å; E253-A270 PolarHBondContact N-O 2.93Å; E253-A270 PolarHBondContact O-N 3.15Å; E253-N272 WeakPolarHBondContact OE2-CA 3.33Å; E253-N272 WeakPolarHBondContact OE2-CB 3.41Å; E253-N272 PolarHBondContact OE2-ND2 3.49Å
254K94.6Very high80.6Confident111 Ų11191.6 Ų91.648%0.48350%0.501SS..EExtended strand (participates in β ladder)trans-78.4110176180-150.2174.1-153.50108.4E256 C267 L268 W269K254-E256 IonicContact NZ-OE1 2.91Å; K254-E256 PolarHBondContact NZ-OE1 2.67Å; K254-C267 HydrophobicContact CD-CB 4.38Å; K254-C267 HydrophobicContact CG-CB 3.79Å; K254-L268 CarbonylContact C-O 3.5Å; K254-L268 WeakPolarHBondContact CA-O 3.38Å; K254-W269 HydrophobicContact CB-CE3 4.39Å; K254-W269 HydrophobicContact CB-CH2 4.21Å; K254-W269 HydrophobicContact CB-CZ2 4.46Å; K254-W269 HydrophobicContact CB-CZ3 4.16Å
255V90.6Very high79.3Confident49 Ų4995.2 Ų95.230%0.29752%0.515SS..EExtended strand (participates in β ladder)trans-93.3126.5178.5179.40000110.2E253 L268 A270E253-V255 HydrophobicContact CG-CG2 4.34Å; E253-V255 PolarHBondContact O-N 3.09Å; V255-L268 HydrophobicContact CB-CB 4.33Å; V255-L268 PolarHBondContact N-O 3.34Å; V255-L268 PolarHBondContact O-N 2.98Å; V255-A270 HydrophobicContact CG2-CB 3.49Å; V255-A270 VanDerWaalsContact CG2-CB 3.49Å
256E82.4Confident78.2Confident136 Ų13696.6 Ų96.664%0.63654%0.536SS*.  trans-86128.8179.4-53.6-152.1139.300111.1K254 K258K254-E256 IonicContact NZ-OE1 2.91Å; K254-E256 PolarHBondContact NZ-OE1 2.67Å; E256-K258 PolarHBondContact O-N 2.89Å; E256-K258 VanDerWaalsContact O-N 3.16Å
257T71.8Confident77.9Confident68 Ų6898.9 Ų98.942%0.41755%0.551SS.*  trans-79.6101.8-176.5-64.10000109.8S259 L268T257-S259 VanDerWaalsContact CG2-OG 3.3Å; T257-S259 WeakPolarHBondContact CG2-OG 3.48Å; T257-S259 PolarHBondContact O-N 2.91Å; T257-L268 WeakPolarHBondContact OG1-CD1 3.32Å
258K63.8Low77.9Confident220 Ų22096.8 Ų96.896%0.95753%0.533SS*.THydrogen-bonded Turntrans-59.4-1-177.9-59.3-174.4179.2-177.40115.8E256E256-K258 PolarHBondContact O-N 2.89Å; E256-K258 VanDerWaalsContact O-N 3.16Å
259S58Low77.9Confident103 Ų10393.1 Ų93.172%0.7251%0.512SS*.THydrogen-bonded Turntrans-121.517.9-165.357.40000115.4T257T257-S259 VanDerWaalsContact CG2-OG 3.3Å; T257-S259 WeakPolarHBondContact CG2-OG 3.48Å; T257-S259 PolarHBondContact O-N 2.91Å
260S51.6Low78Confident69 Ų6991.9 Ų91.948%0.48351%0.507SS..  trans-153.8119.1170.1-148.80000115.5S262S260-S262 PolarHBondContact O-N 3.31Å; S260-S262 WeakPolarHBondContact OG-CB 3.36Å; S260-S262 PolarHBondContact OG-N 2.91Å
261G56.4Low78Confident99 Ų9984.1 Ų84.1100%1.02147%0.473SS*.  trans-72.625.9161.200000113.8
262S53.6Low78Confident63 Ų6385.7 Ų85.744%0.44148%0.481SS..  trans-111.695.8179-172.10000109.7S260 R264 K265S260-S262 PolarHBondContact O-N 3.31Å; S260-S262 WeakPolarHBondContact OG-CB 3.36Å; S260-S262 PolarHBondContact OG-N 2.91Å; S262-R264 PolarHBondContact O-N 2.71Å; S262-K265 PolarHBondContact O-N 3.43Å
263S56.2Low77.8Confident131 Ų13189.7 Ų89.792%0.91650%0.502SS*.THydrogen-bonded Turntrans-60.91.3-174.5-155.50000115.3
264R61.1Low77.7Confident239 Ų23990.2 Ų90.290%0.90252%0.519SS*.THydrogen-bonded Turntrans-95.6-3.7-179.9-66.9-160.8-71.8172.7-5.3115.1S262S262-R264 PolarHBondContact O-N 2.71Å
265K68.8Low77.5Confident178 Ų17890.5 Ų90.577%0.77452%0.517SS*.SBendtrans-89.2119.6167.7-102.3-180174.6178.40109.8S262S262-K265 PolarHBondContact O-N 3.43Å
266G75.3Confident77.6Confident58 Ų5888.7 Ų88.760%0.59851%0.505SS*.PPolyproline II helixtrans-61.9156.1-17900000113.1
267C89.1Confident78Confident50 Ų5087.5 Ų87.534%0.33850%0.504SS..PPolyproline II helixtrans-63.4146.8-178.656.80000112.8K254K254-C267 HydrophobicContact CD-CB 4.38Å; K254-C267 HydrophobicContact CG-CB 3.79Å
268L93.9Very high79Confident43 Ų4390.2 Ų90.223%0.22551%0.509CS..EExtended strand (participates in β ladder)trans-84.1151.9168.5-58.9179.2000109.4P216 K254 V255 T257P216-L268 HydrophobicContact CB-CD2 4.06Å; P216-L268 HydrophobicContact CG-CD2 4.31Å; K254-L268 CarbonylContact C-O 3.5Å; K254-L268 WeakPolarHBondContact CA-O 3.38Å; V255-L268 HydrophobicContact CB-CB 4.33Å; V255-L268 PolarHBondContact N-O 3.34Å; V255-L268 PolarHBondContact O-N 2.98Å; T257-L268 WeakPolarHBondContact OG1-CD1 3.32Å
269W95.7Very high80.3Confident37 Ų3780.2 Ų80.214%0.1447%0.466CS..EExtended strand (participates in β ladder)trans-118.3141.5170.1-68.285.6000108.9L207 S214 L215 L246 F252 E253 K254L207-W269 WeakPolarHBondContact CD2-O 3.43Å; S214-W269 CarbonylContact C-O 3.51Å; S214-W269 WeakPolarHBondContact CA-O 3.26Å; S214-W269 VanDerWaalsContact CB-O 3.29Å; S214-W269 WeakPolarHBondContact CB-O 3.29Å; L215-W269 PolarHBondContact N-O 3.01Å; L215-W269 PolarHBondContact O-N 2.73Å; L246-W269 HydrophobicContact CB-CD2 3.98Å; L246-W269 HydrophobicContact CB-CE3 3.96Å; L246-W269 HydrophobicContact CB-CH2 3.98Å; L246-W269 HydrophobicContact CB-CZ2 4.01Å; L246-W269 HydrophobicContact CB-CZ3 3.96Å; L246-W269 HydrophobicContact CD1-CD2 4.25Å; L246-W269 HydrophobicContact CD1-CG 4.19Å; L246-W269 HydrophobicContact CD2-CB 4.06Å; L246-W269 HydrophobicContact CD2-CD2 3.91Å; L246-W269 HydrophobicContact CD2-CE3 4.06Å; L246-W269 HydrophobicContact CD2-CG 3.91Å; L246-W269 HydrophobicContact CG-CD2 4.27Å; L246-W269 HydrophobicContact CG-CG 4.5Å; L246-W269 WeakPolarHBondContact O-CZ3 3.39Å; F252-W269 HydrophobicContact CB-CE3 4.18Å; E253-W269 CarbonylContact O-C 3.58Å; E253-W269 WeakPolarHBondContact O-CA 3.37Å; K254-W269 HydrophobicContact CB-CE3 4.39Å; K254-W269 HydrophobicContact CB-CH2 4.21Å; K254-W269 HydrophobicContact CB-CZ2 4.46Å; K254-W269 HydrophobicContact CB-CZ3 4.16Å
270A95.3Very high82Confident12 Ų1277.1 Ų77.110%0.09944%0.441CS..EExtended strand (participates in β ladder)trans-128.6165.917500000111F252 E253 V255F252-A270 WeakPolarHBondContact CA-O 3.04Å; E253-A270 HydrophobicContact CG-CB 4.17Å; E253-A270 PolarHBondContact N-O 2.93Å; E253-A270 PolarHBondContact O-N 3.15Å; V255-A270 HydrophobicContact CG2-CB 3.49Å; V255-A270 VanDerWaalsContact CG2-CB 3.49Å
271L94.9Very high84Confident7 Ų779.6 Ų79.64%0.03744%0.444CS..EExtended strand (participates in β ladder)trans-88.1121.3174.5-166.972.3000109.1A204 L207 K208 F252 L273 I276 M279A204-L271 HydrophobicContact CB-CD1 4.23Å; L207-L271 HydrophobicContact CB-CB 4.47Å; L207-L271 HydrophobicContact CD1-CB 4.33Å; K208-L271 HydrophobicContact CG-CD2 4.46Å; F252-L271 HydrophobicContact CD1-CD1 3.94Å; F252-L271 HydrophobicContact CE1-CD1 3.65Å; L271-L273 PolarHBondContact O-N 3.41Å; L271-I276 HydrophobicContact CD2-CB 4.23Å; L271-I276 HydrophobicContact CD2-CD1 4.27Å; L271-I276 HydrophobicContact CD2-CG1 3.77Å; L271-I276 HydrophobicContact CD2-CG2 4Å; L271-I276 HydrophobicContact CG-CG1 4.03Å; L271-M279 HydrophobicContact CD1-CG 4.41Å
272N94Very high85.8Confident43 Ų4377.7 Ų77.723%0.2341%0.409CS..  trans-63.7124-177.3176.2-88.6000111C251 E253 A274 R275 I276C251-N272 PolarHBondContact O-N 3.27Å; E253-N272 WeakPolarHBondContact OE2-CA 3.33Å; E253-N272 WeakPolarHBondContact OE2-CB 3.41Å; E253-N272 PolarHBondContact OE2-ND2 3.49Å; N272-A274 PolarHBondContact O-N 3.1Å; N272-A274 VanDerWaalsContact O-N 3.11Å; N272-A274 WeakPolarHBondContact OD1-CB 3.44Å; N272-A274 PolarHBondContact OD1-N 2.78Å; N272-A274 VanDerWaalsContact OD1-N 3.1Å; N272-R275 HydrophobicContact CB-CB 4.44Å; N272-R275 HydrophobicContact CB-CG 4.48Å; N272-R275 PolarHBondContact O-N 3.1Å; N272-I276 WeakPolarHBondContact O-CG1 3.39Å; N272-I276 PolarHBondContact O-N 3.26Å
273L91.2Very high87.7Confident97 Ų9774.7 Ų74.751%0.50839%0.388SS..THydrogen-bonded Turntrans-61.7-25.5-171.2-78.381.1000114.1L271 R275 I276L271-L273 PolarHBondContact O-N 3.41Å; L273-R275 VanDerWaalsContact C-N 3.28Å; L273-R275 PolarHBondContact O-N 3.08Å; L273-I276 HydrophobicContact CG-CD1 4.29Å
274A92.6Very high89.5Confident82 Ų8272.2 Ų72.268%0.67836%0.362SS*.THydrogen-bonded Turntrans-84.92.9177.300000113.7N272N272-A274 PolarHBondContact O-N 3.1Å; N272-A274 VanDerWaalsContact O-N 3.11Å; N272-A274 WeakPolarHBondContact OD1-CB 3.44Å; N272-A274 PolarHBondContact OD1-N 2.78Å; N272-A274 VanDerWaalsContact OD1-N 3.1Å
275R91.5Very high91Very high116 Ų11665.6 Ų65.644%0.43834%0.34SS..THydrogen-bonded Turntrans-127.3-1.6-178.1-62.7-60.5-176-1690.7114.6C251 N272 L273 K278 M279C251-R275 HydrophobicContact CB-CB 4.05Å; N272-R275 HydrophobicContact CB-CB 4.44Å; N272-R275 HydrophobicContact CB-CG 4.48Å; N272-R275 PolarHBondContact O-N 3.1Å; L273-R275 VanDerWaalsContact C-N 3.28Å; L273-R275 PolarHBondContact O-N 3.08Å; R275-K278 PolarHBondContact O-N 3.37Å; R275-M279 PolarHBondContact O-N 3.27Å
276I91.3Very high92.1Very high11 Ų1160.2 Ų60.26%0.05631%0.314CS..Hα-helixtrans-57.4-54.3-178.4-56.1-172.8000110.9L271 N272 L273 K278 M279 E280 C315L271-I276 HydrophobicContact CD2-CB 4.23Å; L271-I276 HydrophobicContact CD2-CD1 4.27Å; L271-I276 HydrophobicContact CD2-CG1 3.77Å; L271-I276 HydrophobicContact CD2-CG2 4Å; L271-I276 HydrophobicContact CG-CG1 4.03Å; N272-I276 WeakPolarHBondContact O-CG1 3.39Å; N272-I276 PolarHBondContact O-N 3.26Å; L273-I276 HydrophobicContact CG-CD1 4.29Å; I276-K278 VanDerWaalsContact C-N 3.26Å; I276-K278 PolarHBondContact O-N 2.96Å; I276-M279 WeakPolarHBondContact O-CA 3.38Å; I276-M279 WeakPolarHBondContact O-CB 3.45Å; I276-M279 PolarHBondContact O-N 3.41Å; I276-E280 HydrophobicContact CG2-CG 4.12Å; I276-E280 PolarHBondContact O-N 3.36Å; I276-C315 HydrophobicContact CD1-CB 3.54Å; I276-C315 VanDerWaalsContact CD1-SG 3.53Å
277D91.6Very high92.9Very high112 Ų11259.5 Ų59.560%0.59930%0.295SS*.Hα-helixtrans-56.3-39.6-175.3-47.7-31.7000112.1E280 E281D277-E280 PolarHBondContact O-N 3.13Å; D277-E281 WeakPolarHBondContact O-CB 3.46Å; D277-E281 PolarHBondContact O-N 3.21Å
278K92.1Very high93.1Very high124 Ų12466.3 Ų66.354%0.53931%0.313SS..Hα-helixtrans-65.9-37.1175.2-179.6178.5178.2179.90112.5R275 I276 E282R275-K278 PolarHBondContact O-N 3.37Å; I276-K278 VanDerWaalsContact C-N 3.26Å; I276-K278 PolarHBondContact O-N 2.96Å; K278-E282 PolarHBondContact O-N 3.41Å; K278-E282 VanDerWaalsContact O-N 3.13Å
279M93.1Very high93.1Very high10 Ų1071.4 Ų71.45%0.04933%0.334CS..Hα-helixtrans-72.3-40.6178.6-170.163.470.400111.2A204 C251 F252 L271 R275 I276 E281 E282 M283A204-M279 HydrophobicContact CB-CE 4.5Å; A204-M279 HydrophobicContact CB-CG 3.26Å; A204-M279 HydrophobicContact CB-SD 3.8Å; C251-M279 HydrophobicContact CB-CE 3.46Å; C251-M279 VanDerWaalsContact CB-CE 3.46Å; F252-M279 HydrophobicContact CE1-CE 4.29Å; F252-M279 HydrophobicContact CZ-CE 3.86Å; L271-M279 HydrophobicContact CD1-CG 4.41Å; R275-M279 PolarHBondContact O-N 3.27Å; I276-M279 WeakPolarHBondContact O-CA 3.38Å; I276-M279 WeakPolarHBondContact O-CB 3.45Å; I276-M279 PolarHBondContact O-N 3.41Å; M279-E281 VanDerWaalsContact C-N 3.34Å; M279-E282 PolarHBondContact O-N 3.11Å; M279-M283 HydrophobicContact CG-SD 4.26Å; M279-M283 WeakPolarHBondContact O-CG 3.13Å; M279-M283 PolarHBondContact O-N 3.46Å
280E92.6Very high92.9Very high39 Ų3972.6 Ų72.618%0.18234%0.343CS..Hα-helixtrans-63.8-38.8173.5-66.5-173.4163.200111.3K208 I276 D277 M283 H284K208-E280 HydrophobicContact CD-CG 4.45Å; K208-E280 IonicContact NZ-OE1 2.69Å; K208-E280 PolarHBondContact NZ-OE1 3.37Å; I276-E280 HydrophobicContact CG2-CG 4.12Å; I276-E280 PolarHBondContact O-N 3.36Å; D277-E280 PolarHBondContact O-N 3.13Å; E280-M283 PolarHBondContact O-N 2.93Å; E280-H284 WeakPolarHBondContact O-CB 3.31Å; E280-H284 PolarHBondContact O-CD2 3.17Å; E280-H284 VanDerWaalsContact O-CD2 3.23Å; E280-H284 PolarHBondContact O-N 2.77Å
281E94Very high92.8Very high120 Ų12075.4 Ų75.456%0.56136%0.356SS*.Hα-helixtrans-61-47.9172.6-176.2176.6-153.800112.5D277 M279 M283 H284 K285D277-E281 WeakPolarHBondContact O-CB 3.46Å; D277-E281 PolarHBondContact O-N 3.21Å; M279-E281 VanDerWaalsContact C-N 3.34Å; E281-M283 VanDerWaalsContact C-N 3.3Å; E281-M283 PolarHBondContact O-N 2.78Å; E281-H284 PolarHBondContact O-N 2.81Å; E281-K285 WeakPolarHBondContact O-CB 3.34Å; E281-K285 PolarHBondContact O-N 2.96Å
282E93.6Very high92.7Very high59 Ų5977.9 Ų77.928%0.27638%0.377SS..Hα-helixtrans-61.5-38.5175.1-77.4-64.313300111.6K278 M279 K285 W286K278-E282 PolarHBondContact O-N 3.41Å; K278-E282 VanDerWaalsContact O-N 3.13Å; M279-E282 PolarHBondContact O-N 3.11Å; E282-K285 PolarHBondContact O-N 3.08Å; E282-K285 WeakPolarHBondContact OE1-CD 3.17Å; E282-K285 IonicContact OE1-NZ 2.61Å; E282-K285 PolarHBondContact OE1-NZ 3.35Å; E282-K285 IonicContact OE2-NZ 2.6Å; E282-K285 PolarHBondContact OE2-NZ 3.39Å; E282-W286 VanDerWaalsContact O-CD1 3.29Å; E282-W286 PolarHBondContact O-N 3Å; E282-W286 VanDerWaalsContact O-N 3.08Å
283M93.8Very high92.6Very high0 Ų076.3 Ų76.30%037%0.37CS..Hα-helixtrans-63.5-43.5175-74.1166.549.700112Y197 C201 A204 M205 K208 M279 E280 E281 K287 I308Y197-M283 HydrophobicContact CE1-CB 4.48Å; Y197-M283 PolarHBondContact OH-O 3.4Å; C201-M283 HydrophobicContact CB-CG 4.07Å; A204-M283 HydrophobicContact CB-SD 3.92Å; M205-M283 HydrophobicContact CG-CE 3.4Å; M205-M283 HydrophobicContact CG-SD 4.09Å; M205-M283 HydrophobicContact SD-CE 4.29Å; K208-M283 HydrophobicContact CD-CE 4.33Å; M279-M283 HydrophobicContact CG-SD 4.26Å; M279-M283 WeakPolarHBondContact O-CG 3.13Å; M279-M283 PolarHBondContact O-N 3.46Å; E280-M283 PolarHBondContact O-N 2.93Å; E281-M283 VanDerWaalsContact C-N 3.3Å; E281-M283 PolarHBondContact O-N 2.78Å; M283-K287 WeakPolarHBondContact O-CB 3.5Å; M283-K287 PolarHBondContact O-N 2.92Å; M283-I308 HydrophobicContact CE-CB 4.39Å; M283-I308 HydrophobicContact CE-CG1 3.81Å
284H93.3Very high92.7Very high80 Ų8071.7 Ų71.737%0.3735%0.346SS..Hα-helixtrans-68.1-33.9175.4-82.3-142.8000113E280 E281 R288 I308E280-H284 WeakPolarHBondContact O-CB 3.31Å; E280-H284 PolarHBondContact O-CD2 3.17Å; E280-H284 VanDerWaalsContact O-CD2 3.23Å; E280-H284 PolarHBondContact O-N 2.77Å; E281-H284 PolarHBondContact O-N 2.81Å; H284-R288 WeakPolarHBondContact O-CB 3.37Å; H284-R288 WeakPolarHBondContact O-CG 3.45Å; H284-R288 PolarHBondContact O-N 3.27Å; H284-R288 PolarHBondContact O-NE 2.86Å; H284-I308 WeakPolarHBondContact CD2-CG2 3.48Å; H284-I308 WeakPolarHBondContact NE2-CG2 3.43Å
285K94.1Very high92.7Very high100 Ų10071 Ų7144%0.43533%0.329SS..Hα-helixtrans-65.6-46.3176.7172.3-172.5173.7-162.90111E281 E282 R288 K289E281-K285 WeakPolarHBondContact O-CB 3.34Å; E281-K285 PolarHBondContact O-N 2.96Å; E282-K285 PolarHBondContact O-N 3.08Å; E282-K285 WeakPolarHBondContact OE1-CD 3.17Å; E282-K285 IonicContact OE1-NZ 2.61Å; E282-K285 PolarHBondContact OE1-NZ 3.35Å; E282-K285 IonicContact OE2-NZ 2.6Å; E282-K285 PolarHBondContact OE2-NZ 3.39Å; K285-R288 PolarHBondContact O-N 3.12Å; K285-K289 VanDerWaalsContact O-CB 3.31Å; K285-K289 WeakPolarHBondContact O-CB 3.43Å; K285-K289 PolarHBondContact O-N 3.39Å
286W92Very high92.8Very high65 Ų6572.7 Ų72.725%0.24634%0.335CS..Hα-helixtrans-66.8-41173.1-79.1106.3000112.6I196 Y197 E282 R288 K289 D290I196-W286 HydrophobicContact CB-CE3 4.06Å; I196-W286 HydrophobicContact CB-CZ3 3.96Å; I196-W286 HydrophobicContact CD1-CE3 3.61Å; I196-W286 HydrophobicContact CD1-CZ3 4.09Å; I196-W286 HydrophobicContact CG1-CD2 4.47Å; I196-W286 HydrophobicContact CG1-CE3 3.73Å; I196-W286 HydrophobicContact CG1-CZ3 4.15Å; Y197-W286 HydrophobicContact CD1-CB 3.84Å; Y197-W286 HydrophobicContact CD1-CG 4.17Å; Y197-W286 HydrophobicContact CE1-CB 3.47Å; Y197-W286 VanDerWaalsContact CE1-CB 3.47Å; Y197-W286 HydrophobicContact CE1-CG 4.26Å; E282-W286 VanDerWaalsContact O-CD1 3.29Å; E282-W286 PolarHBondContact O-N 3Å; E282-W286 VanDerWaalsContact O-N 3.08Å; W286-R288 VanDerWaalsContact C-N 3.33Å; W286-R288 PolarHBondContact O-N 3.12Å; W286-K289 HydrophobicContact CE3-CD 4.08Å; W286-K289 HydrophobicContact CZ3-CD 3.96Å; W286-K289 PolarHBondContact O-N 3.09Å; W286-K289 VanDerWaalsContact O-N 3.08Å; W286-D290 PolarHBondContact O-N 3.31Å; W286-D290 VanDerWaalsContact O-N 3.11Å
287K92.1Very high92.9Very high42 Ų4272.2 Ų72.218%0.18333%0.332CS..Hα-helixtrans-55.8-44173.7-170.5-172.5-173.3178.40112.5M283 L291 D305 I308M283-K287 WeakPolarHBondContact O-CB 3.5Å; M283-K287 PolarHBondContact O-N 2.92Å; K287-L291 HydrophobicContact CG-CD1 3.76Å; K287-L291 PolarHBondContact O-N 2.92Å; K287-D305 WeakPolarHBondContact CE-OD1 3.34Å; K287-D305 IonicContact NZ-OD1 3.59Å; K287-D305 PolarHBondContact NZ-OD1 3.43Å; K287-I308 HydrophobicContact CB-CD1 4.31Å; K287-I308 HydrophobicContact CD-CD1 3.84Å; K287-I308 HydrophobicContact CG-CD1 4.29Å
288R92.8Very high93Very high193 Ų19367 Ų6773%0.72831%0.305SS*.Hα-helixtrans-71.9-28.8175.2-74.7-177.4-67.6157.5-5.5113.6H284 K285 W286H284-R288 WeakPolarHBondContact O-CB 3.37Å; H284-R288 WeakPolarHBondContact O-CG 3.45Å; H284-R288 PolarHBondContact O-N 3.27Å; H284-R288 PolarHBondContact O-NE 2.86Å; K285-R288 PolarHBondContact O-N 3.12Å; W286-R288 VanDerWaalsContact C-N 3.33Å; W286-R288 PolarHBondContact O-N 3.12Å
289K93.4Very high93Very high150 Ų15062.6 Ų62.665%0.65229%0.291SS*.Hα-helixtrans-76.1-47.8-175.8-176.4177.5177.2-1770112.9K285 W286K285-K289 VanDerWaalsContact O-CB 3.31Å; K285-K289 WeakPolarHBondContact O-CB 3.43Å; K285-K289 PolarHBondContact O-N 3.39Å; W286-K289 HydrophobicContact CE3-CD 4.08Å; W286-K289 HydrophobicContact CZ3-CD 3.96Å; W286-K289 PolarHBondContact O-N 3.09Å; W286-K289 VanDerWaalsContact O-N 3.08Å
290D92.4Very high92.8Very high62 Ų6265.2 Ų65.233%0.33231%0.305SS..  trans-155.777.7177.7-169.2-9.9000111.8I196 W286 A292 A293 I294I196-D290 HydrophobicContact CD1-CB 3.9Å; I196-D290 WeakPolarHBondContact CD1-O 3.4Å; W286-D290 PolarHBondContact O-N 3.31Å; W286-D290 VanDerWaalsContact O-N 3.11Å; D290-A292 PolarHBondContact O-N 3.34Å; D290-A292 PolarHBondContact OD1-N 3.26Å; D290-A292 VanDerWaalsContact OD1-N 3.16Å; D290-A293 HydrophobicContact CB-CB 4.18Å; D290-A293 PolarHBondContact O-N 3.03Å; D290-A293 PolarHBondContact OD1-N 3.18Å; D290-A293 WeakPolarHBondContact OD2-CB 3.44Å; D290-I294 WeakPolarHBondContact O-CG1 3.38Å; D290-I294 PolarHBondContact O-N 2.95Å
291L92.6Very high92.6Very high72 Ų7265.3 Ų65.338%0.37731%0.309SS..Hα-helixtrans-55.8-34.7173-169.966.5000112.2K287 I294 H295 L304K287-L291 HydrophobicContact CG-CD1 3.76Å; K287-L291 PolarHBondContact O-N 2.92Å; L291-I294 PolarHBondContact O-N 3.26Å; L291-H295 WeakPolarHBondContact CD1-NE2 3.47Å; L291-H295 PolarHBondContact O-CD2 3.03Å; L291-H295 VanDerWaalsContact O-CD2 3.32Å; L291-H295 PolarHBondContact O-N 3.38Å; L291-L304 HydrophobicContact CD1-CD2 3.68Å
292A92.1Very high92.3Very high58 Ų5865.7 Ų65.748%0.47931%0.311SS..Hα-helixtrans-74.3-33.8-175.500000112.9D290 R296D290-A292 PolarHBondContact O-N 3.34Å; D290-A292 PolarHBondContact OD1-N 3.26Å; D290-A292 VanDerWaalsContact OD1-N 3.16Å; A292-R296 WeakPolarHBondContact O-CB 3.49Å; A292-R296 VanDerWaalsContact O-CG 3.25Å; A292-R296 WeakPolarHBondContact O-CG 3.14Å; A292-R296 PolarHBondContact O-N 2.88Å; A292-R296 VanDerWaalsContact O-N 3.14Å; A292-R296 PolarHBondContact O-NE 3.2Å; A292-R296 VanDerWaalsContact O-NE 3.09Å
293A93.3Very high92Very high10 Ų1066 Ų668%0.08331%0.312CS..Hα-helixtrans-69.6-37.816900000112.1I196 D290 R296 S297I196-A293 HydrophobicContact CD1-CB 4.24Å; I196-A293 HydrophobicContact CG2-CB 3.84Å; D290-A293 HydrophobicContact CB-CB 4.18Å; D290-A293 PolarHBondContact O-N 3.03Å; D290-A293 PolarHBondContact OD1-N 3.18Å; D290-A293 WeakPolarHBondContact OD2-CB 3.44Å; A293-R296 PolarHBondContact O-N 2.92Å; A293-S297 PolarHBondContact O-N 3.32Å; A293-S297 VanDerWaalsContact O-N 3.1Å; A293-S297 PolarHBondContact O-OG 3.3Å
294I92.7Very high91.7Very high0 Ų066 Ų660%031%0.312CS..Hα-helixtrans-60.9-53.2174.7-63.4160.4000109.9I196 Y197 D290 L291 R296 S297 M298 L304I196-I294 HydrophobicContact CD1-CD1 4.04Å; I196-I294 HydrophobicContact CD1-CG1 3.62Å; I196-I294 HydrophobicContact CG1-CD1 4.39Å; I196-I294 HydrophobicContact CG1-CG1 3.71Å; Y197-I294 HydrophobicContact CD2-CG1 4.31Å; Y197-I294 HydrophobicContact CD2-CG2 4.33Å; Y197-I294 HydrophobicContact CE2-CB 4.39Å; Y197-I294 HydrophobicContact CE2-CD1 3.76Å; Y197-I294 HydrophobicContact CE2-CG1 3.81Å; Y197-I294 HydrophobicContact CE2-CG2 3.63Å; Y197-I294 WeakPolarHBondContact OH-CD1 3.48Å; D290-I294 WeakPolarHBondContact O-CG1 3.38Å; D290-I294 PolarHBondContact O-N 2.95Å; L291-I294 PolarHBondContact O-N 3.26Å; I294-R296 VanDerWaalsContact C-N 3.27Å; I294-R296 PolarHBondContact O-N 3.21Å; I294-S297 WeakPolarHBondContact O-CA 3.44Å; I294-S297 PolarHBondContact O-N 3.14Å; I294-S297 PolarHBondContact O-OG 2.88Å; I294-M298 HydrophobicContact CG2-CG 4.4Å; I294-M298 HydrophobicContact CG2-SD 3.77Å; I294-M298 PolarHBondContact O-N 3.36Å; I294-L304 HydrophobicContact CB-CD2 4.31Å; I294-L304 HydrophobicContact CG2-CD1 3.8Å; I294-L304 HydrophobicContact CG2-CD2 3.53Å; I294-L304 HydrophobicContact CG2-CG 4.3Å
295H92.5Very high91.4Very high68 Ų6866.1 Ų66.132%0.31532%0.316SS..Hα-helixtrans-58.5-36.7179.5-71.8-166.7000112.6L291 S297 P301L291-H295 WeakPolarHBondContact CD1-NE2 3.47Å; L291-H295 PolarHBondContact O-CD2 3.03Å; L291-H295 VanDerWaalsContact O-CD2 3.32Å; L291-H295 PolarHBondContact O-N 3.38Å; H295-S297 VanDerWaalsContact C-N 3.31Å; H295-S297 PolarHBondContact O-N 3.48Å; H295-P301 HydrophobicContact CB-CB 3.84Å
296R92.8Very high91.1Very high152 Ų15267.2 Ų67.257%0.57432%0.32SS*.Hα-helixtrans-66.9-28.6173.6-76.3179.3-65.1148-3.6113.6Y192 P193 A292 A293 I294Y192-R296 WeakPolarHBondContact CD1-O 3.41Å; P193-R296 VanDerWaalsContact CD-O 3.31Å; P193-R296 WeakPolarHBondContact CD-O 3.41Å; P193-R296 HydrophobicContact CG-CB 4.12Å; A292-R296 WeakPolarHBondContact O-CB 3.49Å; A292-R296 VanDerWaalsContact O-CG 3.25Å; A292-R296 WeakPolarHBondContact O-CG 3.14Å; A292-R296 PolarHBondContact O-N 2.88Å; A292-R296 VanDerWaalsContact O-N 3.14Å; A292-R296 PolarHBondContact O-NE 3.2Å; A292-R296 VanDerWaalsContact O-NE 3.09Å; A293-R296 PolarHBondContact O-N 2.92Å; I294-R296 VanDerWaalsContact C-N 3.27Å; I294-R296 PolarHBondContact O-N 3.21Å
297S93.4Very high90.8Very high0 Ų064.9 Ų64.90%031%0.313CS..Hα-helixtrans-85.8-12.7-179.272.70000114.5P193 A293 I294 H295P193-S297 WeakPolarHBondContact O-CB 3.41Å; A293-S297 PolarHBondContact O-N 3.32Å; A293-S297 VanDerWaalsContact O-N 3.1Å; A293-S297 PolarHBondContact O-OG 3.3Å; I294-S297 WeakPolarHBondContact O-CA 3.44Å; I294-S297 PolarHBondContact O-N 3.14Å; I294-S297 PolarHBondContact O-OG 2.88Å; H295-S297 VanDerWaalsContact C-N 3.31Å; H295-S297 PolarHBondContact O-N 3.48Å
298M94Very high90.5Very high4 Ų463 Ų632%0.0231%0.305CS..  trans-98.4149.7-175.2-73.7-179.874.100113.4Y192 H227 F228 I294 L304 L307Y192-M298 WeakPolarHBondContact CE1-O 3.49Å; H227-M298 CarbonylContact O-C 3.45Å; H227-M298 WeakPolarHBondContact O-CA 3.34Å; F228-M298 HydrophobicContact CD1-CG 3.64Å; F228-M298 HydrophobicContact CE1-CG 3.27Å; F228-M298 HydrophobicContact CE1-SD 3.99Å; F228-M298 HydrophobicContact CZ-CE 4.5Å; F228-M298 HydrophobicContact CZ-CG 3.95Å; F228-M298 HydrophobicContact CZ-SD 4.21Å; I294-M298 HydrophobicContact CG2-CG 4.4Å; I294-M298 HydrophobicContact CG2-SD 3.77Å; I294-M298 PolarHBondContact O-N 3.36Å; M298-L304 HydrophobicContact CE-CB 4.02Å; M298-L304 HydrophobicContact CE-CD1 4.36Å; M298-L304 HydrophobicContact SD-CB 3.88Å; M298-L304 HydrophobicContact SD-CD1 3.77Å; M298-L304 HydrophobicContact SD-CD2 4.45Å; M298-L304 HydrophobicContact SD-CG 4.24Å; M298-L307 HydrophobicContact CE-CD1 4.16Å
299A91.4Very high89.8Confident30 Ų3057.3 Ų57.325%0.24830%0.295CS..SBendtrans-64.1-53.5168.500000111.3E226 H227 P229E226-A299 WeakPolarHBondContact O-CB 3.28Å; H227-A299 PolarHBondContact O-N 2.87Å; P229-A299 HydrophobicContact CG-CB 3.79Å
300N90.4Very high88.6Confident65 Ų6555 Ų5535%0.34829%0.29SS..  trans-122.387.5-172.7-53.6-16.8000108.5E302 E303N300-E302 PolarHBondContact O-N 3.16Å; N300-E303 HydrophobicContact CB-CB 4.45Å; N300-E303 HydrophobicContact CB-CG 3.96Å; N300-E303 VanDerWaalsContact CB-OE2 3.26Å; N300-E303 WeakPolarHBondContact CB-OE2 3.31Å; N300-E303 PolarHBondContact ND2-OE2 3.06Å; N300-E303 PolarHBondContact O-N 3.01Å
301P88.4Confident86.9Confident41 Ų4158.4 Ų58.427%0.26630%0.298SS..G310 helixtrans-62-28.8-175.424.9-34.8000113.5H295 E303 L304H295-P301 HydrophobicContact CB-CB 3.84Å; P301-E303 PolarHBondContact O-N 3.47Å; P301-L304 WeakPolarHBondContact O-CB 3.18Å; P301-L304 PolarHBondContact O-N 2.91Å; P301-L304 VanDerWaalsContact O-N 3.15Å
302E87.2Confident85.2Confident128 Ų12855.5 Ų55.560%0.59828%0.283SS*.G310 helixtrans-64.5-17.8177.264.6-79-178.200114.5N300N300-E302 PolarHBondContact O-N 3.16Å
303E86.6Confident83.3Confident65 Ų6559.6 Ų59.630%0.30429%0.292SS..G310 helixtrans-84.4-13.4176.2-61-169.811700112.7N300 P301 D305 K306 L307N300-E303 HydrophobicContact CB-CB 4.45Å; N300-E303 HydrophobicContact CB-CG 3.96Å; N300-E303 VanDerWaalsContact CB-OE2 3.26Å; N300-E303 WeakPolarHBondContact CB-OE2 3.31Å; N300-E303 PolarHBondContact ND2-OE2 3.06Å; N300-E303 PolarHBondContact O-N 3.01Å; P301-E303 PolarHBondContact O-N 3.47Å; E303-D305 VanDerWaalsContact C-N 3.3Å; E303-D305 PolarHBondContact O-N 2.83Å; E303-K306 WeakPolarHBondContact O-CB 3.47Å; E303-K306 PolarHBondContact O-N 2.91Å; E303-K306 VanDerWaalsContact O-N 3.1Å; E303-L307 HydrophobicContact CB-CD1 4.47Å; E303-L307 WeakPolarHBondContact O-CG 3.46Å; E303-L307 PolarHBondContact O-N 3.13Å
304L88.6Confident81.5Confident0 Ų062 Ų620%031%0.309CS..Hα-helixtrans-57.4-41.8179.5-178.364.9000112.6Y197 L291 I294 M298 P301 K306 I308Y197-L304 HydrophobicContact CE2-CD1 4.12Å; L291-L304 HydrophobicContact CD1-CD2 3.68Å; I294-L304 HydrophobicContact CB-CD2 4.31Å; I294-L304 HydrophobicContact CG2-CD1 3.8Å; I294-L304 HydrophobicContact CG2-CD2 3.53Å; I294-L304 HydrophobicContact CG2-CG 4.3Å; M298-L304 HydrophobicContact CE-CB 4.02Å; M298-L304 HydrophobicContact CE-CD1 4.36Å; M298-L304 HydrophobicContact SD-CB 3.88Å; M298-L304 HydrophobicContact SD-CD1 3.77Å; M298-L304 HydrophobicContact SD-CD2 4.45Å; M298-L304 HydrophobicContact SD-CG 4.24Å; P301-L304 WeakPolarHBondContact O-CB 3.18Å; P301-L304 PolarHBondContact O-N 2.91Å; P301-L304 VanDerWaalsContact O-N 3.15Å; L304-K306 VanDerWaalsContact C-N 3.3Å; L304-K306 PolarHBondContact O-N 2.99Å; L304-I308 HydrophobicContact CD1-CD1 3.52Å; L304-I308 HydrophobicContact CD1-CG1 4.16Å; L304-I308 HydrophobicContact CG-CD1 3.84Å; L304-I308 WeakPolarHBondContact O-CB 3.48Å; L304-I308 VanDerWaalsContact O-CG1 3.28Å; L304-I308 WeakPolarHBondContact O-CG1 3.36Å; L304-I308 PolarHBondContact O-N 3.48Å; L304-I308 VanDerWaalsContact O-N 3.12Å
305D86.8Confident79.5Confident83 Ų8362.6 Ų62.644%0.44431%0.312SS..Hα-helixtrans-63.6-37.6178.8-81.6-55.7000111.9K287 E303 S309K287-D305 WeakPolarHBondContact CE-OD1 3.34Å; K287-D305 IonicContact NZ-OD1 3.59Å; K287-D305 PolarHBondContact NZ-OD1 3.43Å; E303-D305 VanDerWaalsContact C-N 3.3Å; E303-D305 PolarHBondContact O-N 2.83Å; D305-S309 WeakPolarHBondContact O-CB 3.42Å; D305-S309 PolarHBondContact O-N 2.6Å; D305-S309 PolarHBondContact O-OG 2.95Å
306K87.8Confident77.6Confident123 Ų12367.5 Ų67.554%0.53533%0.328SS..Hα-helixtrans-67.7-56.2177-62.4173.8173.1-67.20110.9E303 L304 I308 S309 D310E303-K306 WeakPolarHBondContact O-CB 3.47Å; E303-K306 PolarHBondContact O-N 2.91Å; E303-K306 VanDerWaalsContact O-N 3.1Å; L304-K306 VanDerWaalsContact C-N 3.3Å; L304-K306 PolarHBondContact O-N 2.99Å; K306-I308 PolarHBondContact O-N 3.22Å; K306-S309 PolarHBondContact O-N 3.49Å; K306-S309 VanDerWaalsContact O-N 3.13Å; K306-D310 WeakPolarHBondContact CB-OD2 3.46Å; K306-D310 VanDerWaalsContact O-CB 3.26Å; K306-D310 WeakPolarHBondContact O-CB 3.33Å; K306-D310 PolarHBondContact O-N 3.26Å
307L86.1Confident75.4Confident16 Ų1670.8 Ų70.88%0.08434%0.341CS..Hα-helixtrans-55.7-27.7179.7-65.5170.9000113.7F223 M298 E303F223-L307 HydrophobicContact CE2-CD2 3.81Å; F223-L307 HydrophobicContact CZ-CD1 4.12Å; F223-L307 HydrophobicContact CZ-CD2 3.88Å; M298-L307 HydrophobicContact CE-CD1 4.16Å; E303-L307 HydrophobicContact CB-CD1 4.47Å; E303-L307 WeakPolarHBondContact O-CG 3.46Å; E303-L307 PolarHBondContact O-N 3.13Å
308I85.4Confident73Confident2 Ų277.1 Ų77.11%0.0138%0.382CS..Hα-helixtrans-90-43.8177.1-68.6179000112.4Y197 K208 M283 H284 K287 L304 K306Y197-I308 WeakPolarHBondContact OH-CD1 3.48Å; K208-I308 PolarHBondContact NZ-O 3.16Å; M283-I308 HydrophobicContact CE-CB 4.39Å; M283-I308 HydrophobicContact CE-CG1 3.81Å; H284-I308 WeakPolarHBondContact CD2-CG2 3.48Å; H284-I308 WeakPolarHBondContact NE2-CG2 3.43Å; K287-I308 HydrophobicContact CB-CD1 4.31Å; K287-I308 HydrophobicContact CD-CD1 3.84Å; K287-I308 HydrophobicContact CG-CD1 4.29Å; L304-I308 HydrophobicContact CD1-CD1 3.52Å; L304-I308 HydrophobicContact CD1-CG1 4.16Å; L304-I308 HydrophobicContact CG-CD1 3.84Å; L304-I308 WeakPolarHBondContact O-CB 3.48Å; L304-I308 VanDerWaalsContact O-CG1 3.28Å; L304-I308 WeakPolarHBondContact O-CG1 3.36Å; L304-I308 PolarHBondContact O-N 3.48Å; L304-I308 VanDerWaalsContact O-N 3.12Å; K306-I308 PolarHBondContact O-N 3.22Å
309S76.9Confident70.4Confident74 Ų7480 Ų8052%0.51741%0.412SS..Hα-helixtrans-94.4-24.4-168.8-43.90000114.1D305 K306 R311D305-S309 WeakPolarHBondContact O-CB 3.42Å; D305-S309 PolarHBondContact O-N 2.6Å; D305-S309 PolarHBondContact O-OG 2.95Å; K306-S309 PolarHBondContact O-N 3.49Å; K306-S309 VanDerWaalsContact O-N 3.13Å; S309-R311 PolarHBondContact O-N 3.16Å
310D68.8Low67.7Low103 Ų10388.3 Ų88.355%0.55144%0.443SS*.  trans-66.4109.6173.3-69.5-31.2000108.3K208 K306 P312K208-D310 WeakPolarHBondContact CE-O 3.2Å; K208-D310 PolarHBondContact NZ-O 3.46Å; K306-D310 WeakPolarHBondContact CB-OD2 3.46Å; K306-D310 VanDerWaalsContact O-CB 3.26Å; K306-D310 WeakPolarHBondContact O-CB 3.33Å; K306-D310 PolarHBondContact O-N 3.26Å; D310-P312 WeakPolarHBondContact O-CD 3.42Å
311R57.8Low65.3Low133 Ų13391.6 Ų91.650%0.50247%0.468SS..  trans-85.8110.6175.8176.1-173.5175.114111.6107.7S309 E313 C315S309-R311 PolarHBondContact O-N 3.16Å; R311-E313 PolarHBondContact O-N 3.43Å; R311-C315 PolarHBondContact NH2-O 3.35Å
312P55.7Low63.1Low10 Ų1093 Ų937%0.06549%0.49CS..  trans-56.5132.1-174.420.8-32.7000111.6K208 D310 S314 C315K208-P312 HydrophobicContact CG-CG 4.23Å; D310-P312 WeakPolarHBondContact O-CD 3.42Å; P312-S314 PolarHBondContact O-N 2.92Å; P312-C315 HydrophobicContact CG-CB 4.07Å; P312-C315 WeakPolarHBondContact O-CA 3.32Å; P312-C315 WeakPolarHBondContact O-CB 3.4Å; P312-C315 PolarHBondContact O-N 2.9Å
313E52.9Low60.4Low144 Ų14496.1 Ų96.167%0.67350%0.504SS*.G310 helixtrans-58.3-33.8-175.2-78.462.1-144.400112.3R311 C315 R316R311-E313 PolarHBondContact O-N 3.43Å; E313-C315 PolarHBondContact O-N 3.28Å; E313-C315 VanDerWaalsContact O-N 3.09Å; E313-R316 WeakPolarHBondContact O-CB 3.46Å; E313-R316 PolarHBondContact O-N 2.93Å
314S54.7Low58.5Low61 Ų6198.4 Ų98.443%0.42753%0.525SS..G310 helixtrans-60.8-15.2173.258.50000114.1G213 P312G213-S314 WeakPolarHBondContact CA-OG 3.2Å; P312-S314 PolarHBondContact O-N 2.92Å
315C52.1Low56.1Low12 Ų12107.7 Ų107.78%0.08157%0.568CS.*G310 helixtrans-110.411.6178.4-57.60000112.6I276 R311 P312 E313I276-C315 HydrophobicContact CD1-CB 3.54Å; I276-C315 VanDerWaalsContact CD1-SG 3.53Å; R311-C315 PolarHBondContact NH2-O 3.35Å; P312-C315 HydrophobicContact CG-CB 4.07Å; P312-C315 WeakPolarHBondContact O-CA 3.32Å; P312-C315 WeakPolarHBondContact O-CB 3.4Å; P312-C315 PolarHBondContact O-N 2.9Å; E313-C315 PolarHBondContact O-N 3.28Å; E313-C315 VanDerWaalsContact O-N 3.09Å
316R52Low53.7Low172 Ų172108.1 Ų108.165%0.64958%0.584SS**SBendtrans-73.8128.6151.7-68.4-168.5-177.4-144.25.3107.7E313E313-R316 WeakPolarHBondContact O-CB 3.46Å; E313-R316 PolarHBondContact O-N 2.93Å
317R46.9Very low51.8Low220 Ų220108 Ų10883%0.8360%0.596SS**  trans-56.8142161.3-83-171.7-78.9175.1-6.6108.1G319R317-G319 PolarHBondContact O-N 3.24Å
318P41.6Very low49.3Very low134 Ų134116.6 Ų116.687%0.8764%0.638SS**  trans-56106.1163.9-23.434.2000109
319G39.7Very low47Very low64 Ų64122.8 Ų122.866%0.6667%0.67SS**PPolyproline II helixtrans-65.3145.5169.600000108.9R317R317-G319 PolarHBondContact O-N 3.24Å
320K35.8Very low45.4Very low204 Ų204125.4 Ų125.489%0.88768%0.683SS**PPolyproline II helixtrans-59.8127.5169.3-69.3-177.8175.7-177.60107.9G322K320-G322 PolarHBondContact O-N 3.35Å
321P39.1Very low43.8Very low135 Ų135128.8 Ų128.888%0.87770%0.695SS**PPolyproline II helixtrans-67.7121.717727.8-33.1000108.7
322G42.3Very low42.7Very low71 Ų71126.9 Ų126.973%0.73271%0.708SS**  trans172.638.1-170.400000118.3K320K320-G322 PolarHBondContact O-N 3.35Å
323E31.7Very low41.9Very low192 Ų192132.6 Ų132.690%0.89774%0.743SS**  trans-158.7154.4143.2-103.9-159.1115.600110.2
324P45.6Very low41.1Very low114 Ų114132.5 Ų132.574%0.7475%0.752SS**PPolyproline II helixtrans-86.2138.4-175.633.3-33.3000113.2
325E37.8Very low40.5Very low194 Ų194135.2 Ų135.291%0.90777%0.766SS**PPolyproline II helixtrans-63.9131.5171-72.9-103.1117.100111.7
326A36.2Very low39.8Very low92 Ų92139.3 Ų139.376%0.7680%0.8SS**PPolyproline II helixtrans-95117.4168.900000110M328A326-M328 PolarHBondContact O-N 3.28Å
327P48.3Very low39.3Very low122 Ų122139.7 Ų139.779%0.79281%0.812SS**PPolyproline II helixtrans-73.2122.8-175.428.5-34.2000111.7L329P327-L329 PolarHBondContact O-N 3.09Å; P327-L329 VanDerWaalsContact O-N 3.08Å
328M33.4Very low38.9Very low196 Ų196132.6 Ų132.697%0.96680%0.8SS**  trans-76.796.5178.5-162177-164.900110.7A326A326-M328 PolarHBondContact O-N 3.28Å
329L38.2Very low38.7Very low131 Ų131134.2 Ų134.269%0.68680%0.796SS**  trans-89.7132.9-174.4-161.3148.4000112.2P327 H331P327-L329 PolarHBondContact O-N 3.09Å; P327-L329 VanDerWaalsContact O-N 3.08Å; L329-H331 PolarHBondContact O-N 3.18Å
330T42.6Very low38.3Very low129 Ų129136.4 Ų136.479%0.79180%0.801SS**  trans-68.6121.6-177.650.90000112.9
331H36.1Very low38.3Very low175 Ų175131.8 Ų131.881%0.8179%0.793SS**  trans-111.1112.6168.8-87.1-88.3000112.2L329L329-H331 PolarHBondContact O-N 3.18Å
332A34.2Very low38.2Very low93 Ų93133.8 Ų133.877%0.76980%0.796SS**  trans-91.5160.2167.600000111.3
333T38.1Very low37.8Very low130 Ų130134.1 Ų134.180%0.79880%0.799SS**  trans-29.1132.6174.1-50.70000117.1
334T37.4Very low38Very low141 Ų141133.2 Ų133.287%0.86580%0.799SS**  trans-149.8147.6146.1-73.40000109.1
335V41.3Very low37.3Very low118 Ų118132.7 Ų132.772%0.71580%0.798SS**  trans-109138.8-171.2174.10000111
336A38.3Very low37.1Very low98 Ų98132.9 Ų132.981%0.8180%0.798SS**  trans-150.5138.1159.800000111.6
337M40.7Very low37.1Very low180 Ų180136 Ų13689%0.88780%0.801SS**  trans-112.4170.7164.2-50.9-173.2-179.600107.1
338A38Very low37Very low71 Ų71135.6 Ų135.659%0.58780%0.799SS**  cis-165.4-162-0.400000108.6
339H37.6Very low37.6Very low169 Ų169131.7 Ų131.778%0.78279%0.788SS**  trans97.5113.9150.8-56.9-79.3000120.5
340S32.3Very low37.4Very low109 Ų109134.9 Ų134.976%0.76280%0.797SS**  trans70.2152.4131.1-57.50000121.2
341C34.7Very low37.8Very low107 Ų107134.1 Ų134.172%0.72379%0.794SS**  cis-170.3131-36.9-114.40000110.5
342L37.2Very low37.6Very low177 Ų177133.3 Ų133.393%0.92780%0.795SS**  trans53134152.6-54.6177.5000121.8
343G34Very low37.7Very low78 Ų78136.6 Ų136.680%0.80480%0.796SS**  trans-157.7136.9166.700000111.4
344I36.1Very low37.5Very low174 Ų174135.8 Ų135.889%0.89279%0.791SS**  trans-94.4154.2-154.6-68.3168.6000115.2
345S31.6Very low37.3Very low103 Ų103135.7 Ų135.772%0.7279%0.785SS**  trans-54.3160-177.9-40.10000119
346Q32Very low37Very low197 Ų197135.2 Ų135.292%0.92179%0.786SS**  -158.2157.9126.7-112.1169.110800113.6
347L36.5Very low36.7Very low157 Ų157138.8 Ų138.882%0.82279%0.791SS**  trans-109.4-179.9176.4-123.581.1000109.1
348P46.2Very low36.3Very low114 Ų114139.8 Ų139.874%0.7479%0.794SS**  cis-136-14230.732.7-5.2000114
349P47Very low36.3Very low115 Ų115141.7 Ų141.775%0.74780%0.803SS**  -116.4-176.2-88.638.6-24.5000116.3
350K34Very low36.2Very low197 Ų197140.8 Ų140.886%0.85781%0.809SS**  trans-83.2-173.8-174.8-43.9175.1-178.4174.60112.3
351P50.9Low37.4Very low113 Ų113141 Ų14173%0.73481%0.808SS**  cis-139.3174.2-2.842.9-26.1000116.9
352L30.7Very low37.3Very low159 Ų159144.3 Ų144.383%0.83282%0.817SS**  -171.6139.3124.6-101.9170.1000113
353M37.7Very low37.1Very low162 Ų162143.1 Ų143.180%0.79881%0.807SS**  trans-2.2156.2150.3-62.6-60.7176.400120.4
354T33.3Very low37.3Very low113 Ų113146.7 Ų146.769%0.69380%0.802SS**  cis-177.6178.2-13.8-160.30000106.7
355L33.8Very low36.9Very low138 Ų138146 Ų14672%0.72380%0.795SS**  cis-149.7175.410.7-132.5-169.3000108.9
356S33.5Very low36.8Very low108 Ų108147.1 Ų147.176%0.75580%0.797SS**  trans-139154.9166.2-68.10000112
357L32.1Very low36.7Very low173 Ų173146 Ų14691%0.90679%0.792SS**  trans-127.4143174-75175.4000111.7
358Q33.3Very low37.5Very low201 Ų201142.9 Ų142.994%0.93978%0.781SS**  trans-152.4148.7176.9-158.9168.232.800109.1
359S37.9Very low36.7Very low111 Ų111145.5 Ų145.578%0.77678%0.783SS**  trans-148.8139.3-160.7490000115.6
360V35.9Very low36Very low151 Ų151145.4 Ų145.492%0.91578%0.781SS**  trans-160.9169.9165.1-105.70000109.7
361P56.8Low35.9Very low114 Ų114143.4 Ų143.474%0.7477%0.774SS**  trans-128.3-175.2-134.645.6-33.1000118.3
362L32.3Very low35.1Very low175 Ų175145.6 Ų145.692%0.91678%0.779SS**  trans-149.6-158.7166.2-147.266.4000113.6
363H34.5Very low35Very low153 Ų153142.3 Ų142.371%0.70878%0.775SS**  trans-152.8177.8-159.7-167.4-113.5000115.3
364H36.4Very low35.7Very low152 Ų152140 Ų14070%0.70477%0.772SS**  trans75.8160.9174.6-62.7131000117.6
365Q29.2Very low35.6Very low161 Ų161141.7 Ų141.775%0.75278%0.777SS**  cis-178.2167.2-26.7-173.1-164.6-13.700109.4
366V28.7Very low35.7Very low126 Ų126140 Ų14076%0.76478%0.777SS**  trans94.3155.1158-168.80000119.5
367Q30.9Very low36.7Very low174 Ų174140.9 Ų140.981%0.81378%0.78SS**  trans-151.1-160.2-177.5-134.1-154.91500109.5
368P52.3Low36.8Very low91 Ų91137 Ų13759%0.59177%0.772SS**  cis-140.2-146.610.235.8-8.1000115.5
369Q30.3Very low38.1Very low169 Ų169133.6 Ų133.679%0.7977%0.768SS**  trans78.6157.8165.7-58.6-167.8-100.700118.7
370T31.8Very low37.7Very low112 Ų112133 Ų13369%0.68777%0.769SS**  cis-161.6-162.8-2132.40000107.6
371H32Very low37.6Very low156 Ų156133.8 Ų133.872%0.72276%0.763SS**  cis-167.9168.510.7-151.7-153000113.8
372L32.8Very low36.4Very low158 Ų158134 Ų13483%0.82776%0.762SS**  trans68.7159.7161.4-77.2166.1000122.8
373A28.6Very low37.1Very low91 Ų91131.2 Ų131.275%0.75276%0.755SS**  trans-136.7-163.4-166.300000111.6
374P53.5Low38.5Very low114 Ų114129.7 Ų129.774%0.7476%0.758SS**  cis-122.8-144.52432.5-6.6000112.8
375D30.9Very low38.4Very low148 Ų148129.5 Ų129.579%0.79176%0.762SS**  cis-159.7-1588.3-144.3-58.7000113.1
376S35.9Very low38.7Very low103 Ų103130.1 Ų130.172%0.7276%0.764SS**  trans-140.9-172.6-172.1-130.10000113.8
377P54.3Low39Very low126 Ų126128.2 Ų128.282%0.81876%0.762SS**  cis-141.5-167.533.542.8-20.4000118.1
378A34.6Very low39.2Very low91 Ų91127.2 Ų127.275%0.75276%0.762SS**  trans-118.7-145.4-176.200000112
379P60.4Low39.1Very low130 Ų130129.1 Ų129.184%0.84477%0.774SS**  cis-143.1175.60.544.5-25.1000119.3
380A29.9Very low39.3Very low98 Ų98127.8 Ų127.881%0.8177%0.772SS**  trans-170.1177.3164.200000111.3
381Q34.3Very low39.3Very low168 Ų168130.3 Ų130.379%0.78578%0.781SS**  -154.8-177.3-63.7-109.6-61.51.300111.2
382T31.3Very low39.6Very low118 Ų118128.3 Ų128.372%0.72478%0.784SS**  trans-143.4-175-171.160.70000111.9
383P45.9Very low40.8Very low116 Ų116127.1 Ų127.175%0.75379%0.786SS**  cis-138.4-174.91.242.6-22.2000117.4
384P64.9Low40.9Very low121 Ų121126.2 Ų126.279%0.78679%0.785SS**  trans-120.9-176.2179.943.3-32.6000115.4
385L34.2Very low40.8Very low149 Ų149127.1 Ų127.178%0.7879%0.791SS**  trans-170159.6159.1-111.8178.8000119.2
386H35.5Very low41.1Very low173 Ų173127.9 Ų127.980%0.80179%0.794SS**  trans84.1156.6157-79.8-61.2000124.7
387A33.7Very low41.5Very low87 Ų87128.9 Ų128.972%0.71980%0.798SS**  trans-153.4165.6-149.200000116.5
388L35.4Very low40.5Very low153 Ų153131.9 Ų131.980%0.80180%0.802SS**  trans38.1145.8148-88.7168.5000122.2
389P51.6Low41.4Very low131 Ų131132.9 Ų132.985%0.85180%0.8SS**  -147.1-155.372.440.5-19.2000116.9
390N33Very low40.2Very low141 Ų141133.8 Ų133.875%0.75480%0.803SS**  trans-146.3159.2-151.2-177.219.3000113.6
391L33.3Very low40.4Very low165 Ų165138.1 Ų138.186%0.86481%0.809SS**  trans-151167.9174.7-94.7176.4000114.7
392S37.7Very low40.2Very low113 Ų113133.7 Ų133.779%0.7981%0.808SS**  trans-121.2172.7-150.7-64.10000118
393P56.8Low40.3Very low133 Ų133139.6 Ų139.686%0.86482%0.817SS**  trans-124.3179.1-159.744.6-33.6000118.8
394G32.1Very low40.3Very low72 Ų72138.9 Ų138.974%0.74281%0.812SS**  trans136.7173.6161.500000115.2
395P51Low39.6Very low134 Ų134138 Ų13887%0.8781%0.807SS**  cis-136.3-167.2-14.442.9-24.2000115.2
396L36.9Very low39.5Very low163 Ų163134.5 Ų134.585%0.85381%0.806SS**  trans-98170.3179.4-75.5166000114.9
397P43.7Very low39.4Very low124 Ų124132.5 Ų132.581%0.80580%0.801SS**  trans-129.3174.4139.638-27.3000114.8
398Q34.5Very low39.4Very low190 Ų190138.2 Ų138.289%0.88881%0.811SS**  trans-132.8175.4-171.4-106.3-152.412.500113.8
399P53.7Low39.5Very low111 Ų111139.2 Ų139.272%0.72182%0.816SS**  trans-98178-155.939.5-39.4000117.3
400V34.7Very low38.6Very low150 Ų150140.3 Ų140.391%0.90982%0.815SS**  trans-133.2157.9174.8173.20000110.5
401M34.4Very low38.8Very low189 Ų189141 Ų14193%0.93182%0.817SS**  trans-127.8148.7-164.6-163.5171.5-16500113
402G30.1Very low38.8Very low74 Ų74137.4 Ų137.476%0.76381%0.805SS**  trans-145.4-17.9-164.700000122.8
403R32.3Very low38.7Very low243 Ų243137.3 Ų137.392%0.91780%0.8SS**  trans63.3167.6173.7-94.1-144.1138.1162.2-5.1119.8
404P47Very low37.6Very low100 Ų100137.7 Ų137.765%0.64980%0.795SS**  trans-129.2-149-156.348.3-30.3000111.4
405P49.8Very low37.8Very low104 Ų104141.4 Ų141.468%0.67579%0.794SS**  cis-135.3173.4-7.339.2-20000117.7
406G33.2Very low37.2Very low74 Ų74141.3 Ų141.376%0.76379%0.787SS**  trans-143.9126.814900000107.9
407D32.3Very low37.5Very low131 Ų131140.5 Ų140.570%0.70179%0.789SS**  trans-86.5142.1-160.4-51.8-85.2000114.6
408F33.6Very low37.7Very low208 Ų208143.4 Ų143.491%0.91279%0.791SS**  -163.9159.9116.9-99.1-66.2000110.3
409L37.4Very low38.4Very low174 Ų174141.6 Ų141.691%0.91179%0.793SS**  trans-95.4149.6-155.9-68.6163.2000115.1
410N34.1Very low38.4Very low154 Ų154143.7 Ų143.782%0.82480%0.798SS**  trans-143.7122.5167.8178.623.6000110.7
411I36.7Very low39Very low156 Ų156141.3 Ų141.380%0.879%0.794SS**  trans-171.9141.2167.7-123.5168.3000107.5
412S32.8Very low39.7Very low88 Ų88140 Ų14062%0.61579%0.791SS**  cis-127.6146.80.5-67.30000109.1
413T35.5Very low40.3Very low111 Ų111141.5 Ų141.568%0.68178%0.781SS**  45138.979.134.20000115.3
414D33.2Very low41.1Very low142 Ų142135.8 Ų135.876%0.75978%0.775SS**  cis-155.6162.517.7-126.8-47.6000113
415M37.3Very low41.1Very low149 Ų149134.9 Ų134.973%0.73477%0.771SS**  trans161.4133.9146.7-85.4-116.379.200114
416N37.9Very low41.2Very low133 Ų133137.1 Ų137.171%0.71178%0.776SS**  trans70.887.9159-55-34.8000119.3
417T44.2Very low42.1Very low145 Ų145141.7 Ų141.789%0.8978%0.779SS**  trans-121.956.5164.6-46.60000110.8
418E47.2Very low42.6Very low185 Ų185141.7 Ų141.786%0.86478%0.779SS**  trans-14183.5-179.6-69.7-171.1177.500112.2
419V48.4Very low43Very low153 Ų153141.5 Ų141.593%0.92778%0.779SS**  trans-167.167.5156.3-91.60000110.4
420D53.6Low43.4Very low155 Ų155137.7 Ų137.783%0.82977%0.772SS**  trans-145.887.5159.8-156.2-4.6000111.7
421A47Very low44.2Very low100 Ų100137.6 Ų137.683%0.82677%0.771SS**  trans-161.151.7175.300000109.2
422L49.7Very low44.5Very low162 Ų162139.3 Ų139.385%0.84878%0.775SS**  trans-75.7131.6176-72.8174.5000110.6
423D42.7Very low45.4Very low105 Ų105138 Ų13856%0.56178%0.776SS**  trans-62.4123.9178.4173.918.4000111.2S425D423-S425 PolarHBondContact O-N 3.37Å; D423-S425 PolarHBondContact OD1-N 3.19Å; D423-S425 WeakPolarHBondContact OD2-CB 3.34Å; D423-S425 PolarHBondContact OD2-OG 3.23Å
424P50.4Low46.2Very low123 Ų123140 Ų14080%0.79978%0.782SS**THydrogen-bonded Turntrans-72.514.9179.931.4-36.9000114.6
425S46.8Very low47.1Very low81 Ų81140.2 Ų140.257%0.56678%0.783SS**THydrogen-bonded Turntrans-79-17.1177.2730000115.2D423 M427D423-S425 PolarHBondContact O-N 3.37Å; D423-S425 PolarHBondContact OD1-N 3.19Å; D423-S425 WeakPolarHBondContact OD2-CB 3.34Å; D423-S425 PolarHBondContact OD2-OG 3.23Å; S425-M427 VanDerWaalsContact C-N 3.26Å; S425-M427 PolarHBondContact O-N 3.4Å
426I50.2Low47.7Very low150 Ų150143.6 Ų143.677%0.76979%0.788SS**  trans-85.249-172.5-160.3165.8000114.4
427M53.7Low48.2Very low170 Ų170144.4 Ų144.484%0.83779%0.787SS**  trans-12833.9178.9-162.781.981.600113S425S425-M427 VanDerWaalsContact C-N 3.26Å; S425-M427 PolarHBondContact O-N 3.4Å
428D42.6Very low48.4Very low131 Ų131145.4 Ų145.470%0.70178%0.782SS**  trans-135.532.7-176.9-154.8-135.3000115.5
429F41.4Very low48.8Very low205 Ų205142.4 Ų142.490%0.89978%0.776SS**  trans-109.623.6170.9-76.5-71.9000113.6
430A45.3Very low48.7Very low93 Ų93142.9 Ų142.977%0.76977%0.765SS**SBendtrans-97.9-5.6-178.600000114.6
431L52Low48.3Very low153 Ų153142.6 Ų142.680%0.80176%0.759SS**SBendtrans-130.750-170.2-83.7173.2000114.9
432Q42.6Very low48Very low191 Ų191145.5 Ų145.589%0.89376%0.761SS**  trans-15293.2151.9-115.415746.400111.9
433G51.8Low47.8Very low61 Ų61142.4 Ų142.463%0.62975%0.753SS**  trans-71.2178.8153.300000110.8
434N51.6Low47.6Very low152 Ų152147.1 Ų147.181%0.81377%0.769SS**  trans77.355.4176.2-44.2-10.8000115.6
435L51.9Low46.8Very low148 Ų148147.2 Ų147.278%0.77577%0.772SS**SBendtrans-146.426.4158.2-151.475000114
436W50.7Low46.5Very low220 Ų220151.5 Ų151.583%0.83379%0.788SS**SBendtrans-124.51.7179.6-105.4119.9000115
437E48.8Very low45.9Very low150 Ų150153.2 Ų153.270%0.70179%0.792SS**SBendtrans-96.4-31177.9-63.3-174.6128.400112V439 K440E437-V439 PolarHBondContact O-N 3.17Å; E437-K440 WeakPolarHBondContact O-CB 3.35Å; E437-K440 PolarHBondContact O-N 3.32Å
438E47.4Very low45Very low165 Ų165151.6 Ų151.677%0.77179%0.792SS**THydrogen-bonded Turntrans-71.9-23-173.5-163.1168-157.600114.6K440E438-K440 VanDerWaalsContact C-N 3.27Å; E438-K440 PolarHBondContact O-N 3Å
439V55.7Low44.9Very low122 Ų122153.3 Ų153.374%0.73980%0.801SS**THydrogen-bonded Turntrans-88.58.3178.8-172.30000112.1E437E437-V439 PolarHBondContact O-N 3.17Å
440K47.4Very low44.4Very low163 Ų163146.8 Ų146.871%0.70979%0.791SS**SBendtrans-109-21.9-172.4-163.6-177.7169-158.80114.7E437 E438E437-K440 WeakPolarHBondContact O-CB 3.35Å; E437-K440 PolarHBondContact O-N 3.32Å; E438-K440 VanDerWaalsContact C-N 3.27Å; E438-K440 PolarHBondContact O-N 3Å
441E43.7Very low44.1Very low149 Ų149146.6 Ų146.670%0.69679%0.789SS**SBendtrans-81.4-22.1-170.8-63.4-58119.600114.1S443E441-S443 PolarHBondContact O-N 2.98Å
442D42.6Very low43Very low162 Ų162150.1 Ų150.187%0.86680%0.799SS**THydrogen-bonded Turntrans-76.817-169-124.6-7000115
443S45.6Very low42.5Very low97 Ų97144.5 Ų144.568%0.67879%0.792SS**THydrogen-bonded Turntrans-158.145.6179.7-80.50000116.1E441E441-S443 PolarHBondContact O-N 2.98Å
444F37Very low41.5Very low204 Ų204149.1 Ų149.190%0.89580%0.802SS**  trans-151.3116.5146.2-83-62.6000112.2
445S34.6Very low40.5Very low125 Ų125146.8 Ų146.887%0.87480%0.798SS**  trans-156.885.8168.4-82.80000110.1
446L39.4Very low40.8Very low171 Ų171145 Ų14590%0.89580%0.796SS**  trans-154.853.1178.2-165.570.9000113.2
447E37.8Very low40Very low185 Ų185142.8 Ų142.886%0.86480%0.799SS**  trans-163.875.2162.148.1-169.4148.400114.9
448T36.1Very low39Very low137 Ų137138.7 Ų138.784%0.8480%0.797SS**  trans-176.7142150.811.70000108.3
449L39.7Very low38.4Very low167 Ų167137.1 Ų137.187%0.87480%0.803SS**  cis-127.8162.74.5-87.2147000110.5
450G31.8Very low37.2Very low68 Ų68138.4 Ų138.470%0.70181%0.806SS**  trans-98.9162.9165.300000113
451A37.2Very low36.6Very low88 Ų88138.7 Ų138.773%0.72781%0.814SS**  trans6797167.200000119
452F30.6Very low36Very low227 Ų227134.6 Ų134.6100%0.99681%0.812SS**  trans-177.3141.6133.2-69.3-54.8000105.4
453G30.4Very low35.7Very low74 Ų74131.4 Ų131.476%0.76381%0.807SS**  cis-164.7-164.2-3.900000108.6
454D32.3Very low35.8Very low157 Ų157132.9 Ų132.984%0.8482%0.815SS**  trans-66143.3-170.1-70.7-95.1000118.4
455S30.5Very low35.4Very low104 Ų104128.3 Ų128.373%0.72781%0.808SS**  trans28.2161.3130.3-50.90000122.8
456P57.2Low35.4Very low110 Ų110130.1 Ų130.171%0.71481%0.807SS**  cis-134.3-165.5-43.539.9-22.3000111.7
457L34.6Very low35.2Very low174 Ų174127.7 Ų127.791%0.91180%0.799SS**  trans143.1154.6144.9-77.8169.6000115.6
458G27.4Very low35.8Very low63 Ų63124.6 Ų124.665%0.64980%0.795SS**  trans92.3106.7171.900000113.8
459C35.5Very low35.7Very low133 Ų133125.1 Ų125.190%0.89980%0.798SS**  64.2133.661.1-52.50000112.8
460D29.1Very low35.5Very low149 Ų149123.1 Ų123.180%0.79780%0.798SS**  cis-144.5159.117.4-17734.4000112.9
461L36.5Very low35.5Very low169 Ų169123.8 Ų123.889%0.88581%0.805SS**  trans-139.6111.4172.1-115176.1000109.7A463L461-A463 PolarHBondContact O-N 2.59Å
462G30Very low35.2Very low63 Ų63125.6 Ų125.665%0.64981%0.812SS**  trans-75.6111.5-16400000116.3
463A37.5Very low35.2Very low94 Ų94118.4 Ų118.478%0.77780%0.803SS**  trans61.9160.5134.600000121.2L461L461-A463 PolarHBondContact O-N 2.59Å
464P45.7Very low35.3Very low128 Ų128121.3 Ų121.383%0.83180%0.801SS**  cis-127.5164.9-33.634.6-19.4000113.2
465S30.5Very low35.5Very low108 Ų108121.8 Ų121.876%0.75580%0.798SS**  trans-109.9146176.753.60000112.6
466L33.5Very low35.5Very low164 Ų164122 Ų12286%0.85980%0.799SS**  trans-158.8102.1153.8-82.8-166.4000112.9
467T34.4Very low34.5Very low119 Ų119126 Ų12673%0.7381%0.806SS**  14.7166.8126.664.40000122.1
468P51.4Low35.5Very low120 Ų120123.1 Ų123.178%0.77980%0.798SS**  -144.2170.8-50.842.1-25.4000114.2
469V33.2Very low35.7Very low149 Ų149127 Ų12790%0.90380%0.803SS**  trans-160.2158.2152.781.30000112.7
470S36.3Very low35.8Very low124 Ų124125.6 Ų125.687%0.86779%0.791SS**  trans-92.8155.2-171.1-49.50000115.5
471G30.7Very low36.1Very low83 Ų83127.3 Ų127.386%0.85679%0.794SS**  trans-165.8131167.600000112
472S31.5Very low36.3Very low125 Ų125125.5 Ų125.587%0.87479%0.789SS**  trans-95.9149.1-160.553.80000117.2
473G31.1Very low36.7Very low77 Ų77128.9 Ų128.979%0.79480%0.798SS**  trans101.9150.2155.400000116.3
474D33.2Very low36.7Very low134 Ų134127.3 Ų127.372%0.71779%0.791SS**  cis-162.5147.3-11.1-16912.2000110.6
475Q34.8Very low36.3Very low167 Ų167129.1 Ų129.178%0.7879%0.793SS**  trans51162.4170.1-73.816077.800120.3
476S30.6Very low36.4Very low109 Ų109134.4 Ų134.476%0.76280%0.798SS**  cis-157.3142.2-49.6-171.50000110
477F38.2Very low36.5Very low195 Ų195130.7 Ų130.786%0.85579%0.79SS**  trans-80.9-178.9163.7-81-79.1000109.9
478P55Low36.5Very low113 Ų113129.2 Ų129.273%0.73479%0.791SS**  cis-145.1-156.627.745.5-21.4000114.3
479D32.2Very low35.7Very low144 Ų144134.2 Ų134.277%0.7780%0.795SS**  cis-150.8174.50.9-153.37.3000114.6
480V37.1Very low35.9Very low104 Ų104132.3 Ų132.363%0.6379%0.789SS**  trans-72.2148.4174.5167.70000114.1
481Q35.6Very low35.9Very low185 Ų185132.6 Ų132.686%0.86479%0.786SS**  -162.3153.2129-113.5164.3102.100115.6
482V40.7Very low36.9Very low130 Ų130134.8 Ų134.879%0.78879%0.785SS**  trans-129.8122.5-177.9171.10000109.3
483T38.8Very low36.9Very low134 Ų134135.3 Ų135.382%0.82278%0.778SS**  trans-150140.4156.1-46.20000107.6
484G35.7Very low37.1Very low62 Ų62136.9 Ų136.964%0.63978%0.777SS**  trans-110.7-179.4175.500000112.5
485L38.5Very low37.4Very low166 Ų166138.7 Ų138.787%0.86978%0.783SS**  trans173.4133.1148.2-95.2167.5000111.1
486Y32.1Very low37.6Very low218 Ų218135 Ų13586%0.85578%0.781SS**  trans32.9149.6143.9-90.2-100.2000125.4
487A36.3Very low38.7Very low86 Ų86135.5 Ų135.571%0.71178%0.782SS**  trans73.886.7143.700000121.2
488A34Very low38.5Very low89 Ų89130.3 Ų130.374%0.73678%0.775SS**  34.7142.5113.800000123.6
489Y34.6Very low37.6Very low224 Ų224131.9 Ų131.988%0.87878%0.782SS**  trans90.8132.9151.4-83.8-69.2000122.9
490S37.6Very low37.7Very low110 Ų110128.9 Ų128.977%0.76978%0.777SS**  trans88.2132.6147.6-63.10000121.1
491T36.3Very low37.6Very low130 Ų130130.4 Ų130.480%0.79879%0.787SS**PPolyproline II helixtrans-81.1153.9171.647.20000111.9
492P50.7Low37.5Very low129 Ų129127.2 Ų127.284%0.83879%0.785SS**PPolyproline II helixtrans-75.1157.7-176.630.5-36000114.8
493D31.3Very low37.2Very low135 Ų135126.1 Ų126.172%0.72279%0.789SS**PPolyproline II helixtrans-70.4165.5178.5173.758.2000114.4M495D493-M495 PolarHBondContact OD1-N 3.3Å; D493-M495 PolarHBondContact OD2-N 3.2Å
494S37.1Very low37.1Very low111 Ų111128 Ų12878%0.77679%0.789SS**  trans-150.690.3149.4-78.10000113.5
495M38Very low36.9Very low172 Ų172134.7 Ų134.785%0.84780%0.796SS**  trans69.1109.9143.7-68.5-176.8168.500119.9D493D493-M495 PolarHBondContact OD1-N 3.3Å; D493-M495 PolarHBondContact OD2-N 3.2Å
496A38.7Very low36.9Very low89 Ų89134 Ų13474%0.73679%0.793SS**  trans-62.8-177.1150.300000111.5
497P55Low36.8Very low120 Ų120127.4 Ų127.478%0.77979%0.791SS**  cis-144.3174.913.841.5-21.1000117.9
498A34.6Very low37Very low86 Ų86130 Ų13071%0.71180%0.798SS**  157.1152.4103.500000116.5
499V35Very low37.9Very low145 Ų145131.8 Ų131.888%0.87980%0.802SS**  trans76.2144.1161.1-157.30000119.1
500A34.9Very low37.8Very low82 Ų82124.7 Ų124.768%0.67880%0.798SS**  trans-88.8-172.9-17900000111.7
501T33.6Very low37.8Very low136 Ų136127.3 Ų127.383%0.83480%0.803SS**  cis-162.8162.835.6-33.80000112.3
502S33.8Very low38.1Very low118 Ų118130.4 Ų130.483%0.82581%0.805SS**  trans-82.3148.3-178.1-370000115.1
503A34.9Very low38Very low106 Ų106129.9 Ų129.988%0.87680%0.802SS**  trans-169.3166.2144.200000111.7
504Q36.6Very low38.5Very low174 Ų174131 Ų13181%0.81381%0.806SS**  trans-124.1151.4-176.7-55.3163.53.200110.5
505Y31.3Very low38.3Very low203 Ų203130.2 Ų130.280%0.79681%0.806SS**  -173.6155.4125.3-121.3-121.1000115.5
506L37.8Very low38.2Very low151 Ų151129.6 Ų129.679%0.79181%0.806SS**  trans-4.5144.1168.6-90.653.3000122.8
507G30.3Very low37.9Very low79 Ų79136.8 Ų136.881%0.81483%0.83SS**  trans164115.8151.700000115.9
508T41.3Very low37.1Very low140 Ų140137.6 Ų137.686%0.85983%0.833SS**  trans-131.8170.7171.452.70000110.4
509P52.1Low37.2Very low127 Ų127140.3 Ų140.383%0.82584%0.839SS**  cis-125.2163.8-45.736.1-23.1000112.3
510G32.3Very low37.3Very low76 Ų76140.1 Ų140.178%0.78484%0.837SS**  trans178.4141.6170.300000116.2
511N39.1Very low37.5Very low165 Ų165143.5 Ų143.588%0.88285%0.847SS**  trans-66.3140.6-178.8-69.9-16.6000113.6
512K42Very low37.7Very low195 Ų195143.9 Ų143.985%0.84885%0.847SS**  trans-174150.1147.7-101150.3-170.5-177.80110.8
513P47.9Very low38Very low118 Ų118145.7 Ų145.777%0.76685%0.849SS**  -117170129.435.8-33.4000111.5
514I41.5Very low38.2Very low157 Ų157148.5 Ų148.581%0.80585%0.847SS**  trans73.6124.6-178.4-50.2172.4000114.6
515A33.6Very low38.3Very low95 Ų95146.5 Ų146.579%0.78585%0.85SS**  trans-142.2137.6153.500000108.3
516L35Very low38.9Very low159 Ų159141.8 Ų141.883%0.83285%0.854SS**  trans-138.5126.1166-110175.4000105.5
517L33.9Very low39Very low240 Ų240141 Ų141100%1.25786%0.86SS**  trans65.10-163.1-78.668.8000113.8

Retrieved 517 of 517 residues in 166.9 ms (Link to these results)