A0A096MQ18_PAPAN Loading...

Chromosome 8 open reading frame 34

AlphaFold DB , UniProt , Accession A0A096MQ18, Species PAPAN (Papio anubis, Olive baboon), Gene C8orf34, Length 538 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
1M34.2Very low36.8Very low222 Ų222137.4 Ų137.4100%1.09480%0.804SS**  069.60-55.8-67.3101.800106.2
2S33.8Very low36.5Very low109 Ų109138.3 Ų138.376%0.76280%0.801SS**  83.6106.483.3-57.10000112
3S38Very low36.3Very low116 Ų116134.8 Ų134.881%0.81180%0.799SS**  trans-52.2169.1152.7-44.30000110.8
4P54.3Low35.9Very low116 Ų116131.6 Ų131.675%0.75380%0.795SS**  cis-142.3-178.323.241.5-21.3000116.9
5L34.1Very low35.5Very low175 Ų175134.7 Ų134.792%0.91680%0.804SS**  trans-102.4135.3154.5-86.7168.3000109.1
6A35Very low35.5Very low81 Ų81140.9 Ų140.967%0.66981%0.809SS**  trans-132.3143.7171.800000108.7
7S38.3Very low36.2Very low123 Ų123139.9 Ų139.986%0.8681%0.809SS**  trans-148.8118.4169.7-75.80000112.4
8E36.1Very low35.9Very low176 Ų176135.7 Ų135.782%0.82280%0.8SS**  trans-129161.9171.4-71.4-178.87800106
9L36.7Very low35.5Very low129 Ų129138.5 Ų138.568%0.67580%0.802SS**  cis-153.3-153.29.4-137.6169.4000107.7
10S30.3Very low35.4Very low104 Ų104141.5 Ų141.573%0.72780%0.799SS**  trans81.5115.4154.5-51.10000117.2
11E33.9Very low35.2Very low160 Ų160141.2 Ų141.275%0.74880%0.795SS**  cis105150.216.5-158.1-171.6161.800114.8
12L33.9Very low34.9Very low148 Ų148136.2 Ų136.278%0.77578%0.782SS**  trans95.9108169.5-55.5176.7000115.5
13A33.1Very low35Very low94 Ų94135.5 Ų135.578%0.77778%0.782SS**  91146.465.600000112
14A31.5Very low35.4Very low89 Ų89135.9 Ų135.974%0.73678%0.782SS**  cis-166.5167.9-1400000108.2
15L29Very low34.3Very low178 Ų178139.5 Ų139.593%0.93279%0.789SS**  trans178.6145145.8-99.7159.7000114
16R35.5Very low34.1Very low234 Ų234135.9 Ų135.988%0.88378%0.784SS**  trans-145148.3172.2-111.3-171.2176.5-168.51.2108.6
17P47.9Very low33.8Very low125 Ų125143.3 Ų143.381%0.81280%0.795SS**  -141.9-167.882.932.1-11.3000112.7
18G31.1Very low33.4Very low63 Ų63144.2 Ų144.265%0.64980%0.795SS**  cis145.3151.8-1300000114.4
19F28.6Very low33.2Very low190 Ų190140.1 Ų140.183%0.83379%0.791SS**  trans68150.8174.5-65.3-91.2000118.4
20R33.1Very low33.2Very low197 Ų197140 Ų14074%0.74380%0.797SS**  cis-169.9154.1-32.5-123.8-164.2-164.4-133.95.9109.5
21L31.1Very low33Very low136 Ų136146.7 Ų146.771%0.71281%0.807SS**  trans57132.1153.4-59169.3000119.2
22S28.7Very low32.9Very low118 Ų118144 Ų14483%0.82581%0.812SS**  -174.6156.773.7-66.20000112.9
23A34.3Very low32.6Very low93 Ų93141.2 Ų141.277%0.76981%0.811SS**  trans-121.2161.5160.400000109.1
24P46.9Very low32.5Very low125 Ų125143.2 Ų143.281%0.81281%0.813SS**  -144.3169.1129.434.9-18.9000116.2
25H32.2Very low32.6Very low191 Ų191148.4 Ų148.488%0.88482%0.822SS**  trans-53.4162.3168.6-61-81000113
26A28.5Very low32.6Very low99 Ų99143.7 Ų143.782%0.81882%0.816SS**  -174.3173.559.900000115.1
27R30.4Very low32.4Very low238 Ų238144.3 Ų144.390%0.89882%0.819SS**  trans-66158175.1-59.4166.4165.2179-6.9112.4
28V29.2Very low31.5Very low142 Ų142142.1 Ų142.186%0.86182%0.819SS**  -172.6140.6125.3143.20000109.5
29A31.7Very low31.7Very low89 Ų89150.7 Ų150.774%0.73683%0.832SS**  trans-114.4156.3166.800000109.2
30P35.9Very low31.7Very low126 Ų126144.8 Ų144.882%0.81882%0.824SS**  trans-112.5159.4156.630.5-18.6000113.3
31R27.5Very low31.7Very low245 Ų245144.1 Ų144.193%0.92583%0.83SS**  trans-91.6166.1-170.3-66.8159.869.4-169.96112.5
32A29.9Very low31.6Very low103 Ų103141.8 Ų141.885%0.85183%0.831SS**  trans-67.5146165.600000113.8
33A29.6Very low31.8Very low91 Ų91142.3 Ų142.375%0.75283%0.834SS**  trans176.2149160.300000106.8
34T30.4Very low31.6Very low135 Ų135147 Ų14783%0.82884%0.84SS**  cis-162.5169.6-5.213.60000108.7
35H32.7Very low30.9Very low199 Ų199146 Ų14692%0.92184%0.842SS**  trans-54.4148172.5-66-90.3000114.7
36G30Very low30.7Very low79 Ų79140.5 Ų140.581%0.81484%0.837SS**  trans-141.5117161.900000111.1
37R31.1Very low31Very low246 Ų246143.7 Ų143.793%0.92884%0.835SS**  trans-82.2141173.2-78.1-178.3169.8-157.4-1.2110.5
38G29.4Very low31.5Very low80 Ų80138.6 Ų138.683%0.82583%0.832SS**  trans-133.2127.6161.700000110.4
39R34.4Very low31.6Very low242 Ų242142.2 Ų142.291%0.91383%0.831SS**  trans-116.4142-179.4-110.3-173.3170-138.20.7110
40G29.1Very low31.5Very low66 Ų66145.8 Ų145.868%0.6884%0.836SS**  trans178.597.6163.500000108.2
41Q33.3Very low31.2Very low183 Ų183150.7 Ų150.786%0.85584%0.838SS**  50.499.288.2-63.1-152.585.100111.8
42A29Very low31.3Very low88 Ų88144.4 Ų144.473%0.72783%0.832SS**  93.7125.659.700000112.9
43S32.3Very low31.3Very low129 Ų129144.8 Ų144.890%0.90283%0.828SS**  trans-165.3155.2149.5-84.90000111.1
44H31.2Very low31.5Very low192 Ų192146.5 Ų146.589%0.88983%0.834SS**  trans-104.7176.9-163.6-93.4-93.1000114.2
45A30.9Very low31.9Very low103 Ų103146 Ų14685%0.85183%0.832SS**  trans87140.1158.900000117
46G28.8Very low31.9Very low75 Ų75139.7 Ų139.777%0.77382%0.822SS**  cis-167.4163.9-2.800000113.6
47Q33.3Very low32.4Very low167 Ų167142.3 Ų142.378%0.7882%0.824SS**  trans-82.6159167.3-84.2-1609.100110.7
48P41.9Very low32.5Very low131 Ų131135.8 Ų135.885%0.85182%0.816SS**  -139.3171.593.730.8-12.3000116.2
49R31.3Very low33.5Very low218 Ų218137.9 Ų137.982%0.82382%0.816SS**  trans-80.7170.3-174.6-51.3166.7178.4-163.1-3.4113.2
50L30.5Very low33.3Very low163 Ų163129.8 Ų129.885%0.85381%0.807SS**  175.1124.2129.7-89.1168.1000106.3
51R28.1Very low33.6Very low229 Ų229135.1 Ų135.186%0.86481%0.812SS**  cis83.594.842-150.6-165.4-149.2-108.54.3114.8
52S30.2Very low33.6Very low114 Ų114136 Ų13680%0.79781%0.807SS**  trans166.2157.7146.6550000108.1
53S29.2Very low33.7Very low110 Ų110141.8 Ų141.877%0.76981%0.81SS**  cis171.9127.6-21-88.20000104.4
54C33.7Very low33.7Very low128 Ų128141 Ų14187%0.86580%0.799SS**  trans-68.9158.5166.6-52.30000110.3
55P39.5Very low33.9Very low123 Ų123137.9 Ų137.980%0.79979%0.794SS**  -144.9152.4110.737.4-23.7000114.7
56G33.3Very low34.6Very low68 Ų68138.4 Ų138.470%0.70179%0.788SS**  trans-87.7163.3155.100000110.8
57P39.8Very low34.8Very low133 Ų133140.5 Ų140.586%0.86479%0.791SS**  -146.9165.4114.737-21.2000115.8
58S33.3Very low34.6Very low109 Ų109136.5 Ų136.576%0.76280%0.795SS**  trans-90.4-164170.555.40000111.3
59P50.5Low34.1Very low125 Ų125134.3 Ų134.381%0.81280%0.797SS**  -129.8167.4-50.630.8-13.7000114.6
60G31.1Very low34.3Very low71 Ų71128.6 Ų128.673%0.73280%0.796SS**  128149.5128.900000122.9
61K35Very low34.6Very low178 Ų178129.3 Ų129.377%0.77480%0.795SS**  trans90.8119.4141.4-69.1175.4-178.4167.70122.4
62R32.3Very low35.1Very low202 Ų202123.4 Ų123.476%0.76279%0.786SS**  trans76.5150136-64.9175.1-174.1-166.70.8116.1
63R31.2Very low35.4Very low210 Ų210129.8 Ų129.879%0.79279%0.792SS**  cis-162.5170.210.2-158.4-164-78.5-129.94.1111.3
64V32.1Very low35.7Very low111 Ų111130.8 Ų130.867%0.67379%0.794SS**  trans96.8114151.8-171.20000118.3
65V36.3Very low36.1Very low127 Ų127132.2 Ų132.277%0.7779%0.792SS**  trans-111.5147.4143.4174.40000106.1
66P45.3Very low36.1Very low114 Ų114132.1 Ų132.174%0.7479%0.791SS**  -132.6151.9124.137.4-29.1000113.2
67S32.6Very low36.1Very low119 Ų119133.4 Ų133.483%0.83280%0.795SS**  trans-77.4162.1-175.9-420000114
68G29.7Very low35.9Very low83 Ų83135.2 Ų135.286%0.85680%0.797SS**  trans161.2115.7154.700000114.9
69G30.9Very low35.9Very low86 Ų86135.1 Ų135.189%0.88780%0.796SS**  trans131.380.8166.500000115.2
70A36.4Very low35.7Very low97 Ų97137.5 Ų137.580%0.80280%0.797SS**  trans-99.6130.9169.100000110.7
71Q36.8Very low35.9Very low179 Ų179142.9 Ų142.984%0.83680%0.795SS**  trans-145144.7150.4-81.7-6211.600109.1
72P38.1Very low36.2Very low105 Ų105139.2 Ų139.268%0.68279%0.792SS**  trans-83.7131.3-170.732.8-32.7000111.6V74P72-V74 PolarHBondContact O-N 3.33Å
73R35.7Very low36.8Very low247 Ų247137.8 Ų137.893%0.93279%0.787SS**  trans-80.9112.9160.6-79.5-172.5173.7-179.6-1.7108.9L75R73-L75 PolarHBondContact O-N 3.16Å
74V36.5Very low37.5Very low131 Ų131135.2 Ų135.279%0.79479%0.788SS**PPolyproline II helixtrans-50.9128.9169.6174.30000109.5P72 P76P72-V74 PolarHBondContact O-N 3.33Å; V74-P76 WeakPolarHBondContact O-CD 3.37Å
75L41.5Very low38.3Very low158 Ų158135.3 Ų135.383%0.82779%0.785SS**PPolyproline II helixtrans-68.7124.2169.1-65.4168.8000108.7R73 A77R73-L75 PolarHBondContact O-N 3.16Å; L75-A77 PolarHBondContact O-N 3.4Å
76P40.6Very low39.2Very low121 Ų121133.3 Ų133.379%0.78677%0.774SS**PPolyproline II helixtrans-63.7128.7158.4-11.927.9000107.4V74V74-P76 WeakPolarHBondContact O-CD 3.37Å
77A32.6Very low39.4Very low95 Ų95135.7 Ų135.779%0.78578%0.777SS**PPolyproline II helixtrans-55.7144.3178.800000110.9L75 S79L75-A77 PolarHBondContact O-N 3.4Å; A77-S79 PolarHBondContact O-N 3.45Å
78L35.9Very low40.5Very low171 Ų171133.6 Ų133.690%0.89577%0.767SS**  trans-62.789.5167.5-69.9168.3000108.5Q80L78-Q80 PolarHBondContact O-N 3.42Å
79S32.9Very low41.8Very low108 Ų108131.4 Ų131.476%0.75574%0.739SS**  trans-58.6109.7158.2-179.20000105.8A77 R81A77-S79 PolarHBondContact O-N 3.45Å; S79-R81 PolarHBondContact O-N 3.19Å
80Q45.4Very low43.3Very low175 Ų175135.3 Ų135.382%0.81873%0.734SS**  trans-65.681.9169-71-178.7200107.1L78 S82L78-Q80 PolarHBondContact O-N 3.42Å; Q80-S82 PolarHBondContact O-N 3.19Å
81R36.1Very low44.7Very low184 Ų184134.4 Ų134.469%0.69472%0.72SS**  trans-67.198.2164.7-150.1176.1-166.5178.63.4104.4S79 Y83S79-R81 PolarHBondContact O-N 3.19Å; R81-Y83 HydrophobicContact CB-CD2 4.45Å; R81-Y83 HydrophobicContact CB-CE2 4.05Å; R81-Y83 WeakPolarHBondContact O-CD2 3.29Å; R81-Y83 PolarHBondContact O-N 3.19Å
82S41.6Very low46.5Very low101 Ų101132.3 Ų132.371%0.70671%0.71SS**  trans-6087.8174.6-58.90000108.1Q80 L84Q80-S82 PolarHBondContact O-N 3.19Å; S82-L84 PolarHBondContact O-N 3.37Å
83Y43.9Very low48.9Very low172 Ų172131.4 Ų131.468%0.67570%0.703SS**  trans-69.771162.6-66.2-77.9000107.2R81 L85R81-Y83 HydrophobicContact CB-CD2 4.45Å; R81-Y83 HydrophobicContact CB-CE2 4.05Å; R81-Y83 WeakPolarHBondContact O-CD2 3.29Å; R81-Y83 PolarHBondContact O-N 3.19Å; Y83-L85 PolarHBondContact O-N 3.42Å
84L46.8Very low51.4Low155 Ų155129.3 Ų129.381%0.81270%0.695SS**  trans-65.869.9148.4-66.5179.9000106.7S82 P86S82-L84 PolarHBondContact O-N 3.37Å; L84-P86 WeakPolarHBondContact O-CD 3.39Å
85L49.3Very low54Low113 Ų113127.9 Ų127.959%0.59268%0.681SS**  trans-57.8117.9152.5-78.3159.9000105.2Y83 M87Y83-L85 PolarHBondContact O-N 3.42Å; L85-M87 HydrophobicContact CB-CE 3.92Å; L85-M87 HydrophobicContact CB-CG 4.48Å; L85-M87 HydrophobicContact CD2-CE 4.49Å; L85-M87 PolarHBondContact O-N 3.03Å
86P54Low56.3Low86 Ų86125 Ų12556%0.55866%0.664SS**  trans-6990.9170.9-1430.8000107.1L84 A88 S89L84-P86 WeakPolarHBondContact O-CD 3.39Å; P86-A88 PolarHBondContact O-N 3.25Å; P86-S89 PolarHBondContact O-N 2.86Å; P86-S89 PolarHBondContact O-OG 3.31Å
87M50.6Low58.6Low163 Ų163121.6 Ų121.680%0.80365%0.646SS**THydrogen-bonded Turntrans-71.941.7168.6-71.4-70.2108.900110.7L85L85-M87 HydrophobicContact CB-CE 3.92Å; L85-M87 HydrophobicContact CB-CG 4.48Å; L85-M87 HydrophobicContact CD2-CE 4.49Å; L85-M87 PolarHBondContact O-N 3.03Å
88A56.3Low61.5Low75 Ų75123.7 Ų123.762%0.6263%0.634SS**THydrogen-bonded Turntrans-141.3-4-17400000112P86P86-A88 PolarHBondContact O-N 3.25Å
89S56.5Low64.2Low37 Ų37118.4 Ų118.426%0.25961%0.607SS.*  trans-109.8-3.2-163.9650000117.3P86 Q92 T93P86-S89 PolarHBondContact O-N 2.86Å; P86-S89 PolarHBondContact O-OG 3.31Å; S89-Q92 PolarHBondContact O-N 3.15Å; S89-T93 WeakPolarHBondContact O-CB 3.14Å; S89-T93 PolarHBondContact O-N 3.14Å; S89-T93 PolarHBondContact O-OG1 3.07Å
90H60.9Low66.9Low168 Ų168119.1 Ų119.178%0.77860%0.598SS**Hα-helixtrans-51.5-45.7174.9-95.281000113.9R94H90-R94 VanDerWaalsContact O-CB 3.29Å; H90-R94 WeakPolarHBondContact O-CB 3.46Å; H90-R94 PolarHBondContact O-N 3.32Å
91P66.4Low69Low79 Ų79119.4 Ų119.451%0.51360%0.597SS.*Hα-helixtrans-69.4-41.3172.125.8-32.6000112.8T93 R94 I95P91-T93 PolarHBondContact O-N 2.83Å; P91-R94 PolarHBondContact O-N 3.44Å; P91-I95 VanDerWaalsContact O-CG1 3.3Å; P91-I95 WeakPolarHBondContact O-CG1 3.44Å; P91-I95 PolarHBondContact O-N 3Å
92Q75.8Confident71.6Confident135 Ų135114 Ų11463%0.63158%0.582SS**Hα-helixtrans-58.6-49178.6-130915.500112.1S89 R94 I95 Q96S89-Q92 PolarHBondContact O-N 3.15Å; Q92-R94 VanDerWaalsContact C-N 3.33Å; Q92-R94 PolarHBondContact O-N 3.46Å; Q92-I95 PolarHBondContact O-N 2.88Å; Q92-Q96 WeakPolarHBondContact O-CB 3.25Å; Q92-Q96 PolarHBondContact O-N 3.29Å
93T86.9Confident74Confident85 Ų85116 Ų11652%0.52158%0.578SS.*Hα-helixtrans-66.5-35.3178.8-53.80000111.3S89 P91 A97S89-T93 WeakPolarHBondContact O-CB 3.14Å; S89-T93 PolarHBondContact O-N 3.14Å; S89-T93 PolarHBondContact O-OG1 3.07Å; P91-T93 PolarHBondContact O-N 2.83Å; T93-A97 VanDerWaalsContact O-CB 3.25Å; T93-A97 WeakPolarHBondContact O-CB 3.22Å; T93-A97 PolarHBondContact O-N 3.42Å
94R89.9Confident76.2Confident204 Ų204110.7 Ų110.777%0.7756%0.561SS**Hα-helixtrans-65.8-40.5172.9-179.5-179.7174-169.2-1.4112.3H90 P91 Q92 Y98H90-R94 VanDerWaalsContact O-CB 3.29Å; H90-R94 WeakPolarHBondContact O-CB 3.46Å; H90-R94 PolarHBondContact O-N 3.32Å; P91-R94 PolarHBondContact O-N 3.44Å; Q92-R94 VanDerWaalsContact C-N 3.33Å; Q92-R94 PolarHBondContact O-N 3.46Å; R94-Y98 WeakPolarHBondContact O-CB 3.34Å; R94-Y98 PolarHBondContact O-N 3.37Å; R94-Y98 VanDerWaalsContact O-N 3.07Å
95I90.1Very high78.3Confident100 Ų100105.3 Ų105.351%0.51354%0.542SS..Hα-helixtrans-65.6-49.1175.2-68.6162.7000109.7P91 Q92 A97 Y98 L99P91-I95 VanDerWaalsContact O-CG1 3.3Å; P91-I95 WeakPolarHBondContact O-CG1 3.44Å; P91-I95 PolarHBondContact O-N 3Å; Q92-I95 PolarHBondContact O-N 2.88Å; I95-A97 PolarHBondContact O-N 3.24Å; I95-Y98 WeakPolarHBondContact O-CB 3.49Å; I95-Y98 PolarHBondContact O-N 3.26Å; I95-Y98 VanDerWaalsContact O-N 3.08Å; I95-L99 HydrophobicContact CG2-CD1 3.96Å; I95-L99 HydrophobicContact CG2-CG 4.32Å; I95-L99 WeakPolarHBondContact O-CG 3.32Å; I95-L99 PolarHBondContact O-N 3.06Å
96Q89Confident80.4Confident97 Ų97103.8 Ų103.845%0.45354%0.539SS..Hα-helixtrans-58.2-49.2178.8-17461.921.100111.9Q92 Y98 L99 E100Q92-Q96 WeakPolarHBondContact O-CB 3.25Å; Q92-Q96 PolarHBondContact O-N 3.29Å; Q96-Y98 PolarHBondContact O-N 2.89Å; Q96-L99 PolarHBondContact O-N 2.86Å; Q96-L99 VanDerWaalsContact O-N 3.14Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.06Å; Q96-E100 PolarHBondContact NE2-OE1 3.08Å; Q96-E100 WeakPolarHBondContact O-CG 3.41Å; Q96-E100 PolarHBondContact O-N 2.91Å
97A89.4Confident82.2Confident50 Ų50103 Ų10341%0.41353%0.53SS..Hα-helixtrans-61.6-31.7176.400000112.8T93 I95 K101T93-A97 VanDerWaalsContact O-CB 3.25Å; T93-A97 WeakPolarHBondContact O-CB 3.22Å; T93-A97 PolarHBondContact O-N 3.42Å; I95-A97 PolarHBondContact O-N 3.24Å; A97-K101 WeakPolarHBondContact O-CB 3.41Å; A97-K101 PolarHBondContact O-N 3.48Å
98Y92.8Very high84.3Confident139 Ų139101.5 Ų101.555%0.54552%0.519SS..Hα-helixtrans-71.1-42.5173.6178.8-91.8000112.3R94 I95 Q96 N102 I104R94-Y98 WeakPolarHBondContact O-CB 3.34Å; R94-Y98 PolarHBondContact O-N 3.37Å; R94-Y98 VanDerWaalsContact O-N 3.07Å; I95-Y98 WeakPolarHBondContact O-CB 3.49Å; I95-Y98 PolarHBondContact O-N 3.26Å; I95-Y98 VanDerWaalsContact O-N 3.08Å; Q96-Y98 PolarHBondContact O-N 2.89Å; Y98-N102 VanDerWaalsContact CD2-ND2 3.33Å; Y98-N102 WeakPolarHBondContact CD2-ND2 3.19Å; Y98-N102 WeakPolarHBondContact CE2-ND2 3.48Å; Y98-N102 WeakPolarHBondContact O-CB 3.43Å; Y98-N102 PolarHBondContact O-N 3.46Å; Y98-N102 VanDerWaalsContact O-N 3.1Å; Y98-N102 PolarHBondContact O-ND2 3.38Å; Y98-I104 HydrophobicContact CD1-CD1 4Å; Y98-I104 HydrophobicContact CE1-CD1 3.56Å
99L92.9Very high86.1Confident60 Ų60104.1 Ų104.131%0.31452%0.519SS..Hα-helixtrans-62.8-43.6176.7-67.6172.3000111.4I95 Q96 K103 I104I95-L99 HydrophobicContact CG2-CD1 3.96Å; I95-L99 HydrophobicContact CG2-CG 4.32Å; I95-L99 WeakPolarHBondContact O-CG 3.32Å; I95-L99 PolarHBondContact O-N 3.06Å; Q96-L99 PolarHBondContact O-N 2.86Å; Q96-L99 VanDerWaalsContact O-N 3.14Å; L99-K103 CarbonylContact O-C 3.57Å; L99-K103 WeakPolarHBondContact O-CA 3.3Å; L99-K103 PolarHBondContact O-N 3.03Å; L99-I104 HydrophobicContact CD2-CB 3.8Å; L99-I104 HydrophobicContact CD2-CD1 3.96Å; L99-I104 HydrophobicContact CD2-CG1 4.47Å; L99-I104 HydrophobicContact CD2-CG2 3.69Å; L99-I104 PolarHBondContact O-N 2.9Å
100E90.9Very high87.9Confident123 Ų123105.1 Ų105.158%0.57552%0.519SS*.Hα-helixtrans-66.4-49.2176.5-71.8171.3-170.600112Q96 N102 K103Q96-E100 WeakPolarHBondContact CG-OE1 3.06Å; Q96-E100 PolarHBondContact NE2-OE1 3.08Å; Q96-E100 WeakPolarHBondContact O-CG 3.41Å; Q96-E100 PolarHBondContact O-N 2.91Å; E100-N102 VanDerWaalsContact C-N 3.28Å; E100-N102 PolarHBondContact O-N 2.97Å; E100-K103 PolarHBondContact O-N 2.87Å
101K89.9Confident89.5Confident181 Ų18198.5 Ų98.579%0.78749%0.489SS*.Hα-helixtrans-59.3-36.6-179.8-178.8173.2-178.11730113A97A97-K101 WeakPolarHBondContact O-CB 3.41Å; A97-K101 PolarHBondContact O-N 3.48Å
102N89.3Confident90.8Very high71 Ų7198.2 Ų98.238%0.3848%0.482SS..THydrogen-bonded Turntrans-94.12178.1-64.9-78.5000113.2Y98 E100 I104Y98-N102 VanDerWaalsContact CD2-ND2 3.33Å; Y98-N102 WeakPolarHBondContact CD2-ND2 3.19Å; Y98-N102 WeakPolarHBondContact CE2-ND2 3.48Å; Y98-N102 WeakPolarHBondContact O-CB 3.43Å; Y98-N102 PolarHBondContact O-N 3.46Å; Y98-N102 VanDerWaalsContact O-N 3.1Å; Y98-N102 PolarHBondContact O-ND2 3.38Å; E100-N102 VanDerWaalsContact C-N 3.28Å; E100-N102 PolarHBondContact O-N 2.97Å; N102-I104 HydrophobicContact CB-CD1 3.74Å; N102-I104 HydrophobicContact CB-CG1 3.74Å; N102-I104 PolarHBondContact O-N 3.19Å
103K91.8Very high91.7Very high142 Ų14295.3 Ų95.362%0.61747%0.474SS*.THydrogen-bonded Turntrans51.635.2-176.1-55.6-171.5176.9-169.50113.9L99 E100 G105 P106 L107L99-K103 CarbonylContact O-C 3.57Å; L99-K103 WeakPolarHBondContact O-CA 3.3Å; L99-K103 PolarHBondContact O-N 3.03Å; E100-K103 PolarHBondContact O-N 2.87Å; K103-G105 VanDerWaalsContact C-N 3.29Å; K103-G105 PolarHBondContact O-N 3.15Å; K103-P106 WeakPolarHBondContact O-CD 3.46Å; K103-L107 WeakPolarHBondContact O-CB 3.3Å; K103-L107 VanDerWaalsContact O-CG 3.28Å; K103-L107 WeakPolarHBondContact O-CG 3.43Å; K103-L107 PolarHBondContact O-N 3.41Å
104I90.3Very high91.9Very high62 Ų6293.8 Ų93.832%0.31846%0.46SS..Hα-helixtrans-64.7-34.9-174.4-68.9165.8000111.2Y98 L99 N102 F108Y98-I104 HydrophobicContact CD1-CD1 4Å; Y98-I104 HydrophobicContact CE1-CD1 3.56Å; L99-I104 HydrophobicContact CD2-CB 3.8Å; L99-I104 HydrophobicContact CD2-CD1 3.96Å; L99-I104 HydrophobicContact CD2-CG1 4.47Å; L99-I104 HydrophobicContact CD2-CG2 3.69Å; L99-I104 PolarHBondContact O-N 2.9Å; N102-I104 HydrophobicContact CB-CD1 3.74Å; N102-I104 HydrophobicContact CB-CG1 3.74Å; N102-I104 PolarHBondContact O-N 3.19Å; I104-F108 VanDerWaalsContact O-CB 3.31Å; I104-F108 WeakPolarHBondContact O-CB 3.36Å; I104-F108 PolarHBondContact O-N 3.06Å
105G92Very high92.1Very high41 Ų4186.1 Ų86.142%0.42343%0.434SS..Hα-helixtrans-59.1-62173.400000112.9K103 L107 F108 E109K103-G105 VanDerWaalsContact C-N 3.29Å; K103-G105 PolarHBondContact O-N 3.15Å; G105-L107 VanDerWaalsContact C-N 3.27Å; G105-L107 PolarHBondContact O-N 3.41Å; G105-F108 WeakPolarHBondContact O-CB 3.33Å; G105-F108 PolarHBondContact O-N 2.71Å; G105-E109 PolarHBondContact O-N 2.94Å
106P92.9Very high92.3Very high81 Ų8187.2 Ų87.253%0.52644%0.439SS..Hα-helixtrans-57.7-33.9176.2-28.935.7000114.5K103 E110K103-P106 WeakPolarHBondContact O-CD 3.46Å; P106-E110 WeakPolarHBondContact O-CB 3.44Å; P106-E110 PolarHBondContact O-N 3.3Å
107L92.3Very high92.5Very high71 Ų7187.1 Ų87.137%0.37245%0.445SS..Hα-helixtrans-66.4-44.2173.6-73.2170.4000111.6K103 G105 E110 L111K103-L107 WeakPolarHBondContact O-CB 3.3Å; K103-L107 VanDerWaalsContact O-CG 3.28Å; K103-L107 WeakPolarHBondContact O-CG 3.43Å; K103-L107 PolarHBondContact O-N 3.41Å; G105-L107 VanDerWaalsContact C-N 3.27Å; G105-L107 PolarHBondContact O-N 3.41Å; L107-E110 PolarHBondContact O-N 3.02Å; L107-L111 WeakPolarHBondContact O-CB 3.43Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 3.03Å
108F93.6Very high92.5Very high130 Ų13089.2 Ų89.257%0.5745%0.447SS*.Hα-helixtrans-63-43.5176.3178.5-100.1000111.8I104 G105 E110 L111 M112I104-F108 VanDerWaalsContact O-CB 3.31Å; I104-F108 WeakPolarHBondContact O-CB 3.36Å; I104-F108 PolarHBondContact O-N 3.06Å; G105-F108 WeakPolarHBondContact O-CB 3.33Å; G105-F108 PolarHBondContact O-N 2.71Å; F108-E110 VanDerWaalsContact C-N 3.31Å; F108-E110 PolarHBondContact O-N 2.84Å; F108-L111 PolarHBondContact O-N 3.45Å; F108-M112 HydrophobicContact CD1-CG 3.99Å; F108-M112 HydrophobicContact CD2-CG 4.12Å; F108-M112 HydrophobicContact CE1-CG 3.55Å; F108-M112 HydrophobicContact CE1-SD 4.46Å; F108-M112 HydrophobicContact CE2-CG 3.69Å; F108-M112 HydrophobicContact CE2-SD 3.87Å; F108-M112 HydrophobicContact CG-CG 4.26Å; F108-M112 HydrophobicContact CZ-CG 3.39Å; F108-M112 HydrophobicContact CZ-SD 3.73Å; F108-M112 WeakPolarHBondContact O-CB 3.36Å; F108-M112 VanDerWaalsContact O-CG 3.29Å; F108-M112 WeakPolarHBondContact O-CG 3.29Å; F108-M112 PolarHBondContact O-N 2.96Å
109E94.4Very high92.4Very high131 Ų13187.7 Ų87.761%0.61245%0.452SS*.Hα-helixtrans-58-42.7174.5-173.6177-169.600111.5G105 T113G105-E109 PolarHBondContact O-N 2.94Å; E109-T113 VanDerWaalsContact O-CB 3.3Å; E109-T113 WeakPolarHBondContact O-CB 3.37Å; E109-T113 PolarHBondContact O-N 2.95Å; E109-T113 PolarHBondContact O-OG1 2.9Å
110E93.8Very high92.2Very high57 Ų5786.3 Ų86.327%0.26645%0.447SS..Hα-helixtrans-64.8-46.4175.3-168.1-168.5130.800112.4P106 L107 F108 T113 K114 H130 K134P106-E110 WeakPolarHBondContact O-CB 3.44Å; P106-E110 PolarHBondContact O-N 3.3Å; L107-E110 PolarHBondContact O-N 3.02Å; F108-E110 VanDerWaalsContact C-N 3.31Å; F108-E110 PolarHBondContact O-N 2.84Å; E110-T113 PolarHBondContact O-N 3.11Å; E110-K114 VanDerWaalsContact O-CB 3.3Å; E110-K114 WeakPolarHBondContact O-CB 3.47Å; E110-K114 WeakPolarHBondContact O-CG 3.42Å; E110-K114 PolarHBondContact O-N 2.9Å; E110-H130 IonicContact OE1-CD2 3.93Å; E110-H130 IonicContact OE1-CE1 3.38Å; E110-H130 PolarHBondContact OE1-CE1 3.19Å; E110-H130 IonicContact OE1-NE2 2.73Å; E110-H130 PolarHBondContact OE1-NE2 3.16Å; E110-K134 WeakPolarHBondContact OE1-CE 3.27Å; E110-K134 IonicContact OE1-NZ 2.77Å; E110-K134 PolarHBondContact OE1-NZ 3.45Å; E110-K134 IonicContact OE2-NZ 2.69Å; E110-K134 PolarHBondContact OE2-NZ 3.38Å
111L94.1Very high92.1Very high30 Ų3088.5 Ų88.516%0.15746%0.463CS..Hα-helixtrans-63.5-42.8179.4-67.5167.3000111.9L107 F108 K114 L115 L127 L131L107-L111 WeakPolarHBondContact O-CB 3.43Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 3.03Å; F108-L111 PolarHBondContact O-N 3.45Å; L111-K114 WeakPolarHBondContact O-CB 3.27Å; L111-K114 PolarHBondContact O-N 3.01Å; L111-L115 PolarHBondContact O-N 3Å; L111-L127 HydrophobicContact CB-CD2 3.79Å; L111-L127 HydrophobicContact CD2-CD2 3.57Å; L111-L127 HydrophobicContact CG-CD2 4.21Å; L111-L131 HydrophobicContact CD1-CD1 4.37Å; L111-L131 HydrophobicContact CD1-CD2 4.18Å; L111-L131 HydrophobicContact CD2-CD1 4.25Å; L111-L131 HydrophobicContact CD2-CD2 3.86Å; L111-L131 HydrophobicContact CD2-CG 3.74Å
112M95Very high92.2Very high72 Ų7286.3 Ų86.336%0.35546%0.455SS..Hα-helixtrans-66.6-45.1175.9-72.2-57.5-58.400111.5F108 K114 L115 I116F108-M112 HydrophobicContact CD1-CG 3.99Å; F108-M112 HydrophobicContact CD2-CG 4.12Å; F108-M112 HydrophobicContact CE1-CG 3.55Å; F108-M112 HydrophobicContact CE1-SD 4.46Å; F108-M112 HydrophobicContact CE2-CG 3.69Å; F108-M112 HydrophobicContact CE2-SD 3.87Å; F108-M112 HydrophobicContact CG-CG 4.26Å; F108-M112 HydrophobicContact CZ-CG 3.39Å; F108-M112 HydrophobicContact CZ-SD 3.73Å; F108-M112 WeakPolarHBondContact O-CB 3.36Å; F108-M112 VanDerWaalsContact O-CG 3.29Å; F108-M112 WeakPolarHBondContact O-CG 3.29Å; F108-M112 PolarHBondContact O-N 2.96Å; M112-K114 VanDerWaalsContact C-N 3.25Å; M112-K114 PolarHBondContact O-N 3.24Å; M112-L115 PolarHBondContact O-N 3.32Å; M112-L115 HydrophobicContact SD-CD1 4.39Å; M112-I116 WeakPolarHBondContact O-CD1 3.48Å; M112-I116 VanDerWaalsContact O-CG1 3.3Å; M112-I116 WeakPolarHBondContact O-CG1 3.37Å; M112-I116 PolarHBondContact O-N 2.83Å
113T94.9Very high92.2Very high75 Ų7585.7 Ų85.746%0.4646%0.455SS..Hα-helixtrans-53.3-48.6173.1-57.40000110E109 E110 I116 T117E109-T113 VanDerWaalsContact O-CB 3.3Å; E109-T113 WeakPolarHBondContact O-CB 3.37Å; E109-T113 PolarHBondContact O-N 2.95Å; E109-T113 PolarHBondContact O-OG1 2.9Å; E110-T113 PolarHBondContact O-N 3.11Å; T113-I116 PolarHBondContact O-N 3.27Å; T113-I116 VanDerWaalsContact O-N 3.17Å; T113-T117 HydrophobicContact CG2-CG2 4.17Å; T113-T117 WeakPolarHBondContact O-CG2 3.5Å; T113-T117 PolarHBondContact O-N 3.35Å; T113-T117 PolarHBondContact O-OG1 3.08Å; T113-T117 VanDerWaalsContact O-OG1 3.07Å
114K90.4Very high92.3Very high53 Ų5384.9 Ų84.923%0.2346%0.456CS..Hα-helixtrans-59.8-44.5178.4-87.1-118.6164.5-169.30114.3E110 L111 M112 I116 T117 E118 F126 H130E110-K114 VanDerWaalsContact O-CB 3.3Å; E110-K114 WeakPolarHBondContact O-CB 3.47Å; E110-K114 WeakPolarHBondContact O-CG 3.42Å; E110-K114 PolarHBondContact O-N 2.9Å; L111-K114 WeakPolarHBondContact O-CB 3.27Å; L111-K114 PolarHBondContact O-N 3.01Å; M112-K114 VanDerWaalsContact C-N 3.25Å; M112-K114 PolarHBondContact O-N 3.24Å; K114-I116 VanDerWaalsContact C-N 3.3Å; K114-I116 PolarHBondContact O-N 3.1Å; K114-T117 PolarHBondContact O-N 3.36Å; K114-T117 PolarHBondContact O-OG1 3.23Å; K114-E118 VanDerWaalsContact CD-OE1 3.25Å; K114-E118 WeakPolarHBondContact CD-OE1 3.26Å; K114-E118 WeakPolarHBondContact CE-OE1 3.45Å; K114-E118 IonicContact NZ-OE1 2.68Å; K114-E118 PolarHBondContact NZ-OE1 2.84Å; K114-E118 WeakPolarHBondContact O-CB 3.36Å; K114-E118 PolarHBondContact O-N 3.16Å; K114-F126 HydrophobicContact CB-CE1 4.11Å; K114-F126 HydrophobicContact CB-CZ 4.42Å; K114-F126 HydrophobicContact CD-CE1 4.32Å; K114-F126 HydrophobicContact CD-CZ 3.95Å; K114-H130 WeakPolarHBondContact CE-CE1 3.39Å; K114-H130 VanDerWaalsContact CE-ND1 3.35Å; K114-H130 WeakPolarHBondContact CE-ND1 2.99Å; K114-H130 PolarHBondContact NZ-ND1 3.08Å; K114-H130 VanDerWaalsContact NZ-ND1 3.18Å
115L95.1Very high92.4Very high43 Ų4385.1 Ų85.123%0.22546%0.461CS..Hα-helixtrans-59.9-41.4173.7-77.5-174.1000112.2L111 M112 T119 P120 P123 F126 L127L111-L115 PolarHBondContact O-N 3Å; M112-L115 PolarHBondContact O-N 3.32Å; M112-L115 HydrophobicContact SD-CD1 4.39Å; L115-T119 WeakPolarHBondContact O-CA 3.35Å; L115-T119 PolarHBondContact O-N 3.33Å; L115-T119 VanDerWaalsContact O-N 3.16Å; L115-P120 HydrophobicContact CD2-CG 4.01Å; L115-P123 HydrophobicContact CD2-CB 3.44Å; L115-P123 VanDerWaalsContact CD2-CB 3.44Å; L115-F126 HydrophobicContact CD2-CD1 4.14Å; L115-L127 HydrophobicContact CD1-CD1 3.9Å; L115-L127 HydrophobicContact CD2-CD1 4.06Å; L115-L127 HydrophobicContact CD2-CD2 4.1Å; L115-L127 HydrophobicContact CD2-CG 3.84Å; L115-L127 HydrophobicContact CG-CD1 4.08Å; L115-L127 HydrophobicContact CG-CD2 4.01Å; L115-L127 HydrophobicContact CG-CG 4.14Å
116I93.2Very high92.5Very high122 Ų12285.1 Ų85.163%0.62645%0.45SS*.Hα-helixtrans-74-35.2-177.8-65.8163000111.4M112 T113 K114 T119M112-I116 WeakPolarHBondContact O-CD1 3.48Å; M112-I116 VanDerWaalsContact O-CG1 3.3Å; M112-I116 WeakPolarHBondContact O-CG1 3.37Å; M112-I116 PolarHBondContact O-N 2.83Å; T113-I116 PolarHBondContact O-N 3.27Å; T113-I116 VanDerWaalsContact O-N 3.17Å; K114-I116 VanDerWaalsContact C-N 3.3Å; K114-I116 PolarHBondContact O-N 3.1Å; I116-T119 WeakPolarHBondContact O-CG2 3.49Å
117T92.5Very high92.5Very high95 Ų9583 Ų8358%0.58343%0.434SS*.Hα-helixtrans-85.9-36.1-177.7560000114.4T113 K114T113-T117 HydrophobicContact CG2-CG2 4.17Å; T113-T117 WeakPolarHBondContact O-CG2 3.5Å; T113-T117 PolarHBondContact O-N 3.35Å; T113-T117 PolarHBondContact O-OG1 3.08Å; T113-T117 VanDerWaalsContact O-OG1 3.07Å; K114-T117 PolarHBondContact O-N 3.36Å; K114-T117 PolarHBondContact O-OG1 3.23Å
118E89.6Confident92.4Very high95 Ų9583.7 Ų83.744%0.44444%0.437SS..Hα-helixtrans-96.9-8.5-176.8-61.3-171.9-133.100112.5K114 P120 F126K114-E118 VanDerWaalsContact CD-OE1 3.25Å; K114-E118 WeakPolarHBondContact CD-OE1 3.26Å; K114-E118 WeakPolarHBondContact CE-OE1 3.45Å; K114-E118 IonicContact NZ-OE1 2.68Å; K114-E118 PolarHBondContact NZ-OE1 2.84Å; K114-E118 WeakPolarHBondContact O-CB 3.36Å; K114-E118 PolarHBondContact O-N 3.16Å; E118-P120 VanDerWaalsContact C-CD 3.45Å; E118-P120 VanDerWaalsContact C-N 3.34Å; E118-P120 VanDerWaalsContact O-N 3.11Å; E118-F126 HydrophobicContact CB-CE2 4.18Å; E118-F126 HydrophobicContact CB-CZ 3.78Å; E118-F126 VanDerWaalsContact CD-CZ 3.46Å; E118-F126 HydrophobicContact CG-CZ 4.08Å; E118-F126 VanDerWaalsContact OE2-CE2 3.25Å; E118-F126 WeakPolarHBondContact OE2-CE2 3.42Å; E118-F126 WeakPolarHBondContact OE2-CZ 3.39Å
119T91.2Very high92.3Very high106 Ų10682.6 Ų82.665%0.6544%0.437SS*.  trans33.256.717760.10000114.4L115 I116L115-T119 WeakPolarHBondContact O-CA 3.35Å; L115-T119 PolarHBondContact O-N 3.33Å; L115-T119 VanDerWaalsContact O-N 3.16Å; I116-T119 WeakPolarHBondContact O-CG2 3.49Å
120P89.3Confident92.1Very high32 Ų3277 Ų7721%0.20841%0.411CS..  trans-72.4137-172.730.7-38000112L115 E118 Q122 P123 F126L115-P120 HydrophobicContact CD2-CG 4.01Å; E118-P120 VanDerWaalsContact C-CD 3.45Å; E118-P120 VanDerWaalsContact C-N 3.34Å; E118-P120 VanDerWaalsContact O-N 3.11Å; P120-Q122 PolarHBondContact O-N 3.39Å; P120-P123 HydrophobicContact CG-CB 4.32Å; P120-F126 HydrophobicContact CB-CB 3.92Å; P120-F126 HydrophobicContact CB-CD1 4.33Å; P120-F126 HydrophobicContact CB-CD2 4.23Å; P120-F126 HydrophobicContact CB-CG 3.9Å; P120-F126 HydrophobicContact CG-CB 3.96Å; P120-F126 HydrophobicContact CG-CD1 3.68Å; P120-F126 HydrophobicContact CG-CD2 4.43Å; P120-F126 HydrophobicContact CG-CE1 4.24Å; P120-F126 HydrophobicContact CG-CG 3.76Å
121D88.1Confident92Very high169 Ų16977.5 Ų77.590%0.90442%0.415SS*.SBendtrans-54.4-28.3173.6-57.3-41000112.9
122Q91.9Very high91.6Very high135 Ų13581.7 Ų81.763%0.63143%0.434SS*.SBendtrans-126.389.1176.6-63.1-166.3-500110.5P120 I124 P125 F126P120-Q122 PolarHBondContact O-N 3.39Å; Q122-I124 PolarHBondContact O-N 3.31Å; Q122-P125 HydrophobicContact CB-CG 4.02Å; Q122-P125 WeakPolarHBondContact O-CD 3.24Å; Q122-F126 WeakPolarHBondContact O-CB 3.41Å; Q122-F126 PolarHBondContact O-N 3.4Å
123P90.2Very high91.2Very high58 Ų5881.7 Ų81.738%0.37744%0.441SS..Hα-helixtrans-67.1-33.9-173.125-34.7000113.5L115 P120 L127L115-P123 HydrophobicContact CD2-CB 3.44Å; L115-P123 VanDerWaalsContact CD2-CB 3.44Å; P120-P123 HydrophobicContact CG-CB 4.32Å; P123-L127 WeakPolarHBondContact O-CB 3.39Å; P123-L127 VanDerWaalsContact O-CG 3.27Å; P123-L127 WeakPolarHBondContact O-CG 3.41Å; P123-L127 PolarHBondContact O-N 2.99Å
124I92.6Very high90.4Very high124 Ų12484 Ų8464%0.63645%0.445SS*.Hα-helixtrans-70-52.9-177.1-63.1169.8000111.8Q122 F126 L127 I128Q122-I124 PolarHBondContact O-N 3.31Å; I124-F126 VanDerWaalsContact C-N 3.31Å; I124-F126 PolarHBondContact O-N 3.35Å; I124-L127 PolarHBondContact O-N 2.99Å; I124-I128 HydrophobicContact CG2-CD1 3.91Å; I124-I128 VanDerWaalsContact O-CG1 3.29Å; I124-I128 WeakPolarHBondContact O-CG1 3.25Å; I124-I128 PolarHBondContact O-N 2.93Å; I124-I128 VanDerWaalsContact O-N 3.08Å
125P94.1Very high89.3Confident67 Ų6785.2 Ų85.244%0.43545%0.451SS..Hα-helixtrans-57.2-41.6173.7-26.936.1000113.4Q122 I128 D129Q122-P125 HydrophobicContact CB-CG 4.02Å; Q122-P125 WeakPolarHBondContact O-CD 3.24Å; P125-I128 WeakPolarHBondContact O-CB 3.35Å; P125-I128 PolarHBondContact O-N 3.22Å; P125-D129 PolarHBondContact O-N 3.03Å
126F92.6Very high87.3Confident42 Ų4285.8 Ų85.818%0.18447%0.468CS..Hα-helixtrans-60.3-46.8177.6169.7-96.4000112.5K114 L115 E118 P120 Q122 I124 I128 D129 H130K114-F126 HydrophobicContact CB-CE1 4.11Å; K114-F126 HydrophobicContact CB-CZ 4.42Å; K114-F126 HydrophobicContact CD-CE1 4.32Å; K114-F126 HydrophobicContact CD-CZ 3.95Å; L115-F126 HydrophobicContact CD2-CD1 4.14Å; E118-F126 HydrophobicContact CB-CE2 4.18Å; E118-F126 HydrophobicContact CB-CZ 3.78Å; E118-F126 VanDerWaalsContact CD-CZ 3.46Å; E118-F126 HydrophobicContact CG-CZ 4.08Å; E118-F126 VanDerWaalsContact OE2-CE2 3.25Å; E118-F126 WeakPolarHBondContact OE2-CE2 3.42Å; E118-F126 WeakPolarHBondContact OE2-CZ 3.39Å; P120-F126 HydrophobicContact CB-CB 3.92Å; P120-F126 HydrophobicContact CB-CD1 4.33Å; P120-F126 HydrophobicContact CB-CD2 4.23Å; P120-F126 HydrophobicContact CB-CG 3.9Å; P120-F126 HydrophobicContact CG-CB 3.96Å; P120-F126 HydrophobicContact CG-CD1 3.68Å; P120-F126 HydrophobicContact CG-CD2 4.43Å; P120-F126 HydrophobicContact CG-CE1 4.24Å; P120-F126 HydrophobicContact CG-CG 3.76Å; Q122-F126 WeakPolarHBondContact O-CB 3.41Å; Q122-F126 PolarHBondContact O-N 3.4Å; I124-F126 VanDerWaalsContact C-N 3.31Å; I124-F126 PolarHBondContact O-N 3.35Å; F126-I128 VanDerWaalsContact C-N 3.29Å; F126-I128 PolarHBondContact O-N 2.91Å; F126-D129 PolarHBondContact O-N 3.35Å; F126-H130 WeakPolarHBondContact O-CB 3.23Å; F126-H130 PolarHBondContact O-N 3.35Å
127L93.1Very high85.2Confident37 Ų3788.3 Ų88.319%0.19448%0.482CS..Hα-helixtrans-63.8-34.8175.7-75.2179.2000112.7L111 L115 P123 I124 L131L111-L127 HydrophobicContact CB-CD2 3.79Å; L111-L127 HydrophobicContact CD2-CD2 3.57Å; L111-L127 HydrophobicContact CG-CD2 4.21Å; L115-L127 HydrophobicContact CD1-CD1 3.9Å; L115-L127 HydrophobicContact CD2-CD1 4.06Å; L115-L127 HydrophobicContact CD2-CD2 4.1Å; L115-L127 HydrophobicContact CD2-CG 3.84Å; L115-L127 HydrophobicContact CG-CD1 4.08Å; L115-L127 HydrophobicContact CG-CD2 4.01Å; L115-L127 HydrophobicContact CG-CG 4.14Å; P123-L127 WeakPolarHBondContact O-CB 3.39Å; P123-L127 VanDerWaalsContact O-CG 3.27Å; P123-L127 WeakPolarHBondContact O-CG 3.41Å; P123-L127 PolarHBondContact O-N 2.99Å; I124-L127 PolarHBondContact O-N 2.99Å; L127-L131 VanDerWaalsContact O-CB 3.31Å; L127-L131 WeakPolarHBondContact O-CB 3.26Å; L127-L131 VanDerWaalsContact O-CG 3.27Å; L127-L131 WeakPolarHBondContact O-CG 3.26Å; L127-L131 PolarHBondContact O-N 3.41Å
128I91.7Very high83.1Confident84 Ų8493 Ų9343%0.43149%0.489SS..Hα-helixtrans-65.4-47.3176.5-69.3165.2000110.4I124 P125 F126 L131 Q132I124-I128 HydrophobicContact CG2-CD1 3.91Å; I124-I128 VanDerWaalsContact O-CG1 3.29Å; I124-I128 WeakPolarHBondContact O-CG1 3.25Å; I124-I128 PolarHBondContact O-N 2.93Å; I124-I128 VanDerWaalsContact O-N 3.08Å; P125-I128 WeakPolarHBondContact O-CB 3.35Å; P125-I128 PolarHBondContact O-N 3.22Å; F126-I128 VanDerWaalsContact C-N 3.29Å; F126-I128 PolarHBondContact O-N 2.91Å; I128-L131 PolarHBondContact O-N 3.16Å; I128-Q132 WeakPolarHBondContact O-CB 3.38Å; I128-Q132 VanDerWaalsContact O-CG 3.26Å; I128-Q132 WeakPolarHBondContact O-CG 3.37Å; I128-Q132 PolarHBondContact O-N 2.76Å
129D91.2Very high81.1Confident107 Ų10791.6 Ų91.657%0.57250%0.501SS*.Hα-helixtrans-65.5-40.4177.1-172.962.6000112.1P125 F126 L131 Q132 S133P125-D129 PolarHBondContact O-N 3.03Å; F126-D129 PolarHBondContact O-N 3.35Å; D129-L131 PolarHBondContact O-N 3.3Å; D129-Q132 PolarHBondContact O-N 2.95Å; D129-S133 WeakPolarHBondContact O-CB 3.41Å; D129-S133 PolarHBondContact O-N 3.03Å; D129-S133 PolarHBondContact O-OG 2.85Å
130H90.4Very high79.2Confident14 Ų1492.4 Ų92.47%0.06550%0.497CS..Hα-helixtrans-62.1-41.4174.1-174.965.6000112.4E110 K114 F126 S133 K134E110-H130 IonicContact OE1-CD2 3.93Å; E110-H130 IonicContact OE1-CE1 3.38Å; E110-H130 PolarHBondContact OE1-CE1 3.19Å; E110-H130 IonicContact OE1-NE2 2.73Å; E110-H130 PolarHBondContact OE1-NE2 3.16Å; K114-H130 WeakPolarHBondContact CE-CE1 3.39Å; K114-H130 VanDerWaalsContact CE-ND1 3.35Å; K114-H130 WeakPolarHBondContact CE-ND1 2.99Å; K114-H130 PolarHBondContact NZ-ND1 3.08Å; K114-H130 VanDerWaalsContact NZ-ND1 3.18Å; F126-H130 WeakPolarHBondContact O-CB 3.23Å; F126-H130 PolarHBondContact O-N 3.35Å; H130-S133 WeakPolarHBondContact CA-OG 3.47Å; H130-S133 PolarHBondContact O-OG 2.84Å; H130-K134 VanDerWaalsContact O-CB 3.24Å; H130-K134 WeakPolarHBondContact O-CB 3.07Å; H130-K134 WeakPolarHBondContact O-CG 3.44Å; H130-K134 PolarHBondContact O-N 3.24Å
131L91.2Very high77.1Confident68 Ų6896.1 Ų96.136%0.35652%0.515SS..Hα-helixtrans-68.3-34.5174.8-78170000113.2L111 L127 I128 D129 Q135L111-L131 HydrophobicContact CD1-CD1 4.37Å; L111-L131 HydrophobicContact CD1-CD2 4.18Å; L111-L131 HydrophobicContact CD2-CD1 4.25Å; L111-L131 HydrophobicContact CD2-CD2 3.86Å; L111-L131 HydrophobicContact CD2-CG 3.74Å; L127-L131 VanDerWaalsContact O-CB 3.31Å; L127-L131 WeakPolarHBondContact O-CB 3.26Å; L127-L131 VanDerWaalsContact O-CG 3.27Å; L127-L131 WeakPolarHBondContact O-CG 3.26Å; L127-L131 PolarHBondContact O-N 3.41Å; I128-L131 PolarHBondContact O-N 3.16Å; D129-L131 PolarHBondContact O-N 3.3Å; L131-Q135 WeakPolarHBondContact O-CB 3.31Å; L131-Q135 PolarHBondContact O-N 3.18Å; L131-Q135 VanDerWaalsContact O-N 3.16Å
132Q86.3Confident75.3Confident117 Ų11796 Ų9655%0.54751%0.509SS..Hα-helixtrans-72.3-43.1177.1-73.8179.124.400111.7I128 D129 Q135I128-Q132 WeakPolarHBondContact O-CB 3.38Å; I128-Q132 VanDerWaalsContact O-CG 3.26Å; I128-Q132 WeakPolarHBondContact O-CG 3.37Å; I128-Q132 PolarHBondContact O-N 2.76Å; D129-Q132 PolarHBondContact O-N 2.95Å; Q132-Q135 WeakPolarHBondContact O-CB 3.39Å; Q132-Q135 PolarHBondContact O-N 2.68Å
133S85.9Confident73.3Confident72 Ų7297.7 Ų97.750%0.50351%0.509SS..Hα-helixtrans-67.3-41.217656.80000112.2D129 H130 Q135 G136D129-S133 WeakPolarHBondContact O-CB 3.41Å; D129-S133 PolarHBondContact O-N 3.03Å; D129-S133 PolarHBondContact O-OG 2.85Å; H130-S133 WeakPolarHBondContact CA-OG 3.47Å; H130-S133 PolarHBondContact O-OG 2.84Å; S133-Q135 PolarHBondContact O-N 3.46Å; S133-G136 PolarHBondContact O-N 3.46Å
134K76.9Confident70.9Confident123 Ų123100.4 Ų100.454%0.53553%0.525SS..Hα-helixtrans-61-26.8169.6-84.6-90.3169.5146.60113.9E110 H130 G136E110-K134 WeakPolarHBondContact OE1-CE 3.27Å; E110-K134 IonicContact OE1-NZ 2.77Å; E110-K134 PolarHBondContact OE1-NZ 3.45Å; E110-K134 IonicContact OE2-NZ 2.69Å; E110-K134 PolarHBondContact OE2-NZ 3.38Å; H130-K134 VanDerWaalsContact O-CB 3.24Å; H130-K134 WeakPolarHBondContact O-CB 3.07Å; H130-K134 WeakPolarHBondContact O-CG 3.44Å; H130-K134 PolarHBondContact O-N 3.24Å; K134-G136 PolarHBondContact O-N 2.95Å
135Q68.7Low68.7Low80 Ų80101.4 Ų101.437%0.37453%0.531SS..THydrogen-bonded Turntrans-77.63.5172.9-92.6-169.975.100114.8L131 Q132 S133 N137 R138L131-Q135 WeakPolarHBondContact O-CB 3.31Å; L131-Q135 PolarHBondContact O-N 3.18Å; L131-Q135 VanDerWaalsContact O-N 3.16Å; Q132-Q135 WeakPolarHBondContact O-CB 3.39Å; Q132-Q135 PolarHBondContact O-N 2.68Å; S133-Q135 PolarHBondContact O-N 3.46Å; Q135-N137 PolarHBondContact O-N 3.41Å; Q135-R138 PolarHBondContact O-N 3.07Å; Q135-R138 VanDerWaalsContact O-N 3.08Å
136G52Low66.6Low55 Ų55103.6 Ų103.657%0.56755%0.548SS*.THydrogen-bonded Turntrans31.485.3156.800000116.1S133 K134 R138S133-G136 PolarHBondContact O-N 3.46Å; K134-G136 PolarHBondContact O-N 2.95Å; G136-R138 VanDerWaalsContact C-N 3.33Å; G136-R138 PolarHBondContact O-N 3.4Å
137N49.3Very low64.2Low175 Ų175103.8 Ų103.894%0.93656%0.562SS**THydrogen-bonded Turntrans63.322.7177.5-69.2-36.6000116.9Q135 G139Q135-N137 PolarHBondContact O-N 3.41Å; N137-G139 PolarHBondContact O-N 3.36Å
138R48.4Very low62.1Low192 Ų192107.2 Ų107.273%0.72559%0.588SS**  trans-76.670.3150.8-79.4-166165.3-162.7-3111.6Q135 G136 Q140Q135-R138 PolarHBondContact O-N 3.07Å; Q135-R138 VanDerWaalsContact O-N 3.08Å; G136-R138 VanDerWaalsContact C-N 3.33Å; G136-R138 PolarHBondContact O-N 3.4Å; R138-Q140 PolarHBondContact O-N 3.02Å
139G48.6Very low60Low67 Ų67107 Ų10769%0.69160%0.599SS**THydrogen-bonded Turntrans-66.736.2168.900000114.4N137N137-G139 PolarHBondContact O-N 3.36Å
140Q51.2Low57.9Low122 Ų122104.1 Ų104.157%0.5759%0.59SS**THydrogen-bonded Turntrans-147.626.3-173-155.5174.6-10.300113R138 R143R138-Q140 PolarHBondContact O-N 3.02Å; Q140-R143 HydrophobicContact CG-CB 4.44Å
141L44.9Very low55.8Low111 Ų111110.2 Ų110.258%0.58162%0.623SS**SBendtrans-76.7-6.9149.2-66.9-179000111.8
142Q50.2Low53.7Low167 Ų167117.8 Ų117.878%0.7865%0.647SS**SBendtrans-102.860.7168.7-73.2-70.2-4.900111.9
143R50Low51.8Low170 Ų170116.3 Ų116.364%0.64266%0.655SS**SBendtrans-171-7.1155.7-121.6161.4-68.3144.63119.6Q140 L145 S146Q140-R143 HydrophobicContact CG-CB 4.44Å; R143-L145 VanDerWaalsContact C-N 3.25Å; R143-L145 PolarHBondContact O-N 2.88Å; R143-S146 WeakPolarHBondContact O-CB 3.45Å; R143-S146 PolarHBondContact O-N 3.45Å
144T40.6Very low49.3Very low115 Ų115121 Ų12171%0.70667%0.669SS**THydrogen-bonded Turntrans-80.2-1-178.643.90000114.8
145L45.2Very low47.4Very low145 Ų145120.1 Ų120.176%0.75968%0.678SS**THydrogen-bonded Turntrans-97.933.1162.9-64.5179.7000112.7R143 G147 A150R143-L145 VanDerWaalsContact C-N 3.25Å; R143-L145 PolarHBondContact O-N 2.88Å; L145-G147 PolarHBondContact O-N 2.75Å; L145-A150 WeakPolarHBondContact O-CB 3.17Å
146S50.9Low45.6Very low113 Ų113125.2 Ų125.279%0.7970%0.702SS**  trans-74.455.6167.7-176.80000111.9R143R143-S146 WeakPolarHBondContact O-CB 3.45Å; R143-S146 PolarHBondContact O-N 3.45Å
147G41Very low44.7Very low46 Ų46129.6 Ų129.647%0.47472%0.718SS.*SBendtrans-127154.6165.800000109L145 A149 A150L145-G147 PolarHBondContact O-N 2.75Å; G147-A149 PolarHBondContact O-N 3.1Å; G147-A150 PolarHBondContact O-N 3.44Å; G147-A150 VanDerWaalsContact O-N 3.16Å
148S49.1Very low43.9Very low108 Ų108126.4 Ų126.476%0.75571%0.709SS**THydrogen-bonded Turntrans-60.22.5-162.8-42.80000117.7
149A47.7Very low43.1Very low80 Ų80127 Ų12766%0.66172%0.72SS**THydrogen-bonded Turntrans-81.8-26.4173.200000113.6G147 L151 W152G147-A149 PolarHBondContact O-N 3.1Å; A149-L151 PolarHBondContact O-N 2.89Å; A149-W152 PolarHBondContact O-N 3.3Å
150A46.3Very low42.1Very low46 Ų46129.2 Ų129.238%0.3873%0.725SS.*G310 helixtrans-65.4-24.7-175.400000114.1L145 G147 W152 A153L145-A150 WeakPolarHBondContact O-CB 3.17Å; G147-A150 PolarHBondContact O-N 3.44Å; G147-A150 VanDerWaalsContact O-N 3.16Å; A150-W152 PolarHBondContact O-N 3.38Å; A150-W152 VanDerWaalsContact O-N 3.1Å; A150-A153 PolarHBondContact O-N 3.28Å
151L46.5Very low41.3Very low143 Ų143134 Ų13475%0.74974%0.744SS**G310 helixtrans-69.3-4-179.5-64.5175.9000114.7A149A149-L151 PolarHBondContact O-N 2.89Å
152W48.7Very low40.8Very low226 Ų226132.1 Ų132.186%0.85675%0.751SS**G310 helixtrans-102.2-2177.7-56.493.1000113.4A149 A150A149-W152 PolarHBondContact O-N 3.3Å; A150-W152 PolarHBondContact O-N 3.38Å; A150-W152 VanDerWaalsContact O-N 3.1Å
153A45.3Very low40.3Very low87 Ų87131 Ų13172%0.71976%0.756SS**SBendtrans-115.3-3.3-173.500000114.4A150A150-A153 PolarHBondContact O-N 3.28Å
154E34.1Very low39.5Very low169 Ų169132.1 Ų132.179%0.7976%0.76SS**  trans-90.9104.8168.2-81.3-177.7124.400109.9
155S36.1Very low39.3Very low105 Ų105135.9 Ų135.973%0.73476%0.762SS**  trans-142.8109.6163.6-69.20000110.1
156E32.1Very low39Very low187 Ų187135.7 Ų135.787%0.87476%0.761SS**  trans69.975.4145-54.2-174.8165.800118.6
157T32.4Very low38.3Very low148 Ų148139.3 Ų139.391%0.90876%0.763SS**  trans-101.183.8143.546.10000110.9
158S33.1Very low38.5Very low108 Ų108147.3 Ų147.376%0.75578%0.779SS**  trans-171.712314933.70000111.5S160S158-S160 PolarHBondContact O-N 2.76Å
159E31.6Very low38.3Very low204 Ų204147.7 Ų147.795%0.95378%0.782SS**  trans-62.5125167.7-75-18077.200110.5
160S26.3Very low37.7Very low114 Ų114152.5 Ų152.580%0.79778%0.784SS**  trans-141.6120.3150.870.60000112.3S158 G162S158-S160 PolarHBondContact O-N 2.76Å; S160-G162 PolarHBondContact O-N 2.92Å; S160-G162 VanDerWaalsContact O-N 3.16Å
161K35.1Very low37.5Very low223 Ų223156.9 Ų156.997%0.9780%0.801SS**  trans-47.2106.7177.2-179.4177.8-175.5170.30113
162G33.8Very low38.2Very low70 Ų70155.5 Ų155.572%0.72279%0.789SS**  trans-15994.1178.100000114.2S160S160-G162 PolarHBondContact O-N 2.92Å; S160-G162 VanDerWaalsContact O-N 3.16Å
163T39.7Very low38.3Very low145 Ų145149.1 Ų149.189%0.8978%0.777SS**  trans-59.4145.4166.4-420000110.3
164R33.7Very low38.6Very low193 Ų193154.3 Ų154.373%0.72878%0.778SS**  trans128.6105.5134.2-157.4-156.7-170.2-152.38.1116.3
165R36.3Very low39.4Very low194 Ų194152.7 Ų152.773%0.73277%0.77SS**  trans95.4114.7157.4-49.9-153.7-169.1134.7-7.9119.2
166D39.6Very low39.9Very low140 Ų140155.2 Ų155.275%0.74978%0.775SS**  trans-56.4-174.4149.2-56.1-83.1000114.7
167F36.6Very low40.2Very low190 Ų190153.3 Ų153.383%0.83377%0.771SS**  trans90.559.5173.2-51.9-69.8000117
168R44.5Very low40.9Very low214 Ų214150.9 Ų150.981%0.80877%0.766SS**  trans-122.558.1138.8-69.8-163.1-178.4-79.82.2111.9Y170R168-Y170 VanDerWaalsContact C-N 3.32Å; R168-Y170 PolarHBondContact O-N 3.37Å
169S44Very low41.5Very low115 Ų115155 Ų15580%0.80477%0.77SS**  trans-67.297157.9-174.80000107.6D171S169-D171 PolarHBondContact O-N 2.99Å
170Y35.7Very low42.5Very low182 Ų182154.4 Ų154.471%0.71476%0.764SS**  trans-74.7117164.7-95.9-85.9000107.6R168 K172R168-Y170 VanDerWaalsContact C-N 3.32Å; R168-Y170 PolarHBondContact O-N 3.37Å; Y170-K172 PolarHBondContact O-N 3Å
171D42.8Very low43.3Very low138 Ų138154.9 Ų154.974%0.73876%0.764SS**  trans-56.4131.7169.1-170.76.6000109.3S169 P173S169-D171 PolarHBondContact O-N 2.99Å; D171-P173 VanDerWaalsContact C-CD 3.48Å; D171-P173 WeakPolarHBondContact O-CD 3.5Å
172K59.8Low43.6Very low113 Ų113153.9 Ų153.949%0.49176%0.76SS.*  trans-107.579.8-174.8-67.8-177.9-177.3173.50108.8Y170 W174 Q175Y170-K172 PolarHBondContact O-N 3Å; K172-W174 HydrophobicContact CB-CD2 4.3Å; K172-W174 HydrophobicContact CB-CH2 4.41Å; K172-W174 HydrophobicContact CB-CZ2 3.88Å; K172-W174 HydrophobicContact CD-CZ2 4.15Å; K172-W174 HydrophobicContact CG-CH2 4.25Å; K172-W174 HydrophobicContact CG-CZ2 3.69Å; K172-W174 PolarHBondContact O-N 3.32Å; K172-Q175 HydrophobicContact CB-CG 4.25Å; K172-Q175 PolarHBondContact O-N 3.32Å
173P52.1Low44.2Very low93 Ų93161 Ų16160%0.60477%0.771SS**G310 helixtrans-62.6-12.2-170.524.7-36.2000114.5D171D171-P173 VanDerWaalsContact C-CD 3.48Å; D171-P173 WeakPolarHBondContact O-CD 3.5Å
174W51.7Low43.9Very low196 Ų196159.5 Ų159.574%0.74277%0.767SS**G310 helixtrans-79.3-9175.454.186.5000114.8K172 L176K172-W174 HydrophobicContact CB-CD2 4.3Å; K172-W174 HydrophobicContact CB-CH2 4.41Å; K172-W174 HydrophobicContact CB-CZ2 3.88Å; K172-W174 HydrophobicContact CD-CZ2 4.15Å; K172-W174 HydrophobicContact CG-CH2 4.25Å; K172-W174 HydrophobicContact CG-CZ2 3.69Å; K172-W174 PolarHBondContact O-N 3.32Å; W174-L176 VanDerWaalsContact C-N 3.34Å
175Q51Low44.3Very low135 Ų135159.8 Ų159.863%0.63177%0.773SS**G310 helixtrans-83.4-5178-65.8-161.6-85.600114.4K172 N177K172-Q175 HydrophobicContact CB-CG 4.25Å; K172-Q175 PolarHBondContact O-N 3.32Å; Q175-N177 PolarHBondContact O-N 2.83Å; Q175-N177 VanDerWaalsContact O-N 3.1Å
176L45.1Very low44.9Very low157 Ų157155.3 Ų155.382%0.82277%0.772SS**SBendtrans-81.188.8169.1-67.2-179000110.7W174 A178W174-L176 VanDerWaalsContact C-N 3.34Å; L176-A178 PolarHBondContact O-N 2.93Å
177N39.4Very low44.8Very low148 Ų148156 Ų15679%0.79178%0.775SS**  trans-49.1126.2173.9-93-71000112.4Q175 K179Q175-N177 PolarHBondContact O-N 2.83Å; Q175-N177 VanDerWaalsContact O-N 3.1Å; N177-K179 VanDerWaalsContact C-N 3.26Å; N177-K179 PolarHBondContact O-N 3.24Å
178A46.3Very low44.7Very low97 Ų97154.4 Ų154.480%0.80278%0.775SS**  trans-7469.7-17800000113L176 K180L176-A178 PolarHBondContact O-N 2.93Å; A178-K180 PolarHBondContact O-N 2.73Å
179K46.5Very low44.4Very low195 Ų195148.5 Ų148.585%0.84877%0.772SS**  trans-68.6100165.5-76.2-169.5175.8-179.90109.3N177N177-K179 VanDerWaalsContact C-N 3.26Å; N177-K179 PolarHBondContact O-N 3.24Å
180K53.1Low43.9Very low190 Ų190149.2 Ų149.283%0.82677%0.771SS**  trans-54.2123.8174.4-61.3169.4-175.8168.60109.8A178 K182A178-K180 PolarHBondContact O-N 2.73Å; K180-K182 PolarHBondContact O-N 3.06Å; K180-K182 VanDerWaalsContact O-N 3.17Å
181P43.1Very low43.8Very low124 Ų124145.8 Ų145.881%0.80577%0.773SS**  trans-67.8115.917026.3-31.5000109.3
182K41Very low43.7Very low203 Ų203146.6 Ų146.688%0.88378%0.778SS**  trans-60.9137.3168.6-76.8-177.5177.3177.40108.5K180 S184K180-K182 PolarHBondContact O-N 3.06Å; K180-K182 VanDerWaalsContact O-N 3.17Å; K182-S184 PolarHBondContact O-N 2.76Å; K182-S184 VanDerWaalsContact O-N 3.08Å
183K46.4Very low42.5Very low218 Ų218149 Ų14995%0.94880%0.795SS**  trans-66.8107.7176.9-62.5180-178178.10109.1
184S34Very low41.6Very low115 Ų115149.3 Ų149.380%0.80480%0.799SS**  trans-112.8134.8157.9-166.30000108.5K182K182-S184 PolarHBondContact O-N 2.76Å; K182-S184 VanDerWaalsContact O-N 3.08Å
185K41.4Very low41.6Very low198 Ų198145.9 Ų145.986%0.86180%0.801SS**  trans-130138.6-178.3172.6-175169.369.30106.5
186S48.9Very low41.3Very low100 Ų100145.2 Ų145.270%0.69981%0.809SS**  trans80.8145.8-168.388.40000113.6
187D36.4Very low40.5Very low154 Ų154142.8 Ų142.882%0.82481%0.805SS**  cis-142.1167.50.3-134.5-26.6000115.7
188L36.3Very low40.3Very low158 Ų158141.1 Ų141.183%0.82780%0.801SS**  trans-71.5125.9-176.9176.777.3000113.3
189A36.9Very low39.5Very low90 Ų90143.9 Ų143.974%0.74480%0.802SS**  trans-163.6110.2147.900000114.6
190V34.4Very low39.1Very low130 Ų130140.1 Ų140.179%0.78880%0.8SS**  trans35.7111.2132.5-167.60000119.4
191S32.3Very low38.4Very low109 Ų109140.9 Ų140.976%0.76280%0.803SS**  -170.8120112-79.70000112.7
192N41.4Very low38Very low155 Ų155140.5 Ų140.583%0.82980%0.803SS**  trans-139.1167.2159.4-97.7-82.9000106.2
193I34.7Very low37.9Very low165 Ų165138.4 Ų138.485%0.84680%0.801SS**  trans82.5112.2-174.2-48.3152.6000110.7
194S33.2Very low37.6Very low99 Ų99133.9 Ų133.969%0.69279%0.794SS**  cis-150.7173.39.5-470000112.1
195P50.9Low37.8Very low123 Ų123139.2 Ų139.280%0.79980%0.796SS**  trans-124156.9136.738.1-30.3000111.4
196P44.4Very low37.8Very low121 Ų121134.9 Ų134.979%0.78679%0.791SS**  -153.3179.799.739.9-22.1000116.1
197S28.4Very low37.3Very low107 Ų107135.9 Ų135.975%0.74879%0.793SS**  trans76.8137.5167.7-129.60000116.3
198T36.1Very low37.3Very low113 Ų113136.6 Ų136.669%0.69379%0.791SS**  cis-163.4149.3-11.73.10000108.2
199D29.7Very low37.5Very low154 Ų154137.4 Ų137.482%0.82479%0.79SS**  trans58.8131.6175.9-68.3-62.5000116.3
200S37.9Very low38Very low116 Ų116138.9 Ų138.981%0.81179%0.792SS**  cis-153.8167.93952.90000113.5
201K38.7Very low38.4Very low207 Ų207141.2 Ų141.290%0.979%0.792SS**  trans-63.9128.9-168.6-65.1162.7177.5165.90115.8
202S33.5Very low39.3Very low115 Ų115146.9 Ų146.980%0.80480%0.797SS**  -159.6149127.859.30000111.5
203L39.3Very low40.1Very low160 Ų160144 Ų14484%0.83878%0.781SS**  trans-86.2149.5174.4-80.9162000109.7
204P41.8Very low41Very low122 Ų122145 Ų14579%0.79277%0.774SS**  -133.3157.99836.9-28.3000115.1S206P204-S206 PolarHBondContact O-N 3.41Å
205R37.8Very low41.7Very low227 Ų227149.5 Ų149.586%0.85778%0.776SS**  trans-76.3107.5-178.9177-177.2-71.1147.7-4.2110.5V207R205-V207 PolarHBondContact O-N 2.92Å
206S40.2Very low41.5Very low107 Ų107148.4 Ų148.475%0.74877%0.768SS**  trans-66.3123.9169.555.50000110.6P204 E208P204-S206 PolarHBondContact O-N 3.41Å; S206-E208 PolarHBondContact O-N 2.73Å
207V39.7Very low41.8Very low121 Ų121152.5 Ų152.573%0.73377%0.773SS**  trans-80.6114.6169.2175.40000108.4R205 H209R205-V207 PolarHBondContact O-N 2.92Å; V207-H209 PolarHBondContact O-N 3.26Å
208E36.8Very low42.7Very low169 Ų169152.1 Ų152.179%0.7977%0.768SS**  trans-53.4114.4173.4-167.795.7-163.400110.3S206 P210S206-E208 PolarHBondContact O-N 2.73Å; E208-P210 WeakPolarHBondContact O-CD 3.37Å
209H39Very low43.6Very low175 Ų175156.3 Ų156.381%0.8178%0.78SS**  trans-70.2123.1174.6-75.3-79.2000110V207 K211V207-H209 PolarHBondContact O-N 3.26Å; H209-K211 PolarHBondContact O-N 2.96Å
210P48.9Very low44.7Very low121 Ų121150.6 Ų150.679%0.78675%0.752SS**  trans-61.8121.9-179.7-23.934.6000111.9E208 W212E208-P210 WeakPolarHBondContact O-CD 3.37Å; P210-W212 PolarHBondContact O-N 3.35Å
211K41.2Very low45.6Very low180 Ų180155.2 Ų155.278%0.78375%0.751SS**  trans-62.9108.8179-171.5172.7-176.3172.30110.6H209 N213H209-K211 PolarHBondContact O-N 2.96Å; K211-N213 VanDerWaalsContact O-CG 3.3Å; K211-N213 PolarHBondContact O-N 3.39Å; K211-N213 VanDerWaalsContact O-N 3.14Å; K211-N213 PolarHBondContact O-ND2 3.04Å; K211-N213 PolarHBondContact O-OD1 3.41Å
212W52.8Low46.7Very low227 Ų227150.7 Ų150.786%0.8674%0.737SS**  trans-63.6110.4-177.7179.6-98.2000112P210P210-W212 PolarHBondContact O-N 3.35Å
213N57.2Low48.7Very low95 Ų95151.9 Ų151.951%0.50873%0.728SS.*  trans-105.893.1-177-64.5-39.4000110.5K211 R215 T216K211-N213 VanDerWaalsContact O-CG 3.3Å; K211-N213 PolarHBondContact O-N 3.39Å; K211-N213 VanDerWaalsContact O-N 3.14Å; K211-N213 PolarHBondContact O-ND2 3.04Å; K211-N213 PolarHBondContact O-OD1 3.41Å; N213-R215 PolarHBondContact O-N 2.92Å; N213-T216 PolarHBondContact O-N 2.86Å; N213-T216 PolarHBondContact O-OG1 3.17Å
214W54.6Low50.6Low185 Ų185149.5 Ų149.570%0.70172%0.716SS**THydrogen-bonded Turntrans-58.5-6.817962-95.5000115.6
215R46.8Very low52.5Low195 Ų195150.3 Ų150.374%0.73671%0.71SS**THydrogen-bonded Turntrans-102-3.8-175.1-130.9-175.5-63.1-123.68.7114.6N213N213-R215 PolarHBondContact O-N 2.92Å
216T47.2Very low54.5Low100 Ų100144.3 Ų144.361%0.61369%0.694SS**SBendtrans-95.9110.1168.242.90000109.1N213 P218N213-T216 PolarHBondContact O-N 2.86Å; N213-T216 PolarHBondContact O-OG1 3.17Å; T216-P218 VanDerWaalsContact O-CD 3.29Å; T216-P218 WeakPolarHBondContact O-CD 3.42Å
217K49.3Very low56.6Low206 Ų206143.2 Ų143.290%0.89668%0.68SS**  trans-53.7121.4176.2-84.2-175.6172.4-176.90110.6
218P48.9Very low58.7Low99 Ų99142.5 Ų142.564%0.64367%0.668SS**  trans-68.7136.1155.6-9.226.5000108.1T216 S220T216-P218 VanDerWaalsContact O-CD 3.29Å; T216-P218 WeakPolarHBondContact O-CD 3.42Å; P218-S220 PolarHBondContact O-N 2.97Å; P218-S220 PolarHBondContact O-OG 3.41Å
219Q54.6Low61.1Low202 Ų202138.6 Ų138.694%0.94465%0.652SS**  trans-73.163.8165-172.68522.800108.5R221Q219-R221 PolarHBondContact O-N 3.31Å
220S52.5Low63.5Low34 Ų34135 Ų13524%0.23864%0.638CS.*  trans-79.799.5-173.835.80000110.2P218 D222 F223P218-S220 PolarHBondContact O-N 2.97Å; P218-S220 PolarHBondContact O-OG 3.41Å; S220-D222 WeakPolarHBondContact CA-OD2 3.45Å; S220-D222 WeakPolarHBondContact CB-OD2 3.3Å; S220-D222 PolarHBondContact O-N 3.2Å; S220-D222 VanDerWaalsContact O-N 3.15Å; S220-F223 WeakPolarHBondContact OG-CD2 3.3Å
221R57.8Low65.2Low212 Ų212134.2 Ų134.280%0.862%0.624SS**THydrogen-bonded Turntrans-60.9-13.6169.7-160.4170.2-179.1164.1-2.9112.2Q219 F223 D224Q219-R221 PolarHBondContact O-N 3.31Å; R221-F223 VanDerWaalsContact C-N 3.34Å; R221-F223 PolarHBondContact O-N 3.28Å; R221-D224 PolarHBondContact O-N 2.69Å
222D61.4Low67.2Low113 Ų113130 Ų13060%0.60461%0.607SS**Hα-helixtrans-71.7-23-173-32.7-55.7000113.1S220S220-D222 WeakPolarHBondContact CA-OD2 3.45Å; S220-D222 WeakPolarHBondContact CB-OD2 3.3Å; S220-D222 PolarHBondContact O-N 3.2Å; S220-D222 VanDerWaalsContact O-N 3.15Å
223F74.6Confident68.5Low139 Ų139122.1 Ų122.161%0.6159%0.586SS**Hα-helixtrans-85.1-19.9174.4-67.9-71.5000113.5S220 R221 N227S220-F223 WeakPolarHBondContact OG-CD2 3.3Å; R221-F223 VanDerWaalsContact C-N 3.34Å; R221-F223 PolarHBondContact O-N 3.28Å; F223-N227 VanDerWaalsContact O-CB 3.22Å; F223-N227 WeakPolarHBondContact O-CB 3.31Å; F223-N227 PolarHBondContact O-N 3.32Å
224D79.8Confident70Confident110 Ų110124.2 Ų124.259%0.58859%0.591SS**Hα-helixtrans-69.5-38-179.5-68.7-39.1000111.1R221 N227 H228R221-D224 PolarHBondContact O-N 2.69Å; D224-N227 PolarHBondContact O-N 3.06Å; D224-H228 WeakPolarHBondContact O-CB 3.39Å; D224-H228 PolarHBondContact O-N 2.77Å
225E81.1Confident71.7Confident140 Ų140121.3 Ų121.365%0.65458%0.583SS**Hα-helixtrans-67.4-46.6176-173.4168.8-159.700112N227 H228 I229E225-N227 VanDerWaalsContact C-N 3.31Å; E225-N227 PolarHBondContact O-N 3.33Å; E225-H228 VanDerWaalsContact O-CB 3.3Å; E225-H228 WeakPolarHBondContact O-CB 3.39Å; E225-H228 PolarHBondContact O-N 3.12Å; E225-H228 VanDerWaalsContact O-N 3.11Å; E225-I229 HydrophobicContact CG-CD1 4.18Å; E225-I229 WeakPolarHBondContact O-CG1 3.28Å; E225-I229 PolarHBondContact O-N 3.43Å
226L80.8Confident73.7Confident101 Ų101118 Ų11853%0.52958%0.58SS.*Hα-helixtrans-61.9-37.6174.6-70.2173.8000112.4L230L226-L230 WeakPolarHBondContact O-CB 2.91Å; L226-L230 WeakPolarHBondContact O-CG 3.36Å; L226-L230 PolarHBondContact O-N 2.92Å
227N83.3Confident75.6Confident84 Ų84115.1 Ų115.145%0.44957%0.569SS.*Hα-helixtrans-69.9-34.2174.9-167.413.7000111.7F223 D224 E225 L230 Q231F223-N227 VanDerWaalsContact O-CB 3.22Å; F223-N227 WeakPolarHBondContact O-CB 3.31Å; F223-N227 PolarHBondContact O-N 3.32Å; D224-N227 PolarHBondContact O-N 3.06Å; E225-N227 VanDerWaalsContact C-N 3.31Å; E225-N227 PolarHBondContact O-N 3.33Å; N227-L230 PolarHBondContact O-N 2.89Å; N227-Q231 WeakPolarHBondContact O-CG 3.46Å; N227-Q231 PolarHBondContact O-N 3.45Å
228H85.3Confident77.6Confident105 Ų105112.3 Ų112.349%0.48656%0.557SS.*Hα-helixtrans-60.6-53.6171.5-164.478.1000110.7D224 E225 L230 Q231 E232D224-H228 WeakPolarHBondContact O-CB 3.39Å; D224-H228 PolarHBondContact O-N 2.77Å; E225-H228 VanDerWaalsContact O-CB 3.3Å; E225-H228 WeakPolarHBondContact O-CB 3.39Å; E225-H228 PolarHBondContact O-N 3.12Å; E225-H228 VanDerWaalsContact O-N 3.11Å; H228-L230 VanDerWaalsContact C-N 3.29Å; H228-L230 PolarHBondContact O-N 2.94Å; H228-Q231 CarbonylContact O-C 3.59Å; H228-Q231 WeakPolarHBondContact O-CA 3.5Å; H228-Q231 PolarHBondContact O-N 3.5Å; H228-E232 IonicContact CD2-OE2 3.26Å; H228-E232 PolarHBondContact CD2-OE2 2.92Å; H228-E232 VanDerWaalsContact CD2-OE2 3.26Å; H228-E232 IonicContact NE2-OE1 3.56Å; H228-E232 IonicContact NE2-OE2 3.59Å; H228-E232 WeakPolarHBondContact O-CG 3.42Å; H228-E232 PolarHBondContact O-N 3.37Å
229I87.3Confident79.5Confident88 Ų88110.3 Ų110.345%0.45155%0.549SS..Hα-helixtrans-57.4-40.8177.2-65.2160.9000111.3E225 Q231 E232 S233E225-I229 HydrophobicContact CG-CD1 4.18Å; E225-I229 WeakPolarHBondContact O-CG1 3.28Å; E225-I229 PolarHBondContact O-N 3.43Å; I229-Q231 VanDerWaalsContact C-N 3.28Å; I229-Q231 PolarHBondContact O-N 2.96Å; I229-E232 PolarHBondContact O-N 2.86Å; I229-S233 WeakPolarHBondContact O-CB 3.29Å; I229-S233 PolarHBondContact O-N 2.99Å; I229-S233 PolarHBondContact O-OG 2.85Å
230L87.9Confident81.1Confident99 Ų99106.3 Ų106.352%0.51853%0.533SS..Hα-helixtrans-68.1-21.3174.9-78.9170.3000114.2L226 N227 H228 S233 K234L226-L230 WeakPolarHBondContact O-CB 2.91Å; L226-L230 WeakPolarHBondContact O-CG 3.36Å; L226-L230 PolarHBondContact O-N 2.92Å; N227-L230 PolarHBondContact O-N 2.89Å; H228-L230 VanDerWaalsContact C-N 3.29Å; H228-L230 PolarHBondContact O-N 2.94Å; L230-S233 WeakPolarHBondContact CA-OG 3.43Å; L230-S233 PolarHBondContact O-OG 3.33Å; L230-K234 VanDerWaalsContact O-CD 3.26Å; L230-K234 WeakPolarHBondContact O-CD 3.3Å; L230-K234 VanDerWaalsContact O-CG 3.26Å; L230-K234 WeakPolarHBondContact O-CG 3.35Å
231Q84.7Confident82.7Confident105 Ų105109.1 Ų109.149%0.49154%0.543SS..Hα-helixtrans-89-34.8171.2-72-162.138.900112.6N227 H228 I229 K234 K235N227-Q231 WeakPolarHBondContact O-CG 3.46Å; N227-Q231 PolarHBondContact O-N 3.45Å; H228-Q231 CarbonylContact O-C 3.59Å; H228-Q231 WeakPolarHBondContact O-CA 3.5Å; H228-Q231 PolarHBondContact O-N 3.5Å; I229-Q231 VanDerWaalsContact C-N 3.28Å; I229-Q231 PolarHBondContact O-N 2.96Å; Q231-K234 PolarHBondContact O-N 2.94Å; Q231-K235 WeakPolarHBondContact O-CG 3.32Å; Q231-K235 PolarHBondContact O-N 3.07Å
232E84.4Confident84.1Confident92 Ų92104.3 Ų104.343%0.4353%0.533SS..Hα-helixtrans-67.6-43.5175.5-67.8-166116.600112.1H228 I229 K234 K235 L236H228-E232 IonicContact CD2-OE2 3.26Å; H228-E232 PolarHBondContact CD2-OE2 2.92Å; H228-E232 VanDerWaalsContact CD2-OE2 3.26Å; H228-E232 IonicContact NE2-OE1 3.56Å; H228-E232 IonicContact NE2-OE2 3.59Å; H228-E232 WeakPolarHBondContact O-CG 3.42Å; H228-E232 PolarHBondContact O-N 3.37Å; I229-E232 PolarHBondContact O-N 2.86Å; E232-K234 VanDerWaalsContact C-N 3.27Å; E232-K234 PolarHBondContact O-N 3.26Å; E232-K235 WeakPolarHBondContact O-CA 3.45Å; E232-K235 WeakPolarHBondContact O-CB 3.45Å; E232-K235 PolarHBondContact O-N 2.88Å; E232-L236 PolarHBondContact O-N 3.03Å
233S80.2Confident85.4Confident61 Ų61103.5 Ų103.543%0.42753%0.528SS..Hα-helixtrans-57.9-37.1170.751.10000112.8I229 L230 L236 G237I229-S233 WeakPolarHBondContact O-CB 3.29Å; I229-S233 PolarHBondContact O-N 2.99Å; I229-S233 PolarHBondContact O-OG 2.85Å; L230-S233 WeakPolarHBondContact CA-OG 3.43Å; L230-S233 PolarHBondContact O-OG 3.33Å; S233-L236 PolarHBondContact O-N 3.42Å; S233-G237 PolarHBondContact O-N 3.22Å
234K87.9Confident85.9Confident139 Ų139100.5 Ų100.560%0.60452%0.524SS*.Hα-helixtrans-69.1-31.1172.2-73.6171.8-172.21690113.5L230 Q231 E232 K238L230-K234 VanDerWaalsContact O-CD 3.26Å; L230-K234 WeakPolarHBondContact O-CD 3.3Å; L230-K234 VanDerWaalsContact O-CG 3.26Å; L230-K234 WeakPolarHBondContact O-CG 3.35Å; Q231-K234 PolarHBondContact O-N 2.94Å; E232-K234 VanDerWaalsContact C-N 3.27Å; E232-K234 PolarHBondContact O-N 3.26Å; K234-K238 WeakPolarHBondContact O-CG 3.42Å; K234-K238 PolarHBondContact O-N 2.93Å
235K90.3Very high86Confident123 Ų123101.4 Ų101.454%0.53552%0.519SS..Hα-helixtrans-71-44.7172.3-68.1167.9-169.91690110.5Q231 E232 K238 A239Q231-K235 WeakPolarHBondContact O-CG 3.32Å; Q231-K235 PolarHBondContact O-N 3.07Å; E232-K235 WeakPolarHBondContact O-CA 3.45Å; E232-K235 WeakPolarHBondContact O-CB 3.45Å; E232-K235 PolarHBondContact O-N 2.88Å; K235-K238 PolarHBondContact O-N 3.3Å; K235-A239 PolarHBondContact O-N 2.9Å
236L88.3Confident85.9Confident127 Ų12797.6 Ų97.667%0.66551%0.509SS*.Hα-helixtrans-60.4-45.4176.5-173.669.3000111.4E232 S233 K238 A239 L240E232-L236 PolarHBondContact O-N 3.03Å; S233-L236 PolarHBondContact O-N 3.42Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 PolarHBondContact O-N 2.66Å; L236-A239 WeakPolarHBondContact O-CB 3.42Å; L236-A239 PolarHBondContact O-N 3Å; L236-A239 VanDerWaalsContact O-N 3.12Å; L236-L240 WeakPolarHBondContact O-CB 3.48Å; L236-L240 PolarHBondContact O-N 2.84Å
237G88.1Confident85.7Confident38 Ų3897.1 Ų97.139%0.39251%0.506SS..Hα-helixtrans-57.3-42.6175.300000112.9S233 L240 E241S233-G237 PolarHBondContact O-N 3.22Å; G237-L240 PolarHBondContact O-N 3.41Å; G237-E241 WeakPolarHBondContact O-CB 3.45Å; G237-E241 PolarHBondContact O-N 3.03Å
238K90.1Very high85.1Confident147 Ų14796.1 Ų96.164%0.63951%0.509SS*.Hα-helixtrans-67.8-36.6174.7-71.6174.4-179.6-175.70113.1K234 K235 L236 E241 N242K234-K238 WeakPolarHBondContact O-CG 3.42Å; K234-K238 PolarHBondContact O-N 2.93Å; K235-K238 PolarHBondContact O-N 3.3Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 PolarHBondContact O-N 2.66Å; K238-E241 PolarHBondContact O-N 3.05Å; K238-N242 VanDerWaalsContact O-CB 3.31Å; K238-N242 WeakPolarHBondContact O-CB 3.34Å; K238-N242 PolarHBondContact O-N 3.29Å
239A88.4Confident84.2Confident58 Ų5896.7 Ų96.748%0.47951%0.514SS..Hα-helixtrans-66.1-41.7175.400000111.2K235 L236 N242 L243K235-A239 PolarHBondContact O-N 2.9Å; L236-A239 WeakPolarHBondContact O-CB 3.42Å; L236-A239 PolarHBondContact O-N 3Å; L236-A239 VanDerWaalsContact O-N 3.12Å; A239-N242 PolarHBondContact O-N 2.93Å; A239-L243 WeakPolarHBondContact O-CB 3.47Å; A239-L243 PolarHBondContact O-N 3.16Å
240L89.4Confident82.9Confident117 Ų11795.4 Ų95.461%0.61351%0.513SS*.Hα-helixtrans-65.1-41.8174.8-175.763.8000112L236 G237 N242 L243 S244L236-L240 WeakPolarHBondContact O-CB 3.48Å; L236-L240 PolarHBondContact O-N 2.84Å; G237-L240 PolarHBondContact O-N 3.41Å; L240-N242 VanDerWaalsContact C-N 3.32Å; L240-N242 PolarHBondContact O-N 2.81Å; L240-L243 PolarHBondContact O-N 3.12Å; L240-S244 VanDerWaalsContact O-CB 3.32Å; L240-S244 WeakPolarHBondContact O-CB 3.23Å; L240-S244 PolarHBondContact O-N 2.82Å
241E85.3Confident81.5Confident94 Ų9495.4 Ų95.444%0.43951%0.514SS..Hα-helixtrans-66.8-33.2175.9-154-165.8157.200112.1G237 K238 R245G237-E241 WeakPolarHBondContact O-CB 3.45Å; G237-E241 PolarHBondContact O-N 3.03Å; K238-E241 PolarHBondContact O-N 3.05Å; E241-R245 PolarHBondContact O-N 2.93Å; E241-R245 IonicContact OE1-CZ 3.16Å; E241-R245 IonicContact OE1-NH1 2.65Å; E241-R245 PolarHBondContact OE1-NH1 3.02Å; E241-R245 IonicContact OE1-NH2 2.78Å; E241-R245 PolarHBondContact OE1-NH2 2.71Å; E241-R245 IonicContact OE2-NH2 3.39Å; E241-R245 PolarHBondContact OE2-NH2 3.31Å
242N88.5Confident80.2Confident110 Ų11097.2 Ų97.259%0.58852%0.522SS*.Hα-helixtrans-71.8-42.2173.4-165.418.9000111.8K238 A239 L240 R245 S246K238-N242 VanDerWaalsContact O-CB 3.31Å; K238-N242 WeakPolarHBondContact O-CB 3.34Å; K238-N242 PolarHBondContact O-N 3.29Å; A239-N242 PolarHBondContact O-N 2.93Å; L240-N242 VanDerWaalsContact C-N 3.32Å; L240-N242 PolarHBondContact O-N 2.81Å; N242-R245 PolarHBondContact O-N 3.39Å; N242-S246 WeakPolarHBondContact O-CB 3.31Å; N242-S246 PolarHBondContact O-N 2.77Å
243L88Confident78.7Confident97 Ų9797.5 Ų97.551%0.50853%0.526SS..Hα-helixtrans-61.9-44.3173.4178.661.4000111.2A239 L240 R245 S246 I247A239-L243 WeakPolarHBondContact O-CB 3.47Å; A239-L243 PolarHBondContact O-N 3.16Å; L240-L243 PolarHBondContact O-N 3.12Å; L243-R245 PolarHBondContact O-N 2.78Å; L243-S246 WeakPolarHBondContact O-CB 3.42Å; L243-S246 PolarHBondContact O-N 3.05Å; L243-S246 VanDerWaalsContact O-N 3.13Å; L243-I247 HydrophobicContact CD1-CD1 4.04Å; L243-I247 HydrophobicContact CD1-CG1 4.25Å; L243-I247 HydrophobicContact CG-CD1 3.92Å; L243-I247 WeakPolarHBondContact O-CG1 3.38Å; L243-I247 PolarHBondContact O-N 2.82Å
244S85.4Confident77.4Confident75 Ų7599.8 Ų99.852%0.52453%0.533SS..Hα-helixtrans-59.2-44174.8173.60000111.9L240 I247 A248L240-S244 VanDerWaalsContact O-CB 3.32Å; L240-S244 WeakPolarHBondContact O-CB 3.23Å; L240-S244 PolarHBondContact O-N 2.82Å; S244-I247 PolarHBondContact O-N 3.48Å; S244-A248 WeakPolarHBondContact O-CB 3.35Å; S244-A248 PolarHBondContact O-N 3.31Å
245R82.3Confident75.9Confident129 Ų129101 Ų10149%0.48754%0.539SS..Hα-helixtrans-64.9-38.9172.3-80.5-170.9-87.5-954.8112.8E241 N242 L243 A248 I249E241-R245 PolarHBondContact O-N 2.93Å; E241-R245 IonicContact OE1-CZ 3.16Å; E241-R245 IonicContact OE1-NH1 2.65Å; E241-R245 PolarHBondContact OE1-NH1 3.02Å; E241-R245 IonicContact OE1-NH2 2.78Å; E241-R245 PolarHBondContact OE1-NH2 2.71Å; E241-R245 IonicContact OE2-NH2 3.39Å; E241-R245 PolarHBondContact OE2-NH2 3.31Å; N242-R245 PolarHBondContact O-N 3.39Å; L243-R245 PolarHBondContact O-N 2.78Å; R245-A248 PolarHBondContact O-N 3.3Å; R245-I249 WeakPolarHBondContact O-CD1 3.43Å; R245-I249 WeakPolarHBondContact O-CG1 3.21Å; R245-I249 PolarHBondContact O-N 2.87Å
246S78.3Confident74Confident61 Ų61102.4 Ų102.443%0.42755%0.547SS..Hα-helixtrans-63.9-43177-168.80000112N242 L243 I249 S250N242-S246 WeakPolarHBondContact O-CB 3.31Å; N242-S246 PolarHBondContact O-N 2.77Å; L243-S246 WeakPolarHBondContact O-CB 3.42Å; L243-S246 PolarHBondContact O-N 3.05Å; L243-S246 VanDerWaalsContact O-N 3.13Å; S246-I249 PolarHBondContact O-N 3.46Å; S246-S250 PolarHBondContact O-N 2.83Å; S246-S250 PolarHBondContact O-OG 3.36Å; S246-S250 VanDerWaalsContact O-OG 3.13Å
247I77Confident72Confident91 Ų9199.1 Ų99.147%0.46753%0.533SS..Hα-helixtrans-64.3-46.2176.9-67164.8000110.1L243 S244 I249 S250 D251L243-I247 HydrophobicContact CD1-CD1 4.04Å; L243-I247 HydrophobicContact CD1-CG1 4.25Å; L243-I247 HydrophobicContact CG-CD1 3.92Å; L243-I247 WeakPolarHBondContact O-CG1 3.38Å; L243-I247 PolarHBondContact O-N 2.82Å; S244-I247 PolarHBondContact O-N 3.48Å; I247-I249 PolarHBondContact O-N 3.49Å; I247-S250 PolarHBondContact O-N 3.13Å; I247-S250 VanDerWaalsContact O-N 3.09Å; I247-D251 PolarHBondContact O-N 2.83Å
248A71Confident70.4Confident63 Ų63102.3 Ų102.352%0.52154%0.544SS..Hα-helixtrans-61.3-27.8177.400000113.8S244 R245S244-A248 WeakPolarHBondContact O-CB 3.35Å; S244-A248 PolarHBondContact O-N 3.31Å; R245-A248 PolarHBondContact O-N 3.3Å
249I65.8Low68.3Low117 Ų11799.4 Ų99.460%0.655%0.547SS*.Hα-helixtrans-82.7-35.5174.5-65.9162.8000111R245 S246 I247 E252 L253R245-I249 WeakPolarHBondContact O-CD1 3.43Å; R245-I249 WeakPolarHBondContact O-CG1 3.21Å; R245-I249 PolarHBondContact O-N 2.87Å; S246-I249 PolarHBondContact O-N 3.46Å; I247-I249 PolarHBondContact O-N 3.49Å; I249-E252 PolarHBondContact O-N 3.32Å; I249-L253 PolarHBondContact O-N 2.92Å
250S58.8Low66Low60 Ų60105 Ų10542%0.4256%0.562SS.*Hα-helixtrans-63.8-38.5174.3-67.10000112.7S246 I247 E252 L253 D254S246-S250 PolarHBondContact O-N 2.83Å; S246-S250 PolarHBondContact O-OG 3.36Å; S246-S250 VanDerWaalsContact O-OG 3.13Å; I247-S250 PolarHBondContact O-N 3.13Å; I247-S250 VanDerWaalsContact O-N 3.09Å; S250-E252 PolarHBondContact O-N 3.16Å; S250-L253 PolarHBondContact O-N 3.13Å; S250-L253 VanDerWaalsContact O-N 3.09Å; S250-D254 PolarHBondContact O-N 3.05Å
251D58.4Low64.1Low100 Ų100106.3 Ų106.354%0.53557%0.569SS.*Hα-helixtrans-63-20175.1-81.23.5000113.6I247I247-D251 PolarHBondContact O-N 2.83Å
252E58.3Low62.4Low142 Ų142106.4 Ų106.466%0.66458%0.58SS**Hα-helixtrans-85.4-35.1173.6-166.2157.6-141.400111.4I249 S250 K255I249-E252 PolarHBondContact O-N 3.32Å; S250-E252 PolarHBondContact O-N 3.16Å; E252-K255 PolarHBondContact O-N 2.98Å
253L53.3Low60.5Low98 Ų98107 Ų10751%0.51359%0.593SS.*Hα-helixtrans-67.8-33.2174.9-169.865.6000112.5I249 S250 K255 E256 T257I249-L253 PolarHBondContact O-N 2.92Å; S250-L253 PolarHBondContact O-N 3.13Å; S250-L253 VanDerWaalsContact O-N 3.09Å; L253-K255 PolarHBondContact O-N 2.97Å; L253-K255 VanDerWaalsContact O-N 3.08Å; L253-E256 PolarHBondContact O-N 3.45Å; L253-T257 HydrophobicContact CG-CG2 4.15Å; L253-T257 PolarHBondContact O-N 2.83Å; L253-T257 VanDerWaalsContact O-N 3.09Å; L253-T257 PolarHBondContact O-OG1 3.1Å
254D52Low58.5Low109 Ų109110.4 Ų110.458%0.58361%0.61SS**THydrogen-bonded Turntrans-65.1-9.7177.2-94.5-3.2000114.4S250 T257 V258S250-D254 PolarHBondContact O-N 3.05Å; D254-T257 WeakPolarHBondContact CA-OG1 3.22Å; D254-T257 PolarHBondContact OD1-OG1 3.28Å; D254-V258 VanDerWaalsContact O-CG2 3.32Å; D254-V258 WeakPolarHBondContact O-CG2 3.33Å
255K57.2Low56.8Low165 Ų165115 Ų11572%0.71763%0.628SS**THydrogen-bonded Turntrans-87.1-22.8170.9-65170.3-1721650113E252 L253E252-K255 PolarHBondContact O-N 2.98Å; L253-K255 PolarHBondContact O-N 2.97Å; L253-K255 VanDerWaalsContact O-N 3.08Å
256E49.4Very low55.1Low152 Ų152119.8 Ų119.871%0.7165%0.646SS**THydrogen-bonded Turntrans-94.2-24.8177.7-62.7-170.515200112.1L253L253-E256 PolarHBondContact O-N 3.45Å
257T47.5Very low53.5Low59 Ų59122.7 Ų122.736%0.36266%0.663SS.*G310 helixtrans-80.7-10.8-179.855.80000115.2L253 D254 A259 F260L253-T257 HydrophobicContact CG-CG2 4.15Å; L253-T257 PolarHBondContact O-N 2.83Å; L253-T257 VanDerWaalsContact O-N 3.09Å; L253-T257 PolarHBondContact O-OG1 3.1Å; D254-T257 WeakPolarHBondContact CA-OG1 3.22Å; D254-T257 PolarHBondContact OD1-OG1 3.28Å; T257-A259 PolarHBondContact O-N 3.21Å; T257-F260 CarbonylContact O-C 3.55Å; T257-F260 PolarHBondContact O-N 2.9Å
258V54.2Low51.9Low104 Ų104129.8 Ų129.863%0.6368%0.684SS**G310 helixtrans-55.2-27.4176.8-171.90000112D254 N261D254-V258 VanDerWaalsContact O-CG2 3.32Å; D254-V258 WeakPolarHBondContact O-CG2 3.33Å; V258-N261 PolarHBondContact O-ND2 3.27Å
259A46.7Very low50.8Low86 Ų86131.7 Ų131.771%0.71169%0.689SS**G310 helixtrans-80.6-15.7176.200000115.1T257T257-A259 PolarHBondContact O-N 3.21Å
260F38.9Very low50Low177 Ų177134.3 Ų134.378%0.77670%0.702SS**  trans-120.262.2-178-84.2-80.3000112.3T257 S262T257-F260 CarbonylContact O-C 3.55Å; T257-F260 PolarHBondContact O-N 2.9Å; F260-S262 PolarHBondContact O-N 3.35Å
261N50.8Low49.4Very low144 Ų144133.7 Ų133.777%0.7771%0.705SS**  trans-68.988.1165.8-89.1-82.8000111.3V258V258-N261 PolarHBondContact O-ND2 3.27Å
262S49.1Very low48.7Very low95 Ų95137.4 Ų137.466%0.66472%0.719SS**SBendtrans-163.7123.4150.141.10000114F260F260-S262 PolarHBondContact O-N 3.35Å
263S48.8Very low48.2Very low124 Ų124141.1 Ų141.187%0.86773%0.727SS**  trans54.871.1153-58.60000119.2
264I45.7Very low48Very low168 Ų168143.1 Ų143.186%0.86274%0.737SS**  trans-114.9129.6147.6-65.2-178.8000109R266I264-R266 PolarHBondContact O-N 3.47Å
265L48.7Very low47.5Very low171 Ų171141.2 Ų141.290%0.89574%0.743SS**  trans-71.3113.6-167.3-65.9163.2000111.4
266R48Very low46.9Very low230 Ų230143.1 Ų143.187%0.86875%0.746SS**  trans-61.4143.1164.6-69.8-177.1178172.4-0.8109.7I264 R268I264-R266 PolarHBondContact O-N 3.47Å; R266-R268 PolarHBondContact O-N 3.02Å
267P43.2Very low46.9Very low121 Ų121142.4 Ų142.479%0.78674%0.743SS**  trans-55.8130.1170.9-22.533000110.3V269P267-V269 PolarHBondContact O-N 3.31Å
268R44.4Very low47.2Very low241 Ų241148.5 Ų148.591%0.90977%0.767SS**  trans-67.299.9173.9-85.2-174.9168.7-166-3.5109.6R266 I270R266-R268 PolarHBondContact O-N 3.02Å; R268-I270 PolarHBondContact O-N 2.96Å
269V47.6Very low47.2Very low102 Ų102149.6 Ų149.662%0.61877%0.769SS**  trans-72.4115.8157.2177.60000107P267 G271P267-V269 PolarHBondContact O-N 3.31Å; V269-G271 PolarHBondContact O-N 3.08Å
270I48.6Very low47.6Very low173 Ų173151 Ų15189%0.88777%0.765SS**  trans-82.698.8170.1-62.4175.5000106.5R268R268-I270 PolarHBondContact O-N 2.96Å
271G46.8Very low48.5Very low47 Ų47146.4 Ų146.449%0.48576%0.76SS.*SBendtrans167.9125.3-178.900000109.4V269 W273V269-G271 PolarHBondContact O-N 3.08Å; G271-W273 PolarHBondContact O-N 3.17Å
272E44.1Very low49.4Very low177 Ų177143.4 Ų143.483%0.82774%0.744SS**  trans-73.9106.4177.3-169.5173.6-168.500109I274E272-I274 HydrophobicContact CG-CG1 4.15Å; E272-I274 PolarHBondContact O-N 3.09Å
273W46.8Very low50.2Low220 Ų220143.9 Ų143.983%0.83375%0.745SS**  trans-74.683.4169.3-72.483.5000108.3G271 G275G271-W273 PolarHBondContact O-N 3.17Å; W273-G275 PolarHBondContact O-N 3.4Å; W273-G275 VanDerWaalsContact O-N 3.16Å
274I50.5Low50.5Low141 Ų141142.7 Ų142.772%0.72373%0.728SS**PPolyproline II helixtrans-55.3119.5170.4-71.2162.9000107.5E272 R276E272-I274 HydrophobicContact CG-CG1 4.15Å; E272-I274 PolarHBondContact O-N 3.09Å; I274-R276 PolarHBondContact O-N 2.87Å
275G40.5Very low51.4Low69 Ų69136.6 Ų136.671%0.71170%0.703SS**PPolyproline II helixtrans-60.6126.3-171.400000111.8W273W273-G275 PolarHBondContact O-N 3.4Å; W273-G275 VanDerWaalsContact O-N 3.16Å
276R44.2Very low52.1Low205 Ų205130.9 Ų130.977%0.77468%0.68SS**PPolyproline II helixtrans-78.9126.4148.6-165.1-162.8-53.2-961.8106I274 E278I274-R276 PolarHBondContact O-N 2.87Å; R276-E278 PolarHBondContact O-N 2.97Å
277E48.8Very low52.9Low137 Ų137126.3 Ų126.364%0.6467%0.669SS**PPolyproline II helixtrans-50.1128.6174.1179.6-178.6171.500111N279 D280E277-N279 HydrophobicContact CG-CB 4.13Å; E277-N279 PolarHBondContact O-N 2.85Å; E277-D280 PolarHBondContact O-N 2.91Å
278E54.3Low53.9Low186 Ų186127.9 Ų127.987%0.86967%0.667SS**THydrogen-bonded Turntrans-72.513.2-178.158.8-105.8159.800115R276R276-E278 PolarHBondContact O-N 2.97Å
279N54.5Low54.7Low127 Ų127123.5 Ų123.568%0.67966%0.661SS**THydrogen-bonded Turntrans-107.1-2.4174.4-73.2-78.6000114.4E277 A281E277-N279 HydrophobicContact CG-CB 4.13Å; E277-N279 PolarHBondContact O-N 2.85Å; N279-A281 PolarHBondContact O-N 3.18Å
280D54.5Low54.8Low115 Ų115124.4 Ų124.462%0.61566%0.659SS**  trans-84.865.8173.8-160.518.6000110.8E277 D282E277-D280 PolarHBondContact O-N 2.91Å; D280-D282 VanDerWaalsContact C-N 3.33Å; D280-D282 PolarHBondContact O-N 3.37Å
281A59Low54.8Low82 Ų82121 Ų12168%0.67865%0.648SS**  trans-73.887173.300000109.5N279 P283N279-A281 PolarHBondContact O-N 3.18Å; A281-P283 WeakPolarHBondContact O-CD 3.38Å
282D69.4Low55.1Low80 Ų80125 Ų12543%0.42867%0.665SS.*  trans-48.1113172.2173.17.7000109.5D280 L284 A285 A286D280-D282 VanDerWaalsContact C-N 3.33Å; D280-D282 PolarHBondContact O-N 3.37Å; D282-L284 PolarHBondContact O-N 3.15Å; D282-L284 WeakPolarHBondContact OD1-CB 3.36Å; D282-L284 PolarHBondContact OD1-N 2.89Å; D282-A285 HydrophobicContact CB-CB 3.81Å; D282-A285 WeakPolarHBondContact O-CB 3.41Å; D282-A285 PolarHBondContact O-N 3.3Å; D282-A286 PolarHBondContact O-N 3.06Å
283P65.3Low55.6Low106 Ų106122.6 Ų122.669%0.68866%0.657SS**Hα-helixtrans-63.7-26-174.425.1-33.8000111.7A281 E287A281-P283 WeakPolarHBondContact O-CD 3.38Å; P283-E287 PolarHBondContact O-N 3.44Å; P283-E287 VanDerWaalsContact O-N 3.09Å
284L55.3Low55.4Low98 Ų98117.4 Ų117.451%0.51365%0.651SS.*Hα-helixtrans-74.4-38174.8-175.764000111.6D282 A286 E287 M288D282-L284 PolarHBondContact O-N 3.15Å; D282-L284 WeakPolarHBondContact OD1-CB 3.36Å; D282-L284 PolarHBondContact OD1-N 2.89Å; L284-A286 VanDerWaalsContact C-N 3.32Å; L284-A286 PolarHBondContact O-N 3.21Å; L284-E287 PolarHBondContact O-N 3.05Å; L284-M288 HydrophobicContact CD1-CG 4.48Å; L284-M288 WeakPolarHBondContact O-CB 3.37Å; L284-M288 WeakPolarHBondContact O-CG 3.44Å; L284-M288 PolarHBondContact O-N 2.92Å
285A64Low55.2Low40 Ų40122.7 Ų122.733%0.33166%0.662SS.*Hα-helixtrans-64.8-38.1174.100000111.5D282 L289D282-A285 HydrophobicContact CB-CB 3.81Å; D282-A285 WeakPolarHBondContact O-CB 3.41Å; D282-A285 PolarHBondContact O-N 3.3Å; A285-L289 WeakPolarHBondContact O-CB 3.39Å; A285-L289 VanDerWaalsContact O-CG 3.23Å; A285-L289 WeakPolarHBondContact O-CG 3.35Å; A285-L289 PolarHBondContact O-N 3.01Å; A285-L289 VanDerWaalsContact O-N 3.08Å
286A64.4Low55.5Low51 Ų51124.7 Ų124.742%0.42167%0.665SS.*Hα-helixtrans-65-38.7173.300000112.5D282 L284 Q290D282-A286 PolarHBondContact O-N 3.06Å; L284-A286 VanDerWaalsContact C-N 3.32Å; L284-A286 PolarHBondContact O-N 3.21Å; A286-Q290 WeakPolarHBondContact O-CG 3.09Å; A286-Q290 PolarHBondContact O-N 3.29Å
287E63.9Low55.5Low135 Ų135124.8 Ų124.863%0.63167%0.671SS**Hα-helixtrans-67.6-45.5174.4-173.1178.3176.100112.1P283 L284 L289 Q290P283-E287 PolarHBondContact O-N 3.44Å; P283-E287 VanDerWaalsContact O-N 3.09Å; L284-E287 PolarHBondContact O-N 3.05Å; E287-L289 PolarHBondContact O-N 3.28Å; E287-Q290 PolarHBondContact O-N 3.22Å; E287-Q290 VanDerWaalsContact O-N 3.08Å
288M63.9Low54.8Low153 Ų153123.9 Ų123.975%0.75467%0.671SS**Hα-helixtrans-66.4-22.9178.8-72.4-165.672.600113.8L284L284-M288 HydrophobicContact CD1-CG 4.48Å; L284-M288 WeakPolarHBondContact O-CB 3.37Å; L284-M288 WeakPolarHBondContact O-CG 3.44Å; L284-M288 PolarHBondContact O-N 2.92Å
289L62.1Low54.1Low149 Ų149122.7 Ų122.778%0.7867%0.671SS**THydrogen-bonded Turntrans-90.6-7.1174.2-67.8173000113.4A285 E287 P291A285-L289 WeakPolarHBondContact O-CB 3.39Å; A285-L289 VanDerWaalsContact O-CG 3.23Å; A285-L289 WeakPolarHBondContact O-CG 3.35Å; A285-L289 PolarHBondContact O-N 3.01Å; A285-L289 VanDerWaalsContact O-N 3.08Å; E287-L289 PolarHBondContact O-N 3.28Å; L289-P291 WeakPolarHBondContact O-CD 3.44Å
290Q49.9Very low53.1Low121 Ų121123.6 Ų123.657%0.56567%0.671SS**SBendtrans-80.6122.1172.6-81.7-177.824.400111.2A286 E287A286-Q290 WeakPolarHBondContact O-CG 3.09Å; A286-Q290 PolarHBondContact O-N 3.29Å; E287-Q290 PolarHBondContact O-N 3.22Å; E287-Q290 VanDerWaalsContact O-N 3.08Å
291P49.1Very low52Low102 Ų102129.6 Ų129.666%0.66269%0.685SS**  trans-66148.717028.7-33.8000110.1L289 I293L289-P291 WeakPolarHBondContact O-CD 3.44Å; P291-I293 PolarHBondContact O-N 3.21Å
292P52.1Low50.8Low130 Ų130134.4 Ų134.484%0.84469%0.693SS**  trans-57.1109.2-174.7-26.234.3000112.8P294P292-P294 WeakPolarHBondContact O-CD 3.23Å
293I55.3Low48.9Very low128 Ų128136.1 Ų136.166%0.65671%0.712SS**  trans-70.6119177.9-55.7175.9000108.3P291 R295P291-I293 PolarHBondContact O-N 3.21Å; I293-R295 PolarHBondContact O-N 2.99Å; I293-R295 VanDerWaalsContact O-N 3.08Å
294P42.6Very low47.6Very low110 Ų110140.1 Ų140.171%0.71472%0.721SS**  trans-68112.5175.427.7-32.5000109P292 S296P292-P294 WeakPolarHBondContact O-CD 3.23Å; P294-S296 VanDerWaalsContact C-N 3.31Å; P294-S296 PolarHBondContact O-N 3.09Å
295R45.3Very low46.5Very low253 Ų253142.9 Ų142.996%0.95574%0.737SS**  trans-62.287.6174.4-78.8-178.4156129.2-2.9110.9I293 K297I293-R295 PolarHBondContact O-N 2.99Å; I293-R295 VanDerWaalsContact O-N 3.08Å; R295-K297 PolarHBondContact O-N 3.05Å
296S48.3Very low45Very low111 Ų111146.3 Ų146.378%0.77676%0.758SS**  trans-73.6112.2165.455.90000108.9P294 N298P294-S296 VanDerWaalsContact C-N 3.31Å; P294-S296 PolarHBondContact O-N 3.09Å; S296-N298 PolarHBondContact O-N 3.09Å; S296-N298 VanDerWaalsContact O-N 3.08Å
297K43.9Very low43.4Very low207 Ų207147.1 Ų147.190%0.977%0.771SS**  trans-66.799.9179.4-172.7177.3-174176.50110.6R295R295-K297 PolarHBondContact O-N 3.05Å
298N33.4Very low42Very low117 Ų117146.7 Ų146.763%0.62678%0.783SS**  trans-154.782.4164.2-164.642.9000113S296 Q300S296-N298 PolarHBondContact O-N 3.09Å; S296-N298 VanDerWaalsContact O-N 3.08Å; N298-Q300 VanDerWaalsContact C-N 3.32Å; N298-Q300 PolarHBondContact O-N 2.96Å; N298-Q300 VanDerWaalsContact O-N 3.13Å; N298-Q300 WeakPolarHBondContact OD1-CB 3.48Å
299D40.3Very low40.6Very low162 Ų162144.8 Ų144.887%0.86679%0.785SS**  trans-74.685.7158.3-71-76.6000109
300Q32.7Very low40.1Very low146 Ų146143.5 Ų143.568%0.68279%0.785SS**  trans-148.181.2175.4-168.7147.780.100113N298N298-Q300 VanDerWaalsContact C-N 3.32Å; N298-Q300 PolarHBondContact O-N 2.96Å; N298-Q300 VanDerWaalsContact O-N 3.13Å; N298-Q300 WeakPolarHBondContact OD1-CB 3.48Å
301W32.4Very low39.2Very low240 Ų240142.8 Ų142.891%0.90980%0.8SS**  trans52.6126.5139-64.120.6000118.9S303W301-S303 PolarHBondContact O-N 3.09Å
302E34.1Very low38.3Very low184 Ų184141.8 Ų141.886%0.8681%0.808SS**  trans-36.1127.6162.4-59.7-67.7129.200112.9
303S29.4Very low37.7Very low116 Ų116141.6 Ų141.681%0.81181%0.81SS**  trans-155.1106.4161.4-760000108.7W301 D305W301-S303 PolarHBondContact O-N 3.09Å; S303-D305 PolarHBondContact O-N 3.08Å
304E37.4Very low36.8Very low190 Ų190142.6 Ų142.689%0.88882%0.816SS**  trans-66.4115.2174.8-59165.195.700109.7
305D32.2Very low36.5Very low156 Ų156146.5 Ų146.583%0.83482%0.822SS**  trans-169.7162.5140.5-126.5-33.8000115.2S303S303-D305 PolarHBondContact O-N 3.08Å
306S32.1Very low36.2Very low111 Ų111143.8 Ų143.878%0.77682%0.822SS**  trans71.7111.1161.6-60.40000119.2
307G31.8Very low35.9Very low68 Ų68144.6 Ų144.670%0.70181%0.814SS**  trans-90.6-173.5173.200000115.8
308S32.9Very low35.7Very low126 Ų126139.5 Ų139.588%0.88180%0.802SS**  trans73115.9166.962.20000120.3
309S34.8Very low36.6Very low114 Ų114142.5 Ų142.580%0.79781%0.809SS**  trans-70.4177.8150.9-52.50000110.6
310P52.4Low37.1Very low121 Ų121140.1 Ų140.179%0.78680%0.797SS**  cis-144.4-169.612.243.5-23000117.2
311A30Very low38.2Very low106 Ų106140 Ų14088%0.87679%0.794SS**  trans81.3115.815400000120
312G31.3Very low39.7Very low81 Ų81130.7 Ų130.784%0.83577%0.772SS**  trans-178.287.2170.100000113
313S39.8Very low41.4Very low126 Ų126127.5 Ų127.588%0.88176%0.76SS**  trans-81.3117.8178.8177.80000111.9
314L36Very low43.8Very low150 Ų150129.3 Ų129.379%0.78575%0.754SS**  trans-158.4111.5163.4-139143.2000114.4
315K35.7Very low45.8Very low191 Ų191125.8 Ų125.883%0.8374%0.737SS**  trans37.9110.7159.2-58.8-178.9177.3-179.30119.2E317K315-E317 PolarHBondContact O-N 3.4Å
316M39.3Very low48.3Very low197 Ų197124.3 Ų124.397%0.9773%0.725SS**  trans-75.2118.8158-79.6-167.4165.700112
317E41.4Very low51Low128 Ų128125.8 Ų125.860%0.59872%0.72SS**  trans-83.2129.1154.5-175.1-157.5147.500108.4K315 K319 K321K315-E317 PolarHBondContact O-N 3.4Å; E317-K319 PolarHBondContact O-N 3.43Å; E317-K321 IonicContact OE1-NZ 2.6Å; E317-K321 PolarHBondContact OE1-NZ 3.08Å
318P41.1Very low53.7Low100 Ų100129 Ų12965%0.64972%0.717SS**  trans-71.298.6175.428.4-33.3000110.7N320P318-N320 PolarHBondContact O-N 3.07Å
319K51.1Low56.2Low179 Ų179128.8 Ų128.878%0.77870%0.702SS**  trans-74.148.5-178.3-159.9170.9-179.9176.30113.4E317 K321E317-K319 PolarHBondContact O-N 3.43Å; K319-K321 PolarHBondContact O-N 3.27Å
320N50.7Low58.6Low113 Ų113128.5 Ų128.560%0.60469%0.688SS**THydrogen-bonded Turntrans-7216.3179.6-76.9-26.3000114.8P318P318-N320 PolarHBondContact O-N 3.07Å
321K56.4Low60.6Low144 Ų144130.1 Ų130.163%0.62668%0.682SS**Hα-helixtrans-72.6-30.1-176.1-68.2161.8180159.10112.1E317 K319E317-K321 IonicContact OE1-NZ 2.6Å; E317-K321 PolarHBondContact OE1-NZ 3.08Å; K319-K321 PolarHBondContact O-N 3.27Å
322G63.5Low63.6Low43 Ų43132.8 Ų132.844%0.44367%0.674SS.*Hα-helixtrans-76.2-48.9178.900000114.5K324 Q325 Q326G322-K324 PolarHBondContact O-N 3.14Å; G322-Q325 WeakPolarHBondContact O-CB 3.29Å; G322-Q325 PolarHBondContact O-N 2.89Å; G322-Q326 PolarHBondContact O-N 3.22Å
323L70Confident66.3Low118 Ų118134 Ų13462%0.61866%0.661SS**Hα-helixtrans-61.3-41.9-173.1-176.164.6000112.8Q325 Q326 Q327L323-Q325 VanDerWaalsContact C-N 3.32Å; L323-Q325 PolarHBondContact O-N 2.98Å; L323-Q326 PolarHBondContact O-N 2.93Å; L323-Q327 WeakPolarHBondContact O-CB 3.37Å; L323-Q327 PolarHBondContact O-N 3.02Å
324K79.5Confident68.6Low154 Ų154131.9 Ų131.967%0.6764%0.639SS**Hα-helixtrans-66.5-35.3176.6-168.2174.2-178.2178.50111.9G322 Q328G322-K324 PolarHBondContact O-N 3.14Å; K324-Q328 VanDerWaalsContact O-CB 3.28Å; K324-Q328 WeakPolarHBondContact O-CB 3.43Å; K324-Q328 PolarHBondContact O-N 3.27Å
325Q80.8Confident71.1Confident116 Ų116127.1 Ų127.154%0.54262%0.622SS.*Hα-helixtrans-69.5-41.7175.5-171.2173.912.400111.5G322 L323 Q328 Q329G322-Q325 WeakPolarHBondContact O-CB 3.29Å; G322-Q325 PolarHBondContact O-N 2.89Å; L323-Q325 VanDerWaalsContact C-N 3.32Å; L323-Q325 PolarHBondContact O-N 2.98Å; Q325-Q328 PolarHBondContact O-N 3.36Å; Q325-Q329 WeakPolarHBondContact O-CB 3.3Å; Q325-Q329 WeakPolarHBondContact O-CG 3.25Å; Q325-Q329 PolarHBondContact O-N 3.04Å
326Q83.8Confident73.4Confident124 Ų124120.2 Ų120.258%0.57960%0.6SS**Hα-helixtrans-62-45.7174.2-171.9-172.411.500111.4G322 L323 Q328 Q329 H330G322-Q326 PolarHBondContact O-N 3.22Å; L323-Q326 PolarHBondContact O-N 2.93Å; Q326-Q328 VanDerWaalsContact C-N 3.29Å; Q326-Q328 PolarHBondContact O-N 3.29Å; Q326-Q329 PolarHBondContact O-N 3.43Å; Q326-H330 WeakPolarHBondContact O-CB 3.46Å; Q326-H330 PolarHBondContact O-N 3.03Å
327Q88Confident75.3Confident143 Ų143116 Ų11667%0.66858%0.579SS**Hα-helixtrans-62.5-37.1175.6-170.2179.858.400111.7L323 K331L323-Q327 WeakPolarHBondContact O-CB 3.37Å; L323-Q327 PolarHBondContact O-N 3.02Å; Q327-K331 VanDerWaalsContact O-CB 3.29Å; Q327-K331 WeakPolarHBondContact O-CB 3.32Å; Q327-K331 PolarHBondContact O-N 2.87Å
328Q88.9Confident77Confident136 Ų136115.8 Ų115.864%0.63658%0.582SS**Hα-helixtrans-73.1-34.5177.1-164.8170.39.300112.6K324 Q325 Q326 K332K324-Q328 VanDerWaalsContact O-CB 3.28Å; K324-Q328 WeakPolarHBondContact O-CB 3.43Å; K324-Q328 PolarHBondContact O-N 3.27Å; Q325-Q328 PolarHBondContact O-N 3.36Å; Q326-Q328 VanDerWaalsContact C-N 3.29Å; Q326-Q328 PolarHBondContact O-N 3.29Å; Q328-K332 WeakPolarHBondContact O-CB 3.43Å; Q328-K332 PolarHBondContact O-N 3.34Å
329Q85.9Confident78.3Confident121 Ų121115 Ų11557%0.56558%0.579SS**Hα-helixtrans-66.7-46.1170.8-77.2174.7-22.200111.6Q325 Q326 K332 L333Q325-Q329 WeakPolarHBondContact O-CB 3.3Å; Q325-Q329 WeakPolarHBondContact O-CG 3.25Å; Q325-Q329 PolarHBondContact O-N 3.04Å; Q326-Q329 PolarHBondContact O-N 3.43Å; Q329-K332 WeakPolarHBondContact O-CB 3.43Å; Q329-K332 PolarHBondContact O-N 3.09Å; Q329-K332 VanDerWaalsContact O-N 3.11Å; Q329-L333 PolarHBondContact O-N 3.22Å
330H86.1Confident78.5Confident108 Ų108113.9 Ų113.950%0.558%0.576SS.*Hα-helixtrans-61.8-44.5175.7179.964.9000111.6Q326 K332 L333 L334Q326-H330 WeakPolarHBondContact O-CB 3.46Å; Q326-H330 PolarHBondContact O-N 3.03Å; H330-K332 VanDerWaalsContact C-N 3.28Å; H330-K332 PolarHBondContact O-N 3.41Å; H330-L333 PolarHBondContact O-N 3.37Å; H330-L334 WeakPolarHBondContact O-CG 3.5Å; H330-L334 PolarHBondContact O-N 2.98Å
331K94Very high78.8Confident155 Ų155115.2 Ų115.267%0.67458%0.583SS**Hα-helixtrans-59.3-37.7172-177.3175.1178.9176.70112.4Q327 A335Q327-K331 VanDerWaalsContact O-CB 3.29Å; Q327-K331 WeakPolarHBondContact O-CB 3.32Å; Q327-K331 PolarHBondContact O-N 2.87Å; K331-A335 WeakPolarHBondContact O-CB 3.41Å; K331-A335 PolarHBondContact O-N 2.82Å
332K91.6Very high78.6Confident162 Ų162112.2 Ų112.270%0.70458%0.581SS**Hα-helixtrans-68.5-39176.1-172.5-179.1177.7-1740111.8Q328 Q329 H330 A335 A336Q328-K332 WeakPolarHBondContact O-CB 3.43Å; Q328-K332 PolarHBondContact O-N 3.34Å; Q329-K332 WeakPolarHBondContact O-CB 3.43Å; Q329-K332 PolarHBondContact O-N 3.09Å; Q329-K332 VanDerWaalsContact O-N 3.11Å; H330-K332 VanDerWaalsContact C-N 3.28Å; H330-K332 PolarHBondContact O-N 3.41Å; K332-A335 PolarHBondContact O-N 3.1Å; K332-A336 WeakPolarHBondContact O-CB 3.36Å; K332-A336 PolarHBondContact O-N 2.75Å
333L89.2Confident77.4Confident107 Ų107119 Ų11956%0.5660%0.598SS**Hα-helixtrans-63.3-49175.7-179.564000111.4Q329 H330 A335 A336 M337Q329-L333 PolarHBondContact O-N 3.22Å; H330-L333 PolarHBondContact O-N 3.37Å; L333-A335 VanDerWaalsContact C-N 3.31Å; L333-A335 PolarHBondContact O-N 3.05Å; L333-A336 PolarHBondContact O-N 2.79Å; L333-M337 PolarHBondContact O-N 3.26Å
334L88.9Confident76.2Confident80 Ų80122.9 Ų122.942%0.41961%0.613SS.*Hα-helixtrans-58.2-43.3175.2-69.3174.7000111.9H330 A336 M337 L338H330-L334 WeakPolarHBondContact O-CG 3.5Å; H330-L334 PolarHBondContact O-N 2.98Å; L334-A336 VanDerWaalsContact C-N 3.3Å; L334-A336 PolarHBondContact O-N 2.82Å; L334-M337 PolarHBondContact O-N 3.31Å; L334-L338 WeakPolarHBondContact O-CB 3.38Å; L334-L338 VanDerWaalsContact O-CG 3.28Å; L334-L338 WeakPolarHBondContact O-CG 3.44Å; L334-L338 PolarHBondContact O-N 3.01Å
335A86.9Confident74.4Confident51 Ų51119.6 Ų119.642%0.42161%0.61SS.*Hα-helixtrans-63.7-34.9175.700000112.6K331 K332 L333 S339K331-A335 WeakPolarHBondContact O-CB 3.41Å; K331-A335 PolarHBondContact O-N 2.82Å; K332-A335 PolarHBondContact O-N 3.1Å; L333-A335 VanDerWaalsContact C-N 3.31Å; L333-A335 PolarHBondContact O-N 3.05Å; A335-S339 WeakPolarHBondContact O-CB 3.48Å; A335-S339 PolarHBondContact O-N 2.91Å; A335-S339 PolarHBondContact O-OG 2.76Å
336A84.9Confident72.5Confident46 Ų46120.5 Ų120.538%0.3862%0.617SS.*Hα-helixtrans-74.1-33.5178.800000113K332 L333 L334 Q340K332-A336 WeakPolarHBondContact O-CB 3.36Å; K332-A336 PolarHBondContact O-N 2.75Å; L333-A336 PolarHBondContact O-N 2.79Å; L334-A336 VanDerWaalsContact C-N 3.3Å; L334-A336 PolarHBondContact O-N 2.82Å; A336-Q340 PolarHBondContact O-N 3.03Å; A336-Q340 PolarHBondContact O-NE2 2.9Å
337M78.4Confident70.4Confident108 Ų108122.5 Ų122.553%0.53263%0.626SS.*Hα-helixtrans-63.7-54168.5-71.117663.600110.4L333 L334 S339 Q340L333-M337 PolarHBondContact O-N 3.26Å; L334-M337 PolarHBondContact O-N 3.31Å; M337-S339 PolarHBondContact O-N 3.45Å; M337-Q340 PolarHBondContact O-N 3.34Å
338L76.6Confident67.6Low124 Ų124121 Ų12165%0.64963%0.631SS**Hα-helixtrans-64.1-14.5179.8-65.3170.4000114.6L334L334-L338 WeakPolarHBondContact O-CB 3.38Å; L334-L338 VanDerWaalsContact O-CG 3.28Å; L334-L338 WeakPolarHBondContact O-CG 3.44Å; L334-L338 PolarHBondContact O-N 3.01Å
339S68.6Low65.3Low83 Ų83120.4 Ų120.458%0.5864%0.639SS**THydrogen-bonded Turntrans-90.6-11.7173.8-55.90000113.3A335 M337A335-S339 WeakPolarHBondContact O-CB 3.48Å; A335-S339 PolarHBondContact O-N 2.91Å; A335-S339 PolarHBondContact O-OG 2.76Å; M337-S339 PolarHBondContact O-N 3.45Å
340Q56.6Low62.7Low155 Ų155120.9 Ų120.972%0.72465%0.651SS**THydrogen-bonded Turntrans-85.2-28.7171.3-77.4163.994.100111.2A336 M337 S342A336-Q340 PolarHBondContact O-N 3.03Å; A336-Q340 PolarHBondContact O-NE2 2.9Å; M337-Q340 PolarHBondContact O-N 3.34Å; Q340-S342 PolarHBondContact O-N 2.89Å
341D56Low60.5Low142 Ų142121.2 Ų121.276%0.75966%0.662SS**SBendtrans-8312.3173.6-55.3-39.8000113.4
342S51.7Low57.6Low81 Ų81118.8 Ų118.857%0.56667%0.665SS**SBendtrans-131106.1-176.1-152.60000111.5Q340Q340-S342 PolarHBondContact O-N 2.89Å
343F39.9Very low55Low185 Ų185116.7 Ų116.781%0.81167%0.665SS**  trans85.762.2172-114.8-81.7000118.2
344E44.2Very low52.8Low199 Ų199116.5 Ų116.593%0.9367%0.668SS**  trans-118.684.3146.6-15577.9-117.700108.3
345S41.8Very low50.7Low86 Ų86119.9 Ų119.960%0.60168%0.682SS**  trans-153.6132.9178.6-157.50000111.2
346I41Very low49Very low135 Ų135125.6 Ų125.669%0.69270%0.7SS**SBendtrans88.172.6164.3-43.9-168.5000117.7
347H38.9Very low47.5Very low165 Ų165129.8 Ų129.876%0.76472%0.716SS**  94.9111.6125.8-57.3-31.3000125.5
348S30Very low46.1Very low113 Ų113132.3 Ų132.379%0.7973%0.73SS**  75.1154.6128.674.60000120.9
349P40Very low45.3Very low122 Ų122133.8 Ų133.879%0.79274%0.739SS**  cis-126.6167.31240.9-25.1000117.7
350T31.6Very low45Very low132 Ų132136 Ų13681%0.8174%0.744SS**  trans-75160.7-176.552.40000115.1
351P39.5Very low45.2Very low114 Ų114137.3 Ų137.374%0.7475%0.75SS**  -145.2143.187.736.7-19.9000117.8
352S33.6Very low45.4Very low104 Ų104137.7 Ų137.773%0.72775%0.752SS**  trans55.2125147.5680000119.6
353V36Very low45.9Very low119 Ų119141 Ų14172%0.72176%0.763SS**  -170133.466.8152.50000110.3
354T43Very low47Very low102 Ų102135.6 Ų135.663%0.62675%0.753SS**  trans49.1125.2162.3610000119.8
355E46.2Very low47.6Very low151 Ų151134 Ų13471%0.70675%0.748SS**  49.4132.890.7-24.8-43.7128.300112.8
356E49.6Very low48.5Very low171 Ų171138 Ų13880%0.79976%0.757SS**  cis-142.8164.215.9-68.682.9-161.700113.8
357D54Low49.3Very low135 Ų135139.1 Ų139.172%0.72276%0.764SS**  trans68.680.9147.6-156.517.2000121.4
358I49.9Very low50.7Low160 Ų160138.4 Ų138.482%0.82177%0.765SS**  trans-136.770.5134.8-49178.9000107.9N360I358-N360 VanDerWaalsContact C-N 3.28Å; I358-N360 HydrophobicContact CG2-CB 4.28Å; I358-N360 PolarHBondContact O-N 3.48Å
359D60.3Low52.7Low156 Ų156139.9 Ų139.983%0.83476%0.759SS**  trans-71.587.6166-83.2-10.4000108.8
360N62Low54.6Low129 Ų129139.1 Ų139.169%0.6975%0.748SS**  trans-139.140.4169.6-151.5122000110.9I358 D362I358-N360 VanDerWaalsContact C-N 3.28Å; I358-N360 HydrophobicContact CG2-CB 4.28Å; I358-N360 PolarHBondContact O-N 3.48Å; N360-D362 PolarHBondContact O-N 2.77Å
361E59.5Low56.8Low183 Ų183138.9 Ų138.986%0.85574%0.742SS**  trans-64.9120.6167.8-66.3-157.3160.500110.2D363E361-D363 PolarHBondContact O-N 3Å; E361-D363 VanDerWaalsContact O-N 3.1Å
362D61.3Low58.8Low149 Ų149136.9 Ų136.980%0.79773%0.725SS**  trans29.565.4156.2-70.5-28.3000118.2N360 A364N360-D362 PolarHBondContact O-N 2.77Å; D362-A364 PolarHBondContact O-N 3.35Å
363D62.7Low61.2Low150 Ų150135.8 Ų135.880%0.80271%0.711SS**  trans-67.936.7153.2-96.2-22.4000111.9E361 M365E361-D363 PolarHBondContact O-N 3Å; E361-D363 VanDerWaalsContact O-N 3.1Å; D363-M365 VanDerWaalsContact C-N 3.26Å; D363-M365 PolarHBondContact O-N 2.95Å
364A61Low63.3Low73 Ų73131.5 Ų131.560%0.60368%0.683SS**  trans-74.682.4166.900000108.2D362 E366D362-A364 PolarHBondContact O-N 3.35Å; A364-E366 PolarHBondContact O-N 3.42Å
365M57.9Low65.2Low165 Ų165134.3 Ų134.381%0.81368%0.683SS**  trans-56.4101.5170-69.5-166.9-64.800109.5D363 L367D363-M365 VanDerWaalsContact C-N 3.26Å; D363-M365 PolarHBondContact O-N 2.95Å; M365-L367 PolarHBondContact O-N 3.34Å
366E60.8Low66.7Low169 Ų169134.2 Ų134.279%0.7968%0.684SS**  trans-65.198.5168.1-72-165.9152.300108.2A364 L368A364-E366 PolarHBondContact O-N 3.42Å; E366-L368 PolarHBondContact O-N 2.88Å
367L57.4Low68.3Low159 Ų159133.3 Ų133.383%0.83268%0.68SS**  trans-65.785.6167-68.9173.7000108.6M365 E369M365-L367 PolarHBondContact O-N 3.34Å; L367-E369 PolarHBondContact O-N 3.19Å
368L69.3Low69.3Low150 Ų150129 Ų12979%0.78567%0.668SS**  trans-64.7100.7162.6-82.7151.3000107.6E366 D370E366-L368 PolarHBondContact O-N 2.88Å; L368-D370 PolarHBondContact O-N 3.12Å
369E70.4Confident70.6Confident144 Ų144124.1 Ų124.167%0.67365%0.645SS**  trans-51.5125.6175.6-67.1166.3169.400110.1L367 L371 L374L367-E369 PolarHBondContact O-N 3.19Å; E369-L371 PolarHBondContact O-N 3.01Å; E369-L374 HydrophobicContact CB-CD1 4.02Å; E369-L374 HydrophobicContact CB-CD2 4.4Å; E369-L374 HydrophobicContact CB-CG 4.1Å
370D80.4Confident70.9Confident106 Ų106122.8 Ų122.857%0.56764%0.643SS**  trans-63.3136.6-174.7-98.6-30.9000110.9L368 N372 D373 L374L368-D370 PolarHBondContact O-N 3.12Å; D370-N372 PolarHBondContact O-N 3.35Å; D370-D373 HydrophobicContact CB-CB 4.29Å; D370-D373 PolarHBondContact O-N 2.77Å; D370-L374 PolarHBondContact O-N 3.4Å
371L78.8Confident70.9Confident128 Ų128122.5 Ų122.567%0.6765%0.646SS**Hα-helixtrans-61.1-20.4176.4-66.9177.2000112.6E369 R375 L382E369-L371 PolarHBondContact O-N 3.01Å; L371-R375 VanDerWaalsContact O-CB 3.3Å; L371-R375 WeakPolarHBondContact O-CB 3.33Å; L371-R375 PolarHBondContact O-N 3.29Å; L371-L382 HydrophobicContact CD2-CD1 3.82Å
372N79.8Confident70.8Confident72 Ų72118 Ų11839%0.38563%0.627SS.*Hα-helixtrans-70.5-45.7169.6177.971.4000111.7D370 R375 M376D370-N372 PolarHBondContact O-N 3.35Å; N372-R375 CarbonylContact O-C 3.52Å; N372-R375 WeakPolarHBondContact O-CA 3.39Å; N372-R375 WeakPolarHBondContact O-CB 3.42Å; N372-R375 PolarHBondContact O-N 3.28Å; N372-R375 VanDerWaalsContact O-N 3.15Å; N372-R375 PolarHBondContact OD1-NH2 3.27Å; N372-M376 WeakPolarHBondContact O-CG 3.4Å; N372-M376 PolarHBondContact O-N 3.09Å
373D85.6Confident70.8Confident81 Ų81116.9 Ų116.943%0.43363%0.625SS.*Hα-helixtrans-73.9-43.1-172.2-64.5-1.3000110.1D370 R375 M376 E377D370-D373 HydrophobicContact CB-CB 4.29Å; D370-D373 PolarHBondContact O-N 2.77Å; D373-R375 PolarHBondContact O-N 3.08Å; D373-M376 CarbonylContact O-C 3.59Å; D373-M376 WeakPolarHBondContact O-CA 3.25Å; D373-M376 WeakPolarHBondContact O-CB 3.36Å; D373-M376 PolarHBondContact O-N 3.04Å; D373-E377 WeakPolarHBondContact O-CG 3.31Å; D373-E377 PolarHBondContact O-N 3.5Å
374L78.6Confident70.6Confident28 Ų28115.8 Ų115.815%0.14763%0.626CS.*Hα-helixtrans-55.8-34.2168.5-71.2169.2000112.6E369 D370 G378 V379 L382E369-L374 HydrophobicContact CB-CD1 4.02Å; E369-L374 HydrophobicContact CB-CD2 4.4Å; E369-L374 HydrophobicContact CB-CG 4.1Å; D370-L374 PolarHBondContact O-N 3.4Å; L374-G378 PolarHBondContact O-N 3.08Å; L374-V379 HydrophobicContact CB-CB 4.39Å; L374-V379 HydrophobicContact CB-CG2 4.49Å; L374-V379 HydrophobicContact CD2-CG2 4.3Å; L374-V379 WeakPolarHBondContact O-CA 3.38Å; L374-V379 WeakPolarHBondContact O-CB 3.46Å; L374-V379 WeakPolarHBondContact O-CG2 3.33Å; L374-V379 PolarHBondContact O-N 2.98Å; L374-L382 HydrophobicContact CB-CD1 4.33Å; L374-L382 HydrophobicContact CD1-CD1 4.1Å
375R84Confident70.1Confident162 Ų162117.6 Ų117.661%0.61164%0.635SS**Hα-helixtrans-72.3-38.2174173.8-178.167.3-160.33.5111.9L371 N372 D373 E377 G378L371-R375 VanDerWaalsContact O-CB 3.3Å; L371-R375 WeakPolarHBondContact O-CB 3.33Å; L371-R375 PolarHBondContact O-N 3.29Å; N372-R375 CarbonylContact O-C 3.52Å; N372-R375 WeakPolarHBondContact O-CA 3.39Å; N372-R375 WeakPolarHBondContact O-CB 3.42Å; N372-R375 PolarHBondContact O-N 3.28Å; N372-R375 VanDerWaalsContact O-N 3.15Å; N372-R375 PolarHBondContact OD1-NH2 3.27Å; D373-R375 PolarHBondContact O-N 3.08Å; R375-E377 VanDerWaalsContact C-N 3.29Å; R375-G378 PolarHBondContact O-N 2.85Å; R375-G378 VanDerWaalsContact O-N 3.08Å
376M78.2Confident69.7Low149 Ų149113.2 Ų113.273%0.73463%0.631SS**Hα-helixtrans-68-29.2174.2-66.1-58-68.500112.2N372 D373 G378N372-M376 WeakPolarHBondContact O-CG 3.4Å; N372-M376 PolarHBondContact O-N 3.09Å; D373-M376 CarbonylContact O-C 3.59Å; D373-M376 WeakPolarHBondContact O-CA 3.25Å; D373-M376 WeakPolarHBondContact O-CB 3.36Å; D373-M376 PolarHBondContact O-N 3.04Å; M376-G378 PolarHBondContact O-N 3.18Å
377E81.8Confident68.8Low151 Ų151110.5 Ų110.571%0.70663%0.631SS**THydrogen-bonded Turntrans-76.50169.7-67.6-177.2178.800113.8D373 R375D373-E377 WeakPolarHBondContact O-CG 3.31Å; D373-E377 PolarHBondContact O-N 3.5Å; R375-E377 VanDerWaalsContact C-N 3.29Å
378G76.6Confident68.8Low46 Ų46112.4 Ų112.447%0.47463%0.633SS.*THydrogen-bonded Turntrans8512.8175.200000115.3L374 R375 M376 T380L374-G378 PolarHBondContact O-N 3.08Å; R375-G378 PolarHBondContact O-N 2.85Å; R375-G378 VanDerWaalsContact O-N 3.08Å; M376-G378 PolarHBondContact O-N 3.18Å; G378-T380 VanDerWaalsContact C-N 3.31Å; G378-T380 PolarHBondContact O-N 3.17Å
379V75.9Confident67.3Low56 Ų56114.3 Ų114.334%0.33964%0.635SS.*  trans-73.983.2175.7-169.50000110.2L374 L382L374-V379 HydrophobicContact CB-CB 4.39Å; L374-V379 HydrophobicContact CB-CG2 4.49Å; L374-V379 HydrophobicContact CD2-CG2 4.3Å; L374-V379 WeakPolarHBondContact O-CA 3.38Å; L374-V379 WeakPolarHBondContact O-CB 3.46Å; L374-V379 WeakPolarHBondContact O-CG2 3.33Å; L374-V379 PolarHBondContact O-N 2.98Å; V379-L382 HydrophobicContact CG1-CD1 4.38Å; V379-L382 HydrophobicContact CG1-CD2 4.2Å; V379-L382 HydrophobicContact CG1-CG 3.95Å
380T67.8Low65.9Low129 Ų129113.9 Ų113.979%0.79164%0.637SS**  trans-83.5-7.6-174.749.50000115G378G378-T380 VanDerWaalsContact C-N 3.31Å; G378-T380 PolarHBondContact O-N 3.17Å
381T60.9Low64.5Low122 Ų122118.4 Ų118.475%0.74866%0.655SS**  trans-116.645.5-17465.10000113.7
382L58.5Low62.6Low89 Ų89115.5 Ų115.547%0.46666%0.656SS.*  trans-86.6107.6163.1-65176.3000109L371 L374 V379 P384L371-L382 HydrophobicContact CD2-CD1 3.82Å; L374-L382 HydrophobicContact CB-CD1 4.33Å; L374-L382 HydrophobicContact CD1-CD1 4.1Å; V379-L382 HydrophobicContact CG1-CD1 4.38Å; V379-L382 HydrophobicContact CG1-CD2 4.2Å; V379-L382 HydrophobicContact CG1-CG 3.95Å; L382-P384 WeakPolarHBondContact O-CD 3.29Å
383V60.2Low61Low125 Ų125121.2 Ų121.276%0.75867%0.672SS**  trans-67.5127.3163.6177.90000107S385V383-S385 VanDerWaalsContact C-N 3.28Å; V383-S385 PolarHBondContact O-N 3.48Å
384P59.1Low58.7Low127 Ų127122.1 Ų122.183%0.82568%0.682SS**  trans-6587.9174.6-21.634.2000110.5L382 G386L382-P384 WeakPolarHBondContact O-CD 3.29Å; P384-G386 PolarHBondContact O-N 3.06Å
385S50.5Low57Low112 Ų112125.2 Ų125.278%0.78370%0.702SS**  trans-78.271.4-179.2-177.70000109.9V383 S387V383-S385 VanDerWaalsContact C-N 3.28Å; V383-S385 PolarHBondContact O-N 3.48Å; S385-S387 PolarHBondContact O-N 3.03Å
386G48.8Very low54.8Low72 Ų72127 Ų12774%0.74271%0.711SS**  trans-65.889.1-17900000112.9P384 K388P384-G386 PolarHBondContact O-N 3.06Å; G386-K388 PolarHBondContact O-N 3.26Å
387S43.2Very low53Low112 Ų112125.5 Ų125.578%0.78371%0.712SS**  trans-74.4113.9154.9-173.50000107.9S385 F389S385-S387 PolarHBondContact O-N 3.03Å; S387-F389 VanDerWaalsContact C-N 3.26Å; S387-F389 PolarHBondContact O-N 2.77Å
388K55.7Low51.3Low200 Ų200122.9 Ų122.987%0.8772%0.716SS**  trans-74.282.2172.6-70.8-168.4176.7-171.90109.5G386G386-K388 PolarHBondContact O-N 3.26Å
389F39.4Very low49.6Very low190 Ų190128.2 Ų128.283%0.83373%0.729SS**  trans-69.7131.5162.4-168.3-108.9000108.7S387S387-F389 VanDerWaalsContact C-N 3.26Å; S387-F389 PolarHBondContact O-N 2.77Å
390N41.3Very low48.2Very low134 Ų134131.3 Ų131.372%0.71775%0.75SS**  trans-71.2143.5-177.5-67-76.3000109.8G392N390-G392 PolarHBondContact O-N 2.6Å
391Q50.1Low47.1Very low202 Ų202133.2 Ų133.294%0.94475%0.75SS**  trans-68.578.1169.8-75.5179.1-20.900110.5R393Q391-R393 VanDerWaalsContact C-N 3.32Å; Q391-R393 PolarHBondContact O-N 3.47Å; Q391-R393 VanDerWaalsContact O-N 3.12Å
392G39.1Very low46.7Very low66 Ų66131.4 Ų131.468%0.6875%0.747SS**  trans-7782.4165.300000109.6N390 P394N390-G392 PolarHBondContact O-N 2.6Å; G392-P394 VanDerWaalsContact O-CD 3.23Å; G392-P394 WeakPolarHBondContact O-CD 3.28Å
393R45.9Very low46.5Very low192 Ų192135.9 Ų135.973%0.72576%0.763SS**  trans-53.8115.2177.1178.5-169.3-126.8-90.30.5111.8Q391 T395Q391-R393 VanDerWaalsContact C-N 3.32Å; Q391-R393 PolarHBondContact O-N 3.47Å; Q391-R393 VanDerWaalsContact O-N 3.12Å; R393-T395 WeakPolarHBondContact CD-OG1 3.45Å; R393-T395 PolarHBondContact NH1-OG1 2.96Å; R393-T395 PolarHBondContact O-N 2.97Å
394P37Very low46.2Very low101 Ų101135.2 Ų135.266%0.65676%0.759SS**  trans-75.4111.4149.1415.9000106.1G392 Y396G392-P394 VanDerWaalsContact O-CD 3.23Å; G392-P394 WeakPolarHBondContact O-CD 3.28Å; P394-Y396 VanDerWaalsContact C-N 3.35Å; P394-Y396 PolarHBondContact O-N 3.48Å; P394-Y396 VanDerWaalsContact O-N 3.09Å
395T43.3Very low46.2Very low92 Ų92133.9 Ų133.956%0.56475%0.749SS**  trans-74.498.3164.3-60.40000106.2R393R393-T395 WeakPolarHBondContact CD-OG1 3.45Å; R393-T395 PolarHBondContact NH1-OG1 2.96Å; R393-T395 PolarHBondContact O-N 2.97Å
396Y38.6Very low46.9Very low200 Ų200133.5 Ų133.578%0.78474%0.737SS**PPolyproline II helixtrans-51129.9158.8-74.1-89000107.4P394 A398P394-Y396 VanDerWaalsContact C-N 3.35Å; P394-Y396 PolarHBondContact O-N 3.48Å; P394-Y396 VanDerWaalsContact O-N 3.09Å; Y396-A398 PolarHBondContact O-N 3.45Å
397P40.2Very low47.7Very low118 Ų118134.9 Ų134.977%0.76673%0.728SS**PPolyproline II helixtrans-57.8132.8166.426.7-32.2000107E399P397-E399 PolarHBondContact O-N 3.2Å
398A45Very low49.2Very low96 Ų96134.9 Ų134.979%0.79372%0.718SS**PPolyproline II helixtrans-60.1117.6179.100000108.7Y396Y396-A398 PolarHBondContact O-N 3.45Å
399E40.9Very low50.2Low158 Ų158127 Ų12774%0.73869%0.688SS**PPolyproline II helixtrans-48.1128.6164.1-176.4-177.3-179.100108.1P397 Q401P397-E399 PolarHBondContact O-N 3.2Å; E399-Q401 VanDerWaalsContact C-N 3.25Å; E399-Q401 PolarHBondContact O-N 2.97Å
400P46.8Very low51.7Low120 Ų120123.9 Ų123.978%0.77969%0.689SS**  trans-70.788.4-178.828.9-33.7000108.7A402P400-A402 PolarHBondContact O-N 3Å
401Q43.8Very low52.8Low170 Ų170128 Ų12879%0.79469%0.694SS**  trans-63.187.9169.6-68.7-171.40.300108.4E399 K403E399-Q401 VanDerWaalsContact C-N 3.25Å; E399-Q401 PolarHBondContact O-N 2.97Å; Q401-K403 PolarHBondContact O-N 3.29Å
402A53.9Low54.1Low84 Ų84120.7 Ų120.769%0.69467%0.665SS**  trans-64.985.9170.400000107.9P400 V404P400-A402 PolarHBondContact O-N 3Å; A402-V404 PolarHBondContact O-N 3.03Å
403K52.8Low55.6Low182 Ų182121.3 Ų121.379%0.79166%0.664SS**  trans-72.679.8179.3-170.2-179.5-179.1177.80109.1Q401 T405Q401-K403 PolarHBondContact O-N 3.29Å; K403-T405 VanDerWaalsContact C-N 3.33Å; K403-T405 HydrophobicContact CG-CG2 4.27Å; K403-T405 PolarHBondContact O-N 3.05Å
404V54Low56.8Low111 Ų111120 Ų12067%0.67366%0.659SS**  trans-69.390.9174.6-170.70000108.5A402 L406A402-V404 PolarHBondContact O-N 3.03Å; V404-L406 HydrophobicContact CG1-CD2 3.6Å; V404-L406 HydrophobicContact CG1-CG 3.88Å; V404-L406 PolarHBondContact O-N 2.63Å
405T60Low58.1Low99 Ų99120.4 Ų120.461%0.60766%0.655SS**  trans-74.1103.3170.749.90000108.9K403K403-T405 VanDerWaalsContact C-N 3.33Å; K403-T405 HydrophobicContact CG-CG2 4.27Å; K403-T405 PolarHBondContact O-N 3.05Å
406L64.6Low58.9Low104 Ų104121.3 Ų121.355%0.54565%0.653SS.*  trans-91.1117.2177.5-67.5179.2000110.6V404 I408 L415V404-L406 HydrophobicContact CG1-CD2 3.6Å; V404-L406 HydrophobicContact CG1-CG 3.88Å; V404-L406 PolarHBondContact O-N 2.63Å; L406-I408 PolarHBondContact O-N 2.92Å; L406-L415 HydrophobicContact CB-CD2 3.7Å; L406-L415 HydrophobicContact CD1-CD2 3.91Å; L406-L415 HydrophobicContact CD2-CD2 4.23Å; L406-L415 HydrophobicContact CG-CD2 4.15Å
407N67.1Low59.3Low102 Ų102114.9 Ų114.955%0.54565%0.647SS.*EExtended strand (participates in β ladder)trans-86104.8-179.3-50.4-19.2000108.5Q416N407-Q416 PolarHBondContact O-N 2.9Å
408I73.4Confident59.4Low111 Ų111115.5 Ų115.557%0.56964%0.644SS**EExtended strand (participates in β ladder)trans-99.5121.6179.1-59.8169.9000109.4L406 S410 L415L406-I408 PolarHBondContact O-N 2.92Å; I408-S410 PolarHBondContact O-N 3.04Å; I408-L415 HydrophobicContact CD1-CD2 4.17Å; I408-L415 HydrophobicContact CG1-CD2 3.6Å; I408-L415 HydrophobicContact CG1-CG 4.44Å
409C77.7Confident59.1Low36 Ų36119 Ų11924%0.24365%0.649CS.*  trans-72.2117.9175.3-178.10000111R411 C412 A413 R414C409-R411 PolarHBondContact O-N 3.42Å; C409-C412 PolarHBondContact O-N 3.4Å; C409-C412 VanDerWaalsContact O-N 3.16Å; C409-A413 WeakPolarHBondContact O-CA 3.39Å; C409-A413 PolarHBondContact O-N 2.97Å; C409-R414 PolarHBondContact N-O 3.43Å; C409-R414 VanDerWaalsContact N-O 3.15Å
410S70Confident59Low123 Ų123118.8 Ų118.886%0.8665%0.653SS**THydrogen-bonded Turntrans-60.5-17.3-178.456.50000115.2I408I408-S410 PolarHBondContact O-N 3.04Å
411R64.1Low58.4Low220 Ų220121.5 Ų121.583%0.8366%0.655SS**THydrogen-bonded Turntrans-92.4-18.2178.3-77-172.9168.1-165.3-4.3115.2C409C409-R411 PolarHBondContact O-N 3.42Å
412C78.1Confident57.8Low49 Ų49122.1 Ų122.133%0.33166%0.658SS.*THydrogen-bonded Turntrans-141.82.6-175.464.20000114.8C409 R414C409-C412 PolarHBondContact O-N 3.4Å; C409-C412 VanDerWaalsContact O-N 3.16Å; C412-R414 HydrophobicContact CB-CG 4.42Å; C412-R414 PolarHBondContact O-N 2.97Å
413A70.4Confident56.7Low79 Ų79128.8 Ų128.865%0.65367%0.665SS**  trans5412.2-179.100000115.5C409C409-A413 WeakPolarHBondContact O-CA 3.39Å; C409-A413 PolarHBondContact O-N 2.97Å
414R70.6Confident55.5Low165 Ų165124.7 Ų124.762%0.62366%0.655SS**  trans-76.3132.9176.9-63.4-179.276.3-178.63.2109.6C409 C412C409-R414 PolarHBondContact N-O 3.43Å; C409-R414 VanDerWaalsContact N-O 3.15Å; C412-R414 HydrophobicContact CB-CG 4.42Å; C412-R414 PolarHBondContact O-N 2.97Å
415L65.2Low54.4Low110 Ų110127.2 Ų127.258%0.57666%0.66SS**EExtended strand (participates in β ladder)trans-70.5123.1168.1-70.4161.2000108.9L406 I408L406-L415 HydrophobicContact CB-CD2 3.7Å; L406-L415 HydrophobicContact CD1-CD2 3.91Å; L406-L415 HydrophobicContact CD2-CD2 4.23Å; L406-L415 HydrophobicContact CG-CD2 4.15Å; I408-L415 HydrophobicContact CD1-CD2 4.17Å; I408-L415 HydrophobicContact CG1-CD2 3.6Å; I408-L415 HydrophobicContact CG1-CG 4.44Å
416Q58.9Low53.1Low111 Ų111130.8 Ų130.852%0.51967%0.669SS.*EExtended strand (participates in β ladder)trans-105.3118.4167.7-169.6170.3-0.600108.5N407N407-Q416 PolarHBondContact O-N 2.9Å
417G47.8Very low51.3Low64 Ų64131.8 Ų131.866%0.6669%0.686SS**  trans-156.682.2-169.400000110.2
418D41.7Very low49.8Very low131 Ų131135 Ų13570%0.70170%0.701SS**  trans-97.3102.3-179.1-43.4-24.1000106.9L420D418-L420 PolarHBondContact O-N 2.92Å
419N39.9Very low48.5Very low169 Ų169134.8 Ų134.890%0.90471%0.707SS**  trans-90.297.5175-145.6-97000108.5
420L37.5Very low46.1Very low155 Ų155141.6 Ų141.681%0.81274%0.738SS**  trans-103.1144179.3-178.167.4000110.1D418D418-L420 PolarHBondContact O-N 2.92Å
421E36Very low44.1Very low177 Ų177141.5 Ų141.583%0.82773%0.727SS**  trans97.8122.1-175-58.4178.1178.800111.7
422E29.6Very low42.2Very low183 Ų183138.4 Ų138.486%0.85572%0.722SS**  cis-135.3141.525.4-164.8175.6169.800114.1
423R31.7Very low39.8Very low224 Ų224141.2 Ų141.285%0.84574%0.742SS**  trans-35.7142.7160.7-179.7-168.2-168174.22.7114
424T26.4Very low38.8Very low95 Ų95143.3 Ų143.358%0.58375%0.749SS**  168.6107.4121.3-71.80000114
425E32.6Very low36.7Very low165 Ų165142.6 Ų142.677%0.77176%0.758SS**  trans63150.6146.384-152.6154.300125.6
426E31Very low35.2Very low173 Ų173144.9 Ų144.981%0.80877%0.765SS**  trans68.484.7160.3-61.1-173.9173.700122.2
427S28.5Very low33.7Very low126 Ų126149 Ų14988%0.88178%0.782SS**  -177.9130.7121.334.70000114.1
428L34.2Very low33Very low168 Ų168153.3 Ų153.388%0.8879%0.788SS**  trans-110.2-175.8171.4-71170.8000109
429P47.8Very low33.6Very low107 Ų107151.6 Ų151.670%0.69578%0.784SS**  -135.1164.7-63.139.5-25.2000112.5
430M26Very low33Very low179 Ų179150.5 Ų150.588%0.88278%0.778SS**  trans-178.6147.9153-106.5178.1-178.200110.5
431L28Very low32.5Very low122 Ų122147.1 Ų147.164%0.63977%0.767SS**  cis180153.9-25.3-108-175.1000106
432H25.6Very low32.1Very low154 Ų154147.8 Ų147.871%0.71377%0.768SS**  trans71.3102.8161.3-53.6149.2000119.2
433S26.7Very low31.9Very low109 Ų109145.9 Ų145.976%0.76276%0.763SS**  102.9154.162.772.10000112.9
434P49.8Very low32.2Very low123 Ų123140.3 Ų140.380%0.79976%0.759SS**  trans-106.5179.1-163.842.2-35.4000113.9
435D26Very low32.5Very low150 Ų150143.2 Ų143.280%0.80277%0.77SS**  trans-158.6160.6140-147.7-1.5000114.9
436E33.2Very low32.8Very low157 Ų157140.6 Ų140.673%0.73477%0.768SS**  trans-83.8161.7-174.6-59.9176.258.500115.5
437K28.3Very low32.4Very low199 Ų199140.2 Ų140.287%0.86577%0.766SS**  167.7157.1105.161.3-148.8164-160.40115.3
438I32.8Very low32.4Very low154 Ų154139.4 Ų139.479%0.7976%0.756SS**  trans-120.7-168.5-171.5-1175.5000109.6
439P53.8Low32.2Very low95 Ų95139.1 Ų139.162%0.61775%0.75SS**  cis-127.9-166.6-48.836.5-18.4000113.5
440D26.8Very low31.5Very low145 Ų145142.4 Ų142.478%0.77576%0.756SS**  trans72.5151.7158.6-58.7-27.4000118.7
441S28.3Very low31.7Very low85 Ų85138.3 Ų138.359%0.59475%0.75SS**  cis-167.4142.130.8-145.70000113.9
442F27.9Very low31.7Very low190 Ų190140.1 Ų140.183%0.83376%0.76SS**  trans47.8158.3148.7-60.2-44.4000123
443D24.7Very low32.1Very low143 Ų143140.2 Ų140.277%0.76576%0.763SS**  cis-176.4174-23-170.411.3000108.4
444S37.1Very low32.4Very low107 Ų107143.4 Ų143.475%0.74877%0.766SS**  trans100.2121161.1-47.30000120.7
445L33.4Very low31.5Very low156 Ų156146.3 Ų146.382%0.81777%0.768SS**  trans-106.2161.1159-117.4167.3000109.2
446P39.1Very low31.7Very low111 Ų111142.2 Ų142.272%0.72176%0.762SS**  -140.1154107.121.5-0.2000112.2
447E23.2Very low31.9Very low164 Ų164143 Ų14377%0.76677%0.771SS**  84145.355.2-155177.3178.900114.8
448T27.9Very low32.3Very low110 Ų110140.9 Ų140.968%0.67576%0.764SS**  trans69148.5174.748.60000119.6
449E30.5Very low32.5Very low161 Ų161141.2 Ų141.275%0.75276%0.76SS**  cis-172.6160.7-2563.8-163.8157.200112.6
450E32.7Very low31.5Very low176 Ų176145 Ų14582%0.82277%0.77SS**  trans64148.2148.8-62.2-8911200125.5
451A29.4Very low31.9Very low93 Ų93148 Ų14877%0.76978%0.776SS**  trans62.5132.6159.500000121
452L28.6Very low32Very low160 Ų160148.3 Ų148.384%0.83878%0.783SS**  cis105.4149.225.6-165.5128.8000113.9
453M32.9Very low32.3Very low156 Ų156145.2 Ų145.277%0.76879%0.785SS**  trans90.8123.8-173.1-51.5-168.2-62.700113.9
454E34Very low32.8Very low177 Ų177147 Ų14783%0.82779%0.786SS**  65.8129.157.5-161.7173.5-144.600110
455E31.5Very low32.4Very low183 Ų183149.2 Ų149.286%0.85579%0.789SS**  cis-142170.420.9-145.7176.1153.400107.8
456G29Very low32.1Very low64 Ų64148 Ų14866%0.6679%0.788SS**  110.8160.579.100000113.1
457D37.6Very low31.5Very low174 Ų174145.7 Ų145.793%0.9379%0.785SS**  trans82.3135.4169.2-74-10.4000123
458E37.7Very low32.5Very low155 Ų155144.5 Ų144.572%0.72479%0.791SS**  trans-123.2173.6-166.2-61173.3104.500112.5
459F37Very low32.5Very low161 Ų161142.6 Ų142.671%0.70679%0.794SS**  trans82128.2153.4-60.8-60.8000123.5
460E31.7Very low32.5Very low174 Ų174144.4 Ų144.481%0.81380%0.802SS**  trans44.9116.8133.8-60.7-170.214000121.7
461K36.5Very low32.3Very low208 Ų208140.8 Ų140.890%0.90480%0.802SS**  -161.3136.8108.1-117.5160.6-175.51590115
462A30.4Very low32.3Very low91 Ų91142 Ų14275%0.75281%0.805SS**  trans-84.9148.5167.200000111.8
463S33.7Very low32.5Very low126 Ų126139.6 Ų139.688%0.88180%0.802SS**  trans-148.5164152.2-1620000110.8
464K34.3Very low32.4Very low180 Ų180135.4 Ų135.478%0.78380%0.798SS**  trans-126.8171.1-154.8-58.4175.1-176.6-73.60113.3
465L28.9Very low32.7Very low154 Ų154132.3 Ų132.381%0.80680%0.803SS**  trans95134.1143.9-85.4146.5000121.5
466T27.3Very low33Very low129 Ų129126.4 Ų126.479%0.79179%0.791SS**  trans89.6119.8144.3-60.90000120.2
467G27.5Very low33.6Very low64 Ų64131 Ų13166%0.6680%0.795SS**  trans-101.2-153.3156.900000110.9
468P43.7Very low34Very low139 Ų139128.3 Ų128.390%0.90379%0.79SS**  cis-129.7-172.9-0.342.7-26.5000113.8
469G27.1Very low34.4Very low70 Ų70128 Ų12872%0.72279%0.793SS**  trans141.296.6153.900000120.5
470E31.1Very low34.8Very low198 Ų198127.8 Ų127.893%0.92579%0.791SS**  trans50.9122140.4-58.1-172109.900125.6
471A28Very low35.5Very low100 Ų100124 Ų12483%0.82678%0.776SS**  trans64118.9136.300000123.4
472S29.9Very low35.8Very low120 Ų120122.5 Ų122.584%0.83977%0.767SS**  -173.2139.4122.7-166.30000114.7
473S32.6Very low36.7Very low108 Ų108123.9 Ų123.976%0.75576%0.759SS**  trans42.1104.3147.5-167.20000122.5
474G31.9Very low37.7Very low68 Ų68124.1 Ų124.170%0.70175%0.746SS**  67.4124.899.600000121.8
475A38.8Very low38.6Very low113 Ų113120.5 Ų120.593%0.93473%0.732SS**  trans77.6122.316100000118.8
476G39.2Very low39.9Very low58 Ų58116 Ų11660%0.59871%0.709SS**  trans157.9-22.4165.500000117.9S478G476-S478 PolarHBondContact O-N 3.37Å
477H41.1Very low41.4Very low162 Ų162116.3 Ų116.375%0.7570%0.701SS**THydrogen-bonded Turntrans-86.93.9-163-82-101.4000117.5
478S46.8Very low42.8Very low117 Ų117116.3 Ų116.382%0.81869%0.691SS**THydrogen-bonded Turntrans-89-11.7-175.1-163.30000115.6G476G476-S478 PolarHBondContact O-N 3.37Å
479L44.8Very low43.4Very low148 Ų148114.8 Ų114.878%0.77568%0.675SS**THydrogen-bonded Turntrans-104.8-12.7-174.6-151.483.8000113.9
480K46.1Very low45Very low156 Ų156116.8 Ų116.868%0.67866%0.663SS**THydrogen-bonded Turntrans-84.8-39.9-175.8-71.3-173174.5-175.60113.1Y482 M483 E484K480-Y482 VanDerWaalsContact C-N 3.32Å; K480-Y482 PolarHBondContact O-N 2.95Å; K480-M483 PolarHBondContact O-N 3.37Å; K480-E484 PolarHBondContact O-N 3.23Å
481N47Very low46.2Very low94 Ų94114.3 Ų114.350%0.50365%0.652SS.*Hα-helixtrans-56.2-46.2179.5-64.62.5000111.7M483 E484 E485N481-M483 PolarHBondContact O-N 3.47Å; N481-E484 PolarHBondContact O-N 3.33Å; N481-E485 VanDerWaalsContact O-CG 3.31Å; N481-E485 WeakPolarHBondContact O-CG 3.47Å; N481-E485 PolarHBondContact O-N 2.97Å; N481-E485 VanDerWaalsContact O-OE1 3.11Å
482Y42Very low47.4Very low178 Ų178115.4 Ų115.470%0.69864%0.643SS**Hα-helixtrans-59.1-18.6-176.3-166.2-93.3000114.8K480 E485K480-Y482 VanDerWaalsContact C-N 3.32Å; K480-Y482 PolarHBondContact O-N 2.95Å; Y482-E485 VanDerWaalsContact CA-OE1 3.31Å; Y482-E485 WeakPolarHBondContact CA-OE1 3.34Å; Y482-E485 PolarHBondContact N-OE1 3.42Å
483M48.9Very low48.6Very low119 Ų119117 Ų11759%0.58664%0.637SS**Hα-helixtrans-94-33.6175.2-65.8-100.858.500112.2K480 N481 D486 E487K480-M483 PolarHBondContact O-N 3.37Å; N481-M483 PolarHBondContact O-N 3.47Å; M483-D486 PolarHBondContact O-N 2.91Å; M483-E487 PolarHBondContact O-N 3.18Å
484E54.8Low49.4Very low131 Ų131117.2 Ų117.261%0.61263%0.634SS**Hα-helixtrans-75.5-34.7-179.8-171.7172.1-17100112K480 N481 D486 S488K480-E484 PolarHBondContact O-N 3.23Å; N481-E484 PolarHBondContact O-N 3.33Å; E484-D486 VanDerWaalsContact C-N 3.34Å; E484-S488 WeakPolarHBondContact O-CB 3.31Å; E484-S488 PolarHBondContact O-N 3.46Å; E484-S488 PolarHBondContact O-OG 3.11Å
485E54.2Low50.1Low104 Ų104119.5 Ų119.549%0.48663%0.634SS.*Hα-helixtrans-70.6-28.8173.263.1-157.5109.500112.5N481 Y482 S488 L489N481-E485 VanDerWaalsContact O-CG 3.31Å; N481-E485 WeakPolarHBondContact O-CG 3.47Å; N481-E485 PolarHBondContact O-N 2.97Å; N481-E485 VanDerWaalsContact O-OE1 3.11Å; Y482-E485 VanDerWaalsContact CA-OE1 3.31Å; Y482-E485 WeakPolarHBondContact CA-OE1 3.34Å; Y482-E485 PolarHBondContact N-OE1 3.42Å; E485-S488 PolarHBondContact O-N 3.07Å; E485-L489 WeakPolarHBondContact O-CB 3.28Å; E485-L489 WeakPolarHBondContact O-CD1 3.45Å; E485-L489 VanDerWaalsContact O-CG 3.25Å; E485-L489 WeakPolarHBondContact O-CG 3.38Å; E485-L489 PolarHBondContact O-N 3.35Å
486D56Low50.5Low61 Ų61122.5 Ų122.533%0.32663%0.628SS.*Hα-helixtrans-75.9-35.3175.5-166.366.5000112.9M483 E484 K490M483-D486 PolarHBondContact O-N 2.91Å; E484-D486 VanDerWaalsContact C-N 3.34Å; D486-K490 WeakPolarHBondContact O-CD 3.45Å; D486-K490 WeakPolarHBondContact O-CG 3.36Å; D486-K490 PolarHBondContact O-N 2.87Å; D486-K490 VanDerWaalsContact O-N 3.12Å; D486-K490 WeakPolarHBondContact OD2-CE 3.43Å; D486-K490 IonicContact OD2-NZ 2.71Å; D486-K490 PolarHBondContact OD2-NZ 3.34Å
487E57.3Low50.9Low134 Ų134126.7 Ų126.763%0.62663%0.632SS**Hα-helixtrans-66.9-40.7167.7-72.8-168.1131.600111.6M483 L489 K490 Q491M483-E487 PolarHBondContact O-N 3.18Å; E487-L489 VanDerWaalsContact C-N 3.34Å; E487-L489 PolarHBondContact O-N 3.18Å; E487-K490 WeakPolarHBondContact O-CB 3.42Å; E487-K490 PolarHBondContact O-N 2.97Å; E487-Q491 PolarHBondContact O-N 3.25Å
488S57.7Low51.4Low64 Ų64123.8 Ų123.845%0.44863%0.628SS.*Hα-helixtrans-62.1-39.1176-59.10000112.6E484 E485 Q491 L492E484-S488 WeakPolarHBondContact O-CB 3.31Å; E484-S488 PolarHBondContact O-N 3.46Å; E484-S488 PolarHBondContact O-OG 3.11Å; E485-S488 PolarHBondContact O-N 3.07Å; S488-Q491 WeakPolarHBondContact O-CB 3.2Å; S488-Q491 PolarHBondContact O-N 2.97Å; S488-L492 PolarHBondContact O-N 2.99Å; S488-L492 VanDerWaalsContact O-N 3.09Å
489L56.9Low51.2Low107 Ų107130.2 Ų130.256%0.5663%0.634SS**Hα-helixtrans-67.2-36.8174.5-77.5163.1000112.4E485 E487 L492 Q493E485-L489 WeakPolarHBondContact O-CB 3.28Å; E485-L489 WeakPolarHBondContact O-CD1 3.45Å; E485-L489 VanDerWaalsContact O-CG 3.25Å; E485-L489 WeakPolarHBondContact O-CG 3.38Å; E485-L489 PolarHBondContact O-N 3.35Å; E487-L489 VanDerWaalsContact C-N 3.34Å; E487-L489 PolarHBondContact O-N 3.18Å; L489-L492 PolarHBondContact O-N 3.4Å; L489-Q493 PolarHBondContact O-N 2.84Å
490K59.6Low51.3Low112 Ų112130.4 Ų130.449%0.48764%0.635SS.*Hα-helixtrans-67-38171.9-73.7161.5-177.7156.20112D486 E487 L492 Q493 V494D486-K490 WeakPolarHBondContact O-CD 3.45Å; D486-K490 WeakPolarHBondContact O-CG 3.36Å; D486-K490 PolarHBondContact O-N 2.87Å; D486-K490 VanDerWaalsContact O-N 3.12Å; D486-K490 WeakPolarHBondContact OD2-CE 3.43Å; D486-K490 IonicContact OD2-NZ 2.71Å; D486-K490 PolarHBondContact OD2-NZ 3.34Å; E487-K490 WeakPolarHBondContact O-CB 3.42Å; E487-K490 PolarHBondContact O-N 2.97Å; K490-L492 VanDerWaalsContact C-N 3.28Å; K490-L492 PolarHBondContact O-N 2.86Å; K490-Q493 PolarHBondContact O-N 3.28Å; K490-V494 PolarHBondContact O-N 2.94Å
491Q56.6Low51Low146 Ų146129.8 Ų129.868%0.68264%0.638SS**Hα-helixtrans-60.1-39.2173.6-14480.621.400111.6E487 S488E487-Q491 PolarHBondContact O-N 3.25Å; S488-Q491 WeakPolarHBondContact O-CB 3.2Å; S488-Q491 PolarHBondContact O-N 2.97Å
492L52.9Low50.6Low123 Ų123130 Ų13064%0.64464%0.644SS**Hα-helixtrans-71.4-32.5175.8-79.4161000113.3S488 L489 K490 V494 V495S488-L492 PolarHBondContact O-N 2.99Å; S488-L492 VanDerWaalsContact O-N 3.09Å; L489-L492 PolarHBondContact O-N 3.4Å; K490-L492 VanDerWaalsContact C-N 3.28Å; K490-L492 PolarHBondContact O-N 2.86Å; L492-V494 VanDerWaalsContact C-N 3.27Å; L492-V494 PolarHBondContact O-N 2.82Å; L492-V495 PolarHBondContact O-N 3.07Å
493Q54.6Low50.4Low154 Ų154126.7 Ų126.772%0.7265%0.647SS**Hα-helixtrans-65.6-26.1176.1-93.2-178.4-17.400113.8L489 K490 V495 H496L489-Q493 PolarHBondContact O-N 2.84Å; K490-Q493 PolarHBondContact O-N 3.28Å; Q493-V495 PolarHBondContact O-N 2.81Å; Q493-H496 PolarHBondContact O-N 2.98Å
494V50.3Low50.1Low112 Ų112128.2 Ų128.268%0.67966%0.658SS**THydrogen-bonded Turntrans-67.4-19.9177.2174.20000112.7K490 L492K490-V494 PolarHBondContact O-N 2.94Å; L492-V494 VanDerWaalsContact C-N 3.27Å; L492-V494 PolarHBondContact O-N 2.82Å
495V47.1Very low49.6Very low116 Ų116128.3 Ų128.370%0.70367%0.667SS**THydrogen-bonded Turntrans-84.5-12-175.7-1730000112.7L492 Q493 Q497L492-V495 PolarHBondContact O-N 3.07Å; Q493-V495 PolarHBondContact O-N 2.81Å; V495-Q497 PolarHBondContact O-N 3.47Å
496H46.1Very low49.2Very low176 Ų176132 Ų13282%0.81569%0.685SS**  trans-85.750.8-176.9-129.5-74.7000113.8Q493Q493-H496 PolarHBondContact O-N 2.98Å
497Q48Very low48.4Very low146 Ų146134.5 Ų134.568%0.68271%0.707SS**  trans-65.2136.4165.8-70.6-71.5-8.700109.8V495 W499V495-Q497 PolarHBondContact O-N 3.47Å; Q497-W499 PolarHBondContact O-N 3.08Å
498P51.3Low47.5Very low101 Ų101136.2 Ų136.266%0.65672%0.715SS**  trans-67.2129.717128.2-32.5000109.5I500P498-I500 PolarHBondContact O-N 2.8Å
499W43.8Very low46.5Very low252 Ų252136.9 Ų136.996%0.95573%0.732SS**  trans-65106.4174.9-72.879.7000109.7Q497 L501Q497-W499 PolarHBondContact O-N 3.08Å; W499-L501 PolarHBondContact O-N 2.8Å
500I45.5Very low45.6Very low152 Ų152138 Ų13878%0.77974%0.743SS**  trans-77.5114169-58.5175.1000106.7P498P498-I500 PolarHBondContact O-N 2.8Å
501L39.4Very low44.7Very low144 Ų144141.4 Ų141.475%0.75476%0.761SS**  trans-59.4136.8170.3-89.185.8000109.6W499 S503W499-L501 PolarHBondContact O-N 2.8Å; L501-S503 PolarHBondContact O-N 3.17Å
502P38.7Very low43.7Very low98 Ų98139 Ų13964%0.63677%0.766SS**  trans-56.8127.5158.6-1932.1000109D504P502-D504 PolarHBondContact O-N 3.38Å
503S39Very low43Very low108 Ų108142 Ų14276%0.75578%0.777SS**  trans-77.680.3169.6-62.60000108.8L501 T505L501-S503 PolarHBondContact O-N 3.17Å; S503-T505 VanDerWaalsContact C-N 3.3Å; S503-T505 PolarHBondContact O-N 2.65Å
504D41.5Very low42Very low152 Ų152144 Ų14481%0.81379%0.786SS**  trans-68.891.2172.4-72.8-26.3000109.4P502P502-D504 PolarHBondContact O-N 3.38Å
505T44.2Very low41.1Very low132 Ų132145.6 Ų145.681%0.8179%0.786SS**  trans-90.9100173.553.10000110.2S503S503-T505 VanDerWaalsContact C-N 3.3Å; S503-T505 PolarHBondContact O-N 2.65Å
506E45.7Very low40.5Very low182 Ų182148.4 Ų148.485%0.8579%0.789SS**  trans-141.6140156.966.4175.3110.200113.3
507S39.7Very low40Very low114 Ų114151 Ų15180%0.79779%0.791SS**  trans64.3140.6178.9-124.80000117.7
508E39.8Very low39.3Very low169 Ų169149.3 Ų149.379%0.7980%0.796SS**  cis-142.2131.92.5-171.2175118.300109
509G35.8Very low38.7Very low78 Ų78149.1 Ų149.180%0.80480%0.803SS**  trans-85115.1-177.200000112.7
510V37.3Very low38.2Very low132 Ų132144.3 Ų144.380%0.880%0.796SS**  trans-93.5110.5166.5-177.50000109.1A512V510-A512 PolarHBondContact O-N 2.79Å
511E41.8Very low37.8Very low183 Ų183144.4 Ų144.486%0.85580%0.797SS**  trans-55.3124.8173.3-76-97.7133.100111.7
512A35.1Very low37.8Very low95 Ų95145.5 Ų145.579%0.78580%0.803SS**  trans-141.4105.116100000108.8V510 Q514V510-A512 PolarHBondContact O-N 2.79Å; A512-Q514 PolarHBondContact O-N 3.34Å
513E39.3Very low37.9Very low186 Ų186148.1 Ų148.187%0.86981%0.811SS**  trans-55.7121.1173.9-66.8175.788.800111
514Q33.3Very low37.8Very low195 Ų195148.2 Ų148.291%0.91181%0.81SS**  trans-146.9107.8143.4-126.4172.13500114.7A512 K516A512-Q514 PolarHBondContact O-N 3.34Å; Q514-K516 PolarHBondContact O-N 2.82Å
515E31.1Very low38Very low146 Ų146147.4 Ų147.468%0.68281%0.81SS**  trans-56.7120.1168.1-176.7-147.8-173.500112.3
516K33.5Very low38.1Very low175 Ų175146.8 Ų146.876%0.76181%0.808SS**  -178.5147.5121.9-98147.8-164.6159.20115.7Q514Q514-K516 PolarHBondContact O-N 2.82Å
517R36.8Very low38.1Very low230 Ų230140 Ų14087%0.86878%0.781SS**  trans-56.4134.2177.6-61.3169.4167.792.6-1.7113.2
518S32.4Very low38.7Very low112 Ų112140.9 Ų140.978%0.78379%0.787SS**  trans-147.9120.8138.2-79.70000108.4
519A38.9Very low39.2Very low97 Ų97136.3 Ų136.380%0.80277%0.773SS**  trans-94.294.2173.700000108.6L521A519-L521 PolarHBondContact O-N 2.79Å
520D34Very low39.7Very low151 Ų151134.8 Ų134.881%0.80775%0.75SS**  trans-75.593.6173.6-87-19.9000110.3L522D520-L522 PolarHBondContact O-N 3.13Å
521L36.9Very low40Very low153 Ų153134.5 Ų134.580%0.80175%0.751SS**  trans-56.6104.7155.6-86.8157.1000108.4A519 L523A519-L521 PolarHBondContact O-N 2.79Å; L521-L523 PolarHBondContact O-N 2.73Å
522L39.7Very low40Very low167 Ų167131.9 Ų131.987%0.87475%0.747SS**  trans-61.983.8167.3-99.9158.2000109.8D520 C524D520-L522 PolarHBondContact O-N 3.13Å; L522-C524 VanDerWaalsContact C-N 3.35Å; L522-C524 PolarHBondContact O-N 2.92Å
523L39.6Very low40.3Very low154 Ų154135.2 Ų135.281%0.80675%0.751SS**  trans-66.992171.1-93.2153.8000108.8L521 V525L521-L523 PolarHBondContact O-N 2.73Å; L523-V525 PolarHBondContact O-N 3.08Å
524C38.1Very low40.5Very low110 Ų110131.6 Ų131.674%0.74374%0.742SS**  trans-56.8106.6169.5-70.80000110.1L522 P526L522-C524 VanDerWaalsContact C-N 3.35Å; L522-C524 PolarHBondContact O-N 2.92Å; C524-P526 WeakPolarHBondContact O-CD 3.18Å
525V45.9Very low40.5Very low135 Ų135132.6 Ų132.682%0.81874%0.739SS**PPolyproline II helixtrans-62120.9167179.80000107.7L523 C527L523-V525 PolarHBondContact O-N 3.08Å; V525-C527 PolarHBondContact O-N 2.74Å
526P46.4Very low40.9Very low118 Ų118130.7 Ų130.777%0.76674%0.741SS**PPolyproline II helixtrans-72121.5-176.127.1-32.8000110.7C524 S528C524-P526 WeakPolarHBondContact O-CD 3.18Å; P526-S528 PolarHBondContact O-N 3.41Å
527C44.8Very low41Very low40 Ų40124.6 Ų124.627%0.2773%0.729SS.*PPolyproline II helixtrans-64.9120.9169.4-1770000109.5V525 S529 C530V525-C527 PolarHBondContact O-N 2.74Å; C527-S529 PolarHBondContact O-N 3Å; C527-C530 PolarHBondContact O-N 3.34Å
528S52.3Low40.9Very low133 Ų133125.4 Ų125.493%0.9375%0.749SS**THydrogen-bonded Turntrans-64.4-5.9-17953.20000114.8P526P526-S528 PolarHBondContact O-N 3.41Å
529S50.6Low41.3Very low72 Ų72126.1 Ų126.150%0.50375%0.747SS.*THydrogen-bonded Turntrans-101.94.8-178.5-169.50000114C527C527-S529 PolarHBondContact O-N 3Å
530C45.4Very low41.4Very low47 Ų47127.6 Ų127.632%0.31874%0.744SS.*SBendtrans-107.9113.2177.2-65.90000110.6C527 T532C527-C530 PolarHBondContact O-N 3.34Å; C530-T532 PolarHBondContact O-N 2.79Å
531P44.3Very low41.8Very low125 Ų125126.3 Ų126.381%0.81274%0.741SS**  trans-64.1135.2173.326.9-32.9000110.3L533P531-L533 PolarHBondContact O-N 3.39Å
532T42.1Very low42.1Very low128 Ų128124.8 Ų124.879%0.78574%0.737SS**  trans-66.499.2-175.2-46.40000111.2C530 V534C530-T532 PolarHBondContact O-N 2.79Å; T532-V534 PolarHBondContact O-N 3.42Å
533L40.3Very low42.3Very low166 Ų166122.1 Ų122.187%0.86973%0.729SS**  trans-68.5103.4164.3-111.2171.2000108.5P531 Y535P531-L533 PolarHBondContact O-N 3.39Å; L533-Y535 PolarHBondContact O-N 3.42Å
534V44.1Very low42.5Very low110 Ų110120 Ų12067%0.66772%0.724SS**  trans-63.9113.1171.11770000107.8T532T532-V534 PolarHBondContact O-N 3.42Å
535Y34Very low42.8Very low215 Ų215120.7 Ų120.784%0.84372%0.722SS**  trans-87.6108.7172.2-164.4-103.8000109.1L533 G537L533-Y535 PolarHBondContact O-N 3.42Å; Y535-G537 WeakPolarHBondContact CD1-O 3.41Å; Y535-G537 WeakPolarHBondContact CE1-O 3.44Å
536S38.6Very low42.5Very low106 Ų106119.6 Ų119.674%0.74172%0.715SS**  trans-96.8130.5175.7-66.40000110.5
537G35.6Very low42.2Very low48 Ų48119.8 Ų119.850%0.49571%0.711SS.*  trans81.4147.6177.400000113.3Y535Y535-G537 WeakPolarHBondContact CD1-O 3.41Å; Y535-G537 WeakPolarHBondContact CE1-O 3.44Å
538L34.3Very low42Very low247 Ų247127 Ų127100%1.29375%0.751SS**  cis-144.604.2-115.8169000109.6

Retrieved 538 of 538 residues in 104.3 ms (Link to these results)