A0A096NNV9_PAPAN Loading...

Double-stranded RNA-binding protein Staufen homolog 1

Binds double-stranded RNA (regardless of the sequence) and tubulin. May play a role in specific positioning of mRNAs at given sites in the cell by cross-linking cytoskeletal and RNA components, and in stimulating their translation at the site.

AlphaFold DB (H9YVP3), UniProt , Accession A0A096NNV9, Species PAPAN (Papio anubis, Olive baboon), Gene STAU1, Length 577 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38Very low36.6Very low247 Ų247151.4 Ų151.4100%1.21782%0.817SS**  0128.70-55.3173.3-175.300106.6
2S37.6Very low36.2Very low123 Ų123149 Ų14986%0.8682%0.821SS**  cis-144.8159.7-2.7-156.30000110.3
3Q38.4Very low35.9Very low167 Ų167144.4 Ų144.478%0.7881%0.814SS**  trans-77.3156167.5-61.3174.60.500110.2
4V40.6Very low35.6Very low144 Ų144140.3 Ų140.387%0.87381%0.808SS**  trans-138.6135.2149.5-178.50000109.4
5Q37.5Very low35.5Very low157 Ų157142.1 Ų142.173%0.73481%0.812SS**  trans-133.9130.5-176.1172.7-17123.900108
6V39Very low35.2Very low131 Ų131140.7 Ų140.779%0.79481%0.814SS**  trans-152.7121.9167.1-171.20000105.4
7Q30.8Very low34.8Very low154 Ų154135.8 Ų135.872%0.7280%0.8SS**  cis95.590.626.8-161.7165.55.300115.4
8V32Very low34.5Very low111 Ų111135.2 Ų135.267%0.67380%0.804SS**  trans70.7128.8135.3173.40000120
9Q29.7Very low34.2Very low164 Ų164136.9 Ų136.977%0.76680%0.804SS**  164.3134108.5-165.446.459.400113.3
10N34.5Very low34.1Very low138 Ų138136.9 Ų136.974%0.73880%0.798SS**  trans-80.8153165.1-80.8-15.6000111.3
11P44Very low33.8Very low129 Ų129138.2 Ų138.284%0.83880%0.801SS**  trans-103.8151.2148.335-27.6000112.4
12S32.7Very low33.5Very low123 Ų123132.9 Ų132.986%0.8678%0.778SS**  trans-135.7144.5175.6178.10000109.9
13A32.3Very low33Very low89 Ų89136.2 Ų136.274%0.73678%0.777SS**  trans-157.3129.9163.700000107.2
14A32Very low32.6Very low87 Ų87135.2 Ų135.272%0.71978%0.777SS**  cis69.3129.140.300000112
15L33Very low32.1Very low168 Ų168136.7 Ų136.788%0.8877%0.774SS**  cis-138.2163.32.2-70.3100.8000109.2
16S30.7Very low31.8Very low119 Ų119133.8 Ų133.883%0.83277%0.771SS**  158.2155.981.1-174.10000106.8
17G28.5Very low31.4Very low57 Ų57134.8 Ų134.859%0.58877%0.771SS**  cis141.9126.40.300000111.6
18S30.2Very low31.4Very low125 Ų125134.9 Ų134.987%0.87478%0.776SS**  trans81.5158174.5-32.60000117.9
19Q29.3Very low31.1Very low169 Ų169134.4 Ų134.479%0.7978%0.777SS**  175.3133.3-54.4-105.7-165.67.400108.8
20I31.7Very low31.1Very low136 Ų136135 Ų13570%0.69778%0.781SS**  trans56.5120.1142.8-50.5167.8000120.7
21L27.9Very low32Very low165 Ų165133 Ų13386%0.86478%0.775SS**  -164.5168.8115.7-137.496.2000114
22N30.7Very low31.3Very low134 Ų134133.9 Ų133.972%0.71777%0.772SS**  trans-136.5136.8-166.9173.821000111.3
23K28.8Very low31.2Very low194 Ų194136 Ų13684%0.84377%0.77SS**  trans178.2133.8158.2-102.4165-180-179.10108.1
24N28.8Very low31Very low145 Ų145135.6 Ų135.678%0.77576%0.762SS**  cis96.714326.8-148.7-9.6000114.1
25Q30.9Very low31Very low175 Ų175139 Ų13982%0.81877%0.766SS**  trans75.4130.9-169.2-62.6-175.5-17.400117.1
26S30.3Very low31.8Very low97 Ų97135.8 Ų135.868%0.67876%0.755SS**  cis102.6133.715.177.30000115.6
27L30.3Very low31.6Very low151 Ų151135.2 Ų135.279%0.79175%0.751SS**  trans173.6113145.3-90.9167.7000107.9
28L30.5Very low31.6Very low156 Ų156138.4 Ų138.482%0.81776%0.76SS**  65.5142.298.2-66.3-173.1000115.2
29S27.4Very low31.6Very low101 Ų101138.5 Ų138.571%0.70676%0.755SS**  cis-165.2137937.60000109.2
30Q28.5Very low31.7Very low178 Ų178136.4 Ų136.483%0.83276%0.759SS**  58.1155.484.1-80.2-148.52100117.4
31P53Low31.6Very low95 Ų95134.9 Ų134.962%0.61776%0.761SS**  cis-148.8-174.9-28.839.1-18.7000117.5
32L29.5Very low31.8Very low148 Ų148135 Ų13578%0.77576%0.761SS**  trans90.8154.4138.3-108.2150.9000124.4
33M31.3Very low32.5Very low166 Ų166134.3 Ų134.382%0.81876%0.764SS**  trans91.4157171.7-59.1-59.8-155.100119.9
34S27.3Very low32.7Very low81 Ų81130.2 Ų130.257%0.56676%0.76SS**  -178.7124.9-56.1-100.50000116
35I32.4Very low32.9Very low158 Ų158131.6 Ų131.681%0.8176%0.762SS**  trans66.8176.2152.3-29.5161.6000114.6
36P49.5Very low33Very low101 Ų101129.8 Ų129.866%0.65676%0.758SS**  -136.5-173.3-97.146.1-29.2000118.5
37S27.5Very low33Very low107 Ų107129.6 Ų129.675%0.74876%0.762SS**  trans71.1158.3155.1-53.90000116.8
38T28.6Very low32.9Very low124 Ų124126.4 Ų126.476%0.76177%0.765SS**  cis-152.5152.631.447.10000115.4
39T29.8Very low32.9Very low128 Ų128130.6 Ų130.679%0.78577%0.77SS**  trans-0.6141.5146.962.70000122.2
40S31.1Very low34Very low125 Ų125130.9 Ų130.987%0.87477%0.77SS**  -174.7167.9112.757.10000112.3
41S30Very low34.1Very low103 Ų103130.3 Ų130.372%0.7277%0.771SS**  trans-156.4140-160.9550000114.9
42L32Very low33.1Very low167 Ų167133.8 Ų133.887%0.87478%0.779SS**  trans63.9176.3158.8-61.6173.4000116.2
43P45.1Very low33.1Very low120 Ų120133.7 Ų133.778%0.77978%0.779SS**  cis-111.2177.4-5.79.916.9000113
44S33.3Very low33.2Very low108 Ų108131 Ų13176%0.75578%0.777SS**  cis100.3146.731.3-160.40000115.5
45E33.1Very low33.4Very low174 Ų174131.6 Ų131.681%0.81379%0.787SS**  trans78.1156172.6-66-158.979.400121.1
46N32.3Very low33.7Very low137 Ų137132.2 Ų132.273%0.73379%0.79SS**  cis-168157.3-39.3-158.3-1.4000110.7
47A29.9Very low33.6Very low94 Ų94133.1 Ų133.178%0.77780%0.797SS**  trans42.8135.115400000124.3
48G28.5Very low33.7Very low83 Ų83133.5 Ų133.586%0.85680%0.799SS**  trans166.3113.8158.800000115.9
49R31.8Very low34.1Very low245 Ų245131.9 Ų131.993%0.92580%0.798SS**  trans-117.1-167.8-179.9-81.9-171.4176.9-1681.6110.2
50P48.7Very low34.2Very low107 Ų107131.1 Ų131.170%0.69580%0.798SS**  -135.5168.3-56.838-22.7000114.4
51I31.3Very low34.4Very low166 Ų166133.4 Ų133.485%0.85180%0.799SS**  trans-149.2108.2153.7-53.4-178.5000107
52Q31.6Very low34.6Very low168 Ų168135.3 Ų135.379%0.78581%0.806SS**  68.4102.873.4-79.8-162.2-13.800117.7
53N30.9Very low34.6Very low146 Ų146132.5 Ų132.578%0.78180%0.801SS**  171.8106.1130-84.6-15.2000107.7
54S32.7Very low34.1Very low109 Ų109133.4 Ų133.476%0.76280%0.804SS**  55.8129.582.970.50000113.8
55A32Very low34.2Very low94 Ų94132.5 Ų132.578%0.77780%0.798SS**  cis-149.6147.227.600000115.8
56L38.3Very low34.4Very low170 Ų170129.6 Ų129.689%0.8980%0.803SS**  trans-111.6150.6143.8-80168.8000105.6
57P47Very low34.6Very low121 Ų121127 Ų12779%0.78680%0.802SS**  -147.2-173.478.742.4-23.2000112.4
58S29Very low35.3Very low114 Ų114125.3 Ų125.380%0.79779%0.787SS**  cis-146.7162.65.3-158.70000111.3
59A38.5Very low36.2Very low90 Ų90130.7 Ų130.774%0.74479%0.79SS**  trans-83153.7172.400000112.3
60S30.5Very low37.3Very low113 Ų113124.3 Ų124.379%0.7978%0.783SS**  trans-137.7107169.3-70.70000111
61I35.5Very low38.8Very low172 Ų172123.7 Ų123.788%0.88277%0.773SS**  trans44119.3154.356.3172.9000120.9
62T35.3Very low41.6Very low143 Ų143118.4 Ų118.488%0.87775%0.748SS**  trans-69143.9179.1-40.30000114.6
63S30.4Very low44.4Very low109 Ų109112.4 Ų112.476%0.76272%0.724SS**  trans-142.4113.2144.351.20000112.1
64T35.5Very low47.3Very low138 Ų138106.6 Ų106.685%0.84769%0.694SS**SBendtrans24.697.7151.816.30000119.4
65S35.8Very low50.1Low90 Ų90105.2 Ų105.263%0.62968%0.681SS**  trans164.573132.8-174.50000112.5A67S65-A67 PolarHBondContact O-N 2.9Å
66A36.1Very low53Low112 Ų112104.6 Ų104.693%0.92666%0.662SS**THydrogen-bonded Turntrans-75.931.9172.200000113.4
67A38Very low55.6Low84 Ų8496.5 Ų96.569%0.69462%0.619SS**THydrogen-bonded Turntrans-125.64.3-174.900000113.6S65S65-A67 PolarHBondContact O-N 2.9Å
68A43.3Very low57.7Low58 Ų5893.9 Ų93.948%0.47960%0.599SS.*  trans-90.4-18.7-177.400000114.5S70 I71A68-S70 PolarHBondContact O-N 3.37Å; A68-I71 PolarHBondContact O-N 3.38Å
69E49Very low60.7Low196 Ų19691.3 Ų91.392%0.91658%0.584SS**THydrogen-bonded Turntrans-74.58.3-163.4-59.4-165.314800116.4
70S54.5Low63Low110 Ų11088.5 Ų88.577%0.76956%0.557SS**THydrogen-bonded Turntrans-108.7-1.6175.762.60000114.7A68A68-S70 PolarHBondContact O-N 3.37Å
71I78.9Confident65.8Low95 Ų9583.2 Ų83.249%0.48752%0.519SS..SBendtrans-97.5118.8-178.1-56.1178.3000109.9A68 V75 E76A68-I71 PolarHBondContact O-N 3.38Å; I71-V75 HydrophobicContact CG2-CB 4.05Å; I71-V75 HydrophobicContact CG2-CG1 3.96Å; I71-E76 HydrophobicContact CG2-CB 4.13Å
72T89.9Confident68.3Low55 Ų5582.7 Ų82.734%0.33752%0.515SS..  trans-67143.4176.563.50000111.7T74 V75 E76 H150T72-T74 PolarHBondContact O-N 2.93Å; T72-T74 PolarHBondContact OG1-OG1 3.01Å; T72-V75 WeakPolarHBondContact O-CB 3.34Å; T72-V75 PolarHBondContact O-N 3.21Å; T72-V75 WeakPolarHBondContact OG1-CG2 3.43Å; T72-E76 PolarHBondContact O-N 3.49Å; T72-H150 WeakPolarHBondContact CB-CE1 3.35Å; T72-H150 VanDerWaalsContact CG2-CE1 3.49Å; T72-H150 WeakPolarHBondContact CG2-CE1 3.17Å; T72-H150 PolarHBondContact OG1-CE1 2.9Å
73P91.4Very high70.7Confident42 Ų4285 Ų8527%0.27351%0.513SS..Hα-helixtrans-55-29.8-177.5-29.735.8000114.9L77 A153 A154 L157P73-L77 VanDerWaalsContact O-CB 3.3Å; P73-L77 WeakPolarHBondContact O-CB 3.4Å; P73-L77 PolarHBondContact O-N 2.94Å; P73-A153 HydrophobicContact CB-CB 4.23Å; P73-A154 HydrophobicContact CB-CB 4.13Å; P73-A154 HydrophobicContact CG-CB 4.4Å; P73-L157 HydrophobicContact CB-CD1 4.16Å; P73-L157 WeakPolarHBondContact O-CD1 3.48Å
74T91.5Very high73.1Confident23 Ų2382.8 Ų82.814%0.14149%0.492CS..Hα-helixtrans-69.2-29.8175.844.30000113.6T72 N78 Y90 K149 H150 A153T72-T74 PolarHBondContact O-N 2.93Å; T72-T74 PolarHBondContact OG1-OG1 3.01Å; T74-N78 PolarHBondContact O-N 3.49Å; T74-N78 PolarHBondContact O-ND2 3.06Å; T74-Y90 HydrophobicContact CG2-CE1 4.39Å; T74-K149 HydrophobicContact CG2-CB 4.36Å; T74-H150 WeakPolarHBondContact CG2-ND1 3.2Å; T74-H150 PolarHBondContact OG1-CE1 3.49Å; T74-H150 PolarHBondContact OG1-ND1 3.26Å; T74-H150 VanDerWaalsContact OG1-ND1 3.07Å; T74-A153 HydrophobicContact CG2-CB 3.7Å
75V92.4Very high75.5Confident81 Ų8179.7 Ų79.749%0.49149%0.488SS..Hα-helixtrans-78-44.4176.7171.80000110.6I71 T72 N78 A79I71-V75 HydrophobicContact CG2-CB 4.05Å; I71-V75 HydrophobicContact CG2-CG1 3.96Å; T72-V75 WeakPolarHBondContact O-CB 3.34Å; T72-V75 PolarHBondContact O-N 3.21Å; T72-V75 WeakPolarHBondContact OG1-CG2 3.43Å; V75-N78 WeakPolarHBondContact O-CB 3.38Å; V75-N78 PolarHBondContact O-N 3.43Å; V75-A79 PolarHBondContact O-N 3.01Å
76E92.7Very high77.9Confident80 Ų8077.8 Ų77.837%0.37447%0.468SS..Hα-helixtrans-61.3-43.9175.5-172.9-168.8167.100111.2I71 T72 N78 A79 L80 L157 Q161I71-E76 HydrophobicContact CG2-CB 4.13Å; T72-E76 PolarHBondContact O-N 3.49Å; E76-N78 VanDerWaalsContact C-N 3.34Å; E76-N78 PolarHBondContact O-N 3.22Å; E76-A79 WeakPolarHBondContact O-CB 3.47Å; E76-A79 PolarHBondContact O-N 3.16Å; E76-A79 VanDerWaalsContact O-N 3.16Å; E76-L80 PolarHBondContact O-N 3.15Å; E76-L157 HydrophobicContact CB-CD1 3.95Å; E76-L157 HydrophobicContact CB-CD2 4.35Å; E76-L157 HydrophobicContact CG-CD1 4.03Å; E76-L157 HydrophobicContact CG-CD2 3.85Å; E76-L157 WeakPolarHBondContact OE2-CD1 3.42Å; E76-Q161 PolarHBondContact OE1-NE2 3.35Å
77L92.5Very high80.4Confident0 Ų080.7 Ų80.70%046%0.46CS..Hα-helixtrans-59-44.7174.2-176.176.8000111.7P73 A79 L80 C81 P88 Y90 L131 V133 A153 A156 L157 L160P73-L77 VanDerWaalsContact O-CB 3.3Å; P73-L77 WeakPolarHBondContact O-CB 3.4Å; P73-L77 PolarHBondContact O-N 2.94Å; L77-A79 VanDerWaalsContact C-N 3.29Å; L77-A79 PolarHBondContact O-N 3.07Å; L77-L80 PolarHBondContact O-N 2.83Å; L77-C81 VanDerWaalsContact O-CB 3.28Å; L77-C81 WeakPolarHBondContact O-CB 3.44Å; L77-C81 PolarHBondContact O-N 2.96Å; L77-C81 PolarHBondContact O-SG 3.36Å; L77-P88 HydrophobicContact CD2-CB 4.04Å; L77-Y90 WeakPolarHBondContact CD2-OH 3.33Å; L77-L131 HydrophobicContact CD2-CD1 4.19Å; L77-L131 HydrophobicContact CD2-CD2 3.49Å; L77-L131 VanDerWaalsContact CD2-CD2 3.49Å; L77-L131 HydrophobicContact CD2-CG 4.43Å; L77-V133 HydrophobicContact CD2-CG2 4.39Å; L77-A153 HydrophobicContact CB-CB 4.25Å; L77-A153 HydrophobicContact CD2-CB 4.01Å; L77-A156 HydrophobicContact CD1-CB 3.6Å; L77-A156 HydrophobicContact CD2-CB 4.25Å; L77-L157 HydrophobicContact CB-CD1 4.41Å; L77-L157 HydrophobicContact CB-CD2 4.21Å; L77-L157 HydrophobicContact CB-CG 4.05Å; L77-L157 HydrophobicContact CD1-CD2 4.21Å; L77-L157 HydrophobicContact CD1-CG 4.04Å; L77-L160 HydrophobicContact CD1-CD1 3.81Å
78N91.4Very high82.9Confident67 Ų6777.7 Ų77.736%0.35843%0.433SS..Hα-helixtrans-59.9-41.2177.6-73.2-24.8000111.2T74 V75 E76 C81 M82 P88T74-N78 PolarHBondContact O-N 3.49Å; T74-N78 PolarHBondContact O-ND2 3.06Å; V75-N78 WeakPolarHBondContact O-CB 3.38Å; V75-N78 PolarHBondContact O-N 3.43Å; E76-N78 VanDerWaalsContact C-N 3.34Å; E76-N78 PolarHBondContact O-N 3.22Å; N78-C81 PolarHBondContact O-N 2.84Å; N78-M82 VanDerWaalsContact O-CG 3.28Å; N78-M82 WeakPolarHBondContact O-CG 3.43Å; N78-M82 PolarHBondContact O-N 3.49Å; N78-P88 WeakPolarHBondContact OD1-CG 3.31Å
79A90.8Very high85.1Confident60 Ų6080 Ų8050%0.49644%0.436SS..Hα-helixtrans-65.2-43.917700000112.5V75 E76 L77 M82 K83V75-A79 PolarHBondContact O-N 3.01Å; E76-A79 WeakPolarHBondContact O-CB 3.47Å; E76-A79 PolarHBondContact O-N 3.16Å; E76-A79 VanDerWaalsContact O-N 3.16Å; L77-A79 VanDerWaalsContact C-N 3.29Å; L77-A79 PolarHBondContact O-N 3.07Å; A79-M82 PolarHBondContact O-N 2.66Å; A79-K83 PolarHBondContact O-N 3.14Å
80L87.6Confident87.2Confident31 Ų3172.9 Ų72.916%0.16240%0.401CS..Hα-helixtrans-62.1-46.2175.3-166.6162.2000110.8E76 L77 M82 K83 L84 L157 L160 Q161E76-L80 PolarHBondContact O-N 3.15Å; L77-L80 PolarHBondContact O-N 2.83Å; L80-M82 VanDerWaalsContact C-N 3.32Å; L80-M82 PolarHBondContact O-N 3.1Å; L80-K83 WeakPolarHBondContact O-CB 3.39Å; L80-K83 PolarHBondContact O-N 3.4Å; L80-L84 HydrophobicContact CD2-CD1 3.45Å; L80-L84 VanDerWaalsContact CD2-CD1 3.45Å; L80-L84 HydrophobicContact CD2-CG 3.94Å; L80-L84 PolarHBondContact O-N 3.28Å; L80-L157 HydrophobicContact CB-CD2 4.36Å; L80-L157 HydrophobicContact CD1-CD2 3.86Å; L80-L160 HydrophobicContact CD1-CB 4.25Å; L80-L160 HydrophobicContact CD2-CB 3.77Å; L80-L160 HydrophobicContact CD2-CD1 4.46Å; L80-Q161 HydrophobicContact CD1-CG 3.63Å
81C88.5Confident89Confident1 Ų172.9 Ų72.91%0.00739%0.387CS..Hα-helixtrans-57.5-42.7175.7-71.50000112.2L77 N78 K83 L84 G85 K86 P88 V133L77-C81 VanDerWaalsContact O-CB 3.28Å; L77-C81 WeakPolarHBondContact O-CB 3.44Å; L77-C81 PolarHBondContact O-N 2.96Å; L77-C81 PolarHBondContact O-SG 3.36Å; N78-C81 PolarHBondContact O-N 2.84Å; C81-K83 VanDerWaalsContact C-N 3.34Å; C81-K83 PolarHBondContact O-N 2.96Å; C81-L84 CarbonylContact O-C 3.59Å; C81-L84 PolarHBondContact O-N 3.14Å; C81-G85 PolarHBondContact O-N 3.41Å; C81-K86 CarbonylContact C-O 3.6Å; C81-K86 WeakPolarHBondContact CB-O 3.38Å; C81-K86 PolarHBondContact O-N 3.04Å; C81-K86 VanDerWaalsContact O-O 3.06Å; C81-P88 HydrophobicContact CB-CG 4.33Å; C81-V133 VanDerWaalsContact SG-CG1 3.53Å
82M88.1Confident89.4Confident161 Ų16172.6 Ų72.679%0.79339%0.391SS*.Hα-helixtrans-62.6-37.3174.6-72.3-17980.800112.6N78 A79 L80 G85N78-M82 VanDerWaalsContact O-CG 3.28Å; N78-M82 WeakPolarHBondContact O-CG 3.43Å; N78-M82 PolarHBondContact O-N 3.49Å; A79-M82 PolarHBondContact O-N 2.66Å; L80-M82 VanDerWaalsContact C-N 3.32Å; L80-M82 PolarHBondContact O-N 3.1Å; M82-G85 PolarHBondContact O-N 3.34Å
83K86.3Confident89.2Confident191 Ų19172.3 Ų72.383%0.8339%0.389SS*.Hα-helixtrans-66.5-34.8174.6-172.7-179.2178.1-172.90112.5A79 L80 C81A79-K83 PolarHBondContact O-N 3.14Å; L80-K83 WeakPolarHBondContact O-CB 3.39Å; L80-K83 PolarHBondContact O-N 3.4Å; C81-K83 VanDerWaalsContact C-N 3.34Å; C81-K83 PolarHBondContact O-N 2.96Å
84L81.1Confident88.4Confident63 Ų6375.2 Ų75.233%0.3340%0.402SS..THydrogen-bonded Turntrans-88.8-1.9177.8-64.4-175.4000114.5L80 C81 K86L80-L84 HydrophobicContact CD2-CD1 3.45Å; L80-L84 VanDerWaalsContact CD2-CD1 3.45Å; L80-L84 HydrophobicContact CD2-CG 3.94Å; L80-L84 PolarHBondContact O-N 3.28Å; C81-L84 CarbonylContact O-C 3.59Å; C81-L84 PolarHBondContact O-N 3.14Å; L84-K86 HydrophobicContact CB-CD 4.12Å; L84-K86 HydrophobicContact CB-CG 4.12Å; L84-K86 HydrophobicContact CD1-CD 4.2Å; L84-K86 PolarHBondContact O-N 3.36Å
85G85Confident86.9Confident73 Ų7377.9 Ų77.975%0.75342%0.42SS*.THydrogen-bonded Turntrans66.58.9-173.600000115.1C81 M82C81-G85 PolarHBondContact O-N 3.41Å; M82-G85 PolarHBondContact O-N 3.34Å
86K86.9Confident85.1Confident51 Ų5182 Ų8222%0.22243%0.428CS..  trans-87.9154.7178.6-62.8174.1-177.2-177.10109.3C81 L84 V133 E163C81-K86 CarbonylContact C-O 3.6Å; C81-K86 WeakPolarHBondContact CB-O 3.38Å; C81-K86 PolarHBondContact O-N 3.04Å; C81-K86 VanDerWaalsContact O-O 3.06Å; L84-K86 HydrophobicContact CB-CD 4.12Å; L84-K86 HydrophobicContact CB-CG 4.12Å; L84-K86 HydrophobicContact CD1-CD 4.2Å; L84-K86 PolarHBondContact O-N 3.36Å; K86-V133 HydrophobicContact CB-CG1 3.98Å; K86-V133 HydrophobicContact CD-CG1 4.35Å; K86-E163 IonicContact NZ-OE1 3.9Å; K86-E163 PolarHBondContact NZ-OE1 3.39Å; K86-E163 IonicContact NZ-OE2 2.7Å; K86-E163 PolarHBondContact NZ-OE2 3.34Å
87K87.7Confident83.3Confident173 Ų17382.9 Ų82.975%0.75244%0.443SS*.  trans-117.2126.3174.3-176.6-180176-175.40110.8
88P90.9Very high81.2Confident20 Ų2094.7 Ų94.713%0.1349%0.488CS..EExtended strand (participates in β ladder)trans-78.6136.2176.329.3-29.8000111.4L77 N78 C81 Y90 L131 S132 V133L77-P88 HydrophobicContact CD2-CB 4.04Å; N78-P88 WeakPolarHBondContact OD1-CG 3.31Å; C81-P88 HydrophobicContact CB-CG 4.33Å; P88-Y90 HydrophobicContact CB-CE2 4.25Å; P88-L131 HydrophobicContact CB-CD1 3.76Å; P88-S132 WeakPolarHBondContact CA-O 3.39Å; P88-V133 HydrophobicContact CB-CG2 4.01Å
89M90.3Very high79.2Confident107 Ų10799 Ų9953%0.52751%0.508SS..EExtended strand (participates in β ladder)trans-126.5115.7179.8-170.671.6-94.900110.8L131 S132M89-L131 CarbonylContact O-C 3.51Å; M89-L131 WeakPolarHBondContact O-CA 3.37Å; M89-S132 PolarHBondContact N-O 3.32Å; M89-S132 PolarHBondContact O-N 2.92Å
90Y92.3Very high76.9Confident47 Ų47104.9 Ų104.918%0.18453%0.525CS..EExtended strand (participates in β ladder)trans-99.4127.3179.8-58.2-95.5000111.2T74 L77 P88 V129 E130 L131 K149T74-Y90 HydrophobicContact CG2-CE1 4.39Å; L77-Y90 WeakPolarHBondContact CD2-OH 3.33Å; P88-Y90 HydrophobicContact CB-CE2 4.25Å; Y90-V129 HydrophobicContact CD1-CG1 4.05Å; Y90-E130 CarbonylContact C-O 3.59Å; Y90-E130 WeakPolarHBondContact CA-O 3.2Å; Y90-L131 HydrophobicContact CD1-CB 4.1Å; Y90-L131 HydrophobicContact CD1-CD1 3.93Å; Y90-L131 HydrophobicContact CD1-CG 4.41Å; Y90-L131 HydrophobicContact CD2-CD1 4.3Å; Y90-L131 HydrophobicContact CE1-CB 4.26Å; Y90-L131 HydrophobicContact CE1-CD1 3.76Å; Y90-L131 HydrophobicContact CE1-CD2 3.96Å; Y90-L131 HydrophobicContact CE1-CG 4.2Å; Y90-L131 HydrophobicContact CE2-CD1 4.12Å; Y90-L131 HydrophobicContact CG-CD1 4.2Å; Y90-K149 HydrophobicContact CD1-CB 4.44Å; Y90-K149 HydrophobicContact CD1-CG 4.14Å; Y90-K149 HydrophobicContact CE1-CB 4.44Å
91K91.9Very high74.7Confident109 Ų109107.1 Ų107.147%0.47454%0.543SS..EExtended strand (participates in β ladder)trans-116.7123.8170.8-62.2175-173.1162.30109.5V129 E130K91-V129 CarbonylContact O-C 3.58Å; K91-V129 WeakPolarHBondContact O-CA 3.36Å; K91-E130 HydrophobicContact CB-CB 4.41Å; K91-E130 PolarHBondContact N-O 2.97Å; K91-E130 IonicContact NZ-OE1 3.06Å; K91-E130 PolarHBondContact NZ-OE1 2.88Å; K91-E130 PolarHBondContact O-N 3.1Å
92P88Confident72.8Confident89 Ų89113.5 Ų113.558%0.57858%0.583SS**EExtended strand (participates in β ladder)trans-68.2141.6168.430.5-32.6000109.8
93V86.2Confident70.6Confident50 Ų50114.6 Ų114.630%0.30358%0.579SS.*EExtended strand (participates in β ladder)trans-113.4115175.7-179.50000107.6Q128 E130V93-Q128 HydrophobicContact CB-CB 4.13Å; V93-Q128 HydrophobicContact CB-CG 4.12Å; V93-Q128 HydrophobicContact CG2-CG 4.48Å; V93-Q128 PolarHBondContact N-O 3.22Å; V93-E130 HydrophobicContact CG2-CB 4.06Å
94D74.4Confident68.7Low102 Ų102112.6 Ų112.655%0.54558%0.578SS.*  trans-76.8130.3-178.9-76.4-40000111.2Y96 S97 R145D94-Y96 PolarHBondContact O-N 3.41Å; D94-S97 PolarHBondContact O-N 3.04Å; D94-R145 IonicContact OD1-NH2 3.33Å
95P60.3Low67Low79 Ų79119.2 Ų119.251%0.51360%0.599SS.*THydrogen-bonded Turntrans-66.4-12.1-172.324.3-33.3000114.6
96Y54.9Low65.1Low167 Ų167122.3 Ų122.366%0.65560%0.599SS**THydrogen-bonded Turntrans-92.1-2.8-178.1-81-84.6000115.3D94 R98 M99D94-Y96 PolarHBondContact O-N 3.41Å; Y96-R98 PolarHBondContact O-N 3.3Å; Y96-M99 PolarHBondContact O-N 3.04Å
97S54.5Low63Low100 Ų100127.5 Ų127.570%0.69963%0.626SS**THydrogen-bonded Turntrans-63.2-9.4-174.6-166.50000115.4D94D94-S97 PolarHBondContact O-N 3.04Å
98R49Very low60.9Low248 Ų248130.9 Ų130.994%0.93663%0.634SS**THydrogen-bonded Turntrans-94.22.5172.5-87.6-150.7-73.7-159.1-1.6115.3Y96Y96-R98 PolarHBondContact O-N 3.3Å
99M48.9Very low58.4Low156 Ų156134 Ų13477%0.76867%0.669SS**  trans-112.455.7172.1-70-136.1120.600112.4Y96 S101Y96-M99 PolarHBondContact O-N 3.04Å; M99-S101 PolarHBondContact O-N 3.07Å
100Q41.7Very low56.1Low184 Ų184132.6 Ų132.686%0.8668%0.682SS**  trans-73.181.7153.8-79.7-173.1-29.500108.6
101S41Very low53.8Low79 Ų79134.7 Ų134.755%0.55271%0.709SS**  trans-84.3117.2171.2-161.50000109.2M99 Y103M99-S101 PolarHBondContact O-N 3.07Å; S101-Y103 VanDerWaalsContact C-N 3.28Å; S101-Y103 PolarHBondContact O-N 3.19Å; S101-Y103 VanDerWaalsContact OG-CD2 3.23Å; S101-Y103 WeakPolarHBondContact OG-CD2 3.43Å; S101-Y103 VanDerWaalsContact OG-CE2 3.25Å; S101-Y103 WeakPolarHBondContact OG-CE2 3.32Å
102T49.1Very low51.4Low135 Ų135140.1 Ų140.183%0.82873%0.728SS**  trans-77.271.9-177.551.40000111.5
103Y42.2Very low49.8Very low183 Ų183141.1 Ų141.172%0.71874%0.735SS**  trans-100.199.9172-82.7-76.6000111.7S101S101-Y103 VanDerWaalsContact C-N 3.28Å; S101-Y103 PolarHBondContact O-N 3.19Å; S101-Y103 VanDerWaalsContact OG-CD2 3.23Å; S101-Y103 WeakPolarHBondContact OG-CD2 3.43Å; S101-Y103 VanDerWaalsContact OG-CE2 3.25Å; S101-Y103 WeakPolarHBondContact OG-CE2 3.32Å
104N45.8Very low48Very low150 Ų150144.8 Ų144.880%0.80276%0.76SS**  trans-65.9130.5155.5-91-72.6000108.7
105Y45.3Very low46.7Very low201 Ų201150.4 Ų150.479%0.78877%0.773SS**  trans-123.386.8168.6-113-86.7000110
106N46.5Very low46Very low139 Ų139156.6 Ų156.674%0.74379%0.788SS**  trans-95.3155154.3-86.2-35.2000108.4
107M42.5Very low45.2Very low159 Ų159156.9 Ų156.978%0.78379%0.793SS**  trans76.3122.8-172.6-47.2-54.3171.900113.6
108R43Very low44.6Very low245 Ų245161.2 Ų161.293%0.92580%0.795SS**  cis89.296.532.2-164-172.7-150.3-123.26113.7
109G37.9Very low44.7Very low84 Ų84153.3 Ų153.387%0.86678%0.776SS**  trans105144.215400000116.4
110G41.7Very low44.5Very low78 Ų78155 Ų15580%0.80478%0.779SS**  trans115.990.2158.500000117.8
111A44.1Very low45Very low91 Ų91151.7 Ų151.775%0.75277%0.774SS**  trans28.4127.1135.200000122.5
112Y43.2Very low45.9Very low223 Ų223153.2 Ų153.288%0.87578%0.78SS**  trans64.8134.2160-75.2-83.1000120.1
113P52.5Low46.4Very low111 Ų111151.5 Ų151.572%0.72177%0.771SS**PPolyproline II helixtrans-88.3135.3174.734.6-31.7000111.9R115P113-R115 PolarHBondContact O-N 3.46Å
114P48.8Very low47.3Very low126 Ų126148.1 Ų148.182%0.81877%0.772SS**PPolyproline II helixtrans-74.2126.4164.929.9-31.1000110.1
115R47.9Very low48.4Very low220 Ų220145 Ų14583%0.8376%0.755SS**PPolyproline II helixtrans-85.8155.7160.5-86.2-78.1-175.5165.4-0.7109.1P113P113-R115 PolarHBondContact O-N 3.46Å
116Y44.7Very low50.2Low209 Ų209140.1 Ų140.182%0.8274%0.741SS**  trans78.9113.8-179.8-57.4-79.5000113.7
117F37.8Very low52.1Low173 Ų173137.1 Ų137.176%0.75972%0.72SS**  102.9133.282.4-164.6-145000107.4
118Y43.7Very low54.5Low191 Ų191132.7 Ų132.775%0.74970%0.697SS**  cis-129.7-170.934.5-126.4-108.7000110.4
119P50.4Low56.9Low83 Ų83121.1 Ų121.154%0.53965%0.654SS.*  trans-117163.5-155.140.6-30.2000115.3
120F44.6Very low59.5Low190 Ų190119.4 Ų119.483%0.83362%0.624SS**  trans-120124151.3-75.9-86.7000108.5V122F120-V122 VanDerWaalsContact C-N 3.33Å; F120-V122 PolarHBondContact O-N 3.27Å
121P52.3Low62Low115 Ų115115.7 Ų115.775%0.74759%0.585SS**  trans-62.1104.1162.526.8-30.5000106.1P123P121-P123 WeakPolarHBondContact O-CD 3.36Å
122V59.3Low64.3Low111 Ų111112.9 Ų112.967%0.67356%0.56SS**  trans-58.5112.5179.6-176.20000106.2F120F120-V122 VanDerWaalsContact C-N 3.33Å; F120-V122 PolarHBondContact O-N 3.27Å
123P60.7Low66.5Low99 Ų99102.3 Ų102.364%0.64352%0.519SS*.  trans-62.1147.5-173.424.4-32.8000108.9P121 L125P121-P123 WeakPolarHBondContact O-CD 3.36Å; P123-L125 PolarHBondContact O-N 3.38Å; P123-L125 VanDerWaalsContact O-N 3.15Å
124P61.2Low67.9Low113 Ų11399.5 Ų99.573%0.73451%0.51SS*.  trans-48.3126.3-177.3-28.634.6000110.7L126P124-L126 VanDerWaalsContact C-N 3.29Å; P124-L126 PolarHBondContact O-N 3.11Å
125L69.1Low69.5Low85 Ų8596.8 Ų96.845%0.44551%0.505SS..  trans-69.186.7-169.1-163.3117.2000110.7P123 Y127P123-L125 PolarHBondContact O-N 3.38Å; P123-L125 VanDerWaalsContact O-N 3.15Å; L125-Y127 HydrophobicContact CD2-CD1 4.26Å; L125-Y127 HydrophobicContact CD2-CD2 4.46Å; L125-Y127 HydrophobicContact CD2-CE1 3.63Å; L125-Y127 HydrophobicContact CD2-CE2 3.87Å; L125-Y127 VanDerWaalsContact CD2-CZ 3.41Å; L125-Y127 PolarHBondContact O-N 2.63Å
126L81.8Confident71.4Confident97 Ų9789.5 Ų89.551%0.50848%0.481SS..  trans-76.6108.1179-74.4169.6000108.9P124P124-L126 VanDerWaalsContact C-N 3.29Å; P124-L126 PolarHBondContact O-N 3.11Å
127Y86.9Confident73.7Confident77 Ų7786 Ų8630%0.30247%0.472SS..EExtended strand (participates in β ladder)trans-68.5134170.4-63.9-82.4000109.2L125 K141 G142 K143 T144 R145 A148L125-Y127 HydrophobicContact CD2-CD1 4.26Å; L125-Y127 HydrophobicContact CD2-CD2 4.46Å; L125-Y127 HydrophobicContact CD2-CE1 3.63Å; L125-Y127 HydrophobicContact CD2-CE2 3.87Å; L125-Y127 VanDerWaalsContact CD2-CZ 3.41Å; L125-Y127 PolarHBondContact O-N 2.63Å; Y127-K141 CarbonylContact O-C 3.57Å; Y127-K141 WeakPolarHBondContact O-CA 3.4Å; Y127-G142 PolarHBondContact N-O 3.35Å; Y127-G142 PolarHBondContact O-N 3.06Å; Y127-K143 WeakPolarHBondContact CE2-O 3.41Å; Y127-T144 VanDerWaalsContact CD2-C 3.45Å; Y127-T144 VanDerWaalsContact CD2-CA 3.45Å; Y127-R145 HydrophobicContact CD1-CG 3.31Å; Y127-R145 HydrophobicContact CD2-CG 4.44Å; Y127-R145 HydrophobicContact CE1-CG 3.68Å; Y127-R145 HydrophobicContact CG-CG 3.73Å; Y127-A148 VanDerWaalsContact O-CB 3.27Å; Y127-A148 WeakPolarHBondContact O-CB 3.34Å
128Q92.3Very high76.3Confident65 Ų6578.6 Ų78.630%0.30444%0.439SS..EExtended strand (participates in β ladder)trans-112.4142173.7-174.9167-42.400110.2V93 G140 K141V93-Q128 HydrophobicContact CB-CB 4.13Å; V93-Q128 HydrophobicContact CB-CG 4.12Å; V93-Q128 HydrophobicContact CG2-CG 4.48Å; V93-Q128 PolarHBondContact N-O 3.22Å; Q128-G140 CarbonylContact C-O 3.58Å; Q128-G140 WeakPolarHBondContact CA-O 3.44Å; Q128-K141 HydrophobicContact CG-CG 4.38Å; Q128-K141 VanDerWaalsContact OE1-CE 3.29Å
129V93.2Very high78.8Confident3 Ų374 Ų742%0.01843%0.427CS..EExtended strand (participates in β ladder)trans-134.3130.7176.9173.50000108.6Y90 K91 N139 G140 A148 K149Y90-V129 HydrophobicContact CD1-CG1 4.05Å; K91-V129 CarbonylContact O-C 3.58Å; K91-V129 WeakPolarHBondContact O-CA 3.36Å; V129-N139 WeakPolarHBondContact O-CA 3.49Å; V129-G140 PolarHBondContact N-O 3.48Å; V129-G140 PolarHBondContact O-N 3.14Å; V129-A148 HydrophobicContact CB-CB 4.22Å; V129-A148 HydrophobicContact CG2-CB 3.71Å; V129-K149 HydrophobicContact CG1-CG 4.05Å; V129-K149 HydrophobicContact CG2-CG 4.09Å
130E93.5Very high80.8Confident48 Ų4870 Ų7022%0.22440%0.402CS..EExtended strand (participates in β ladder)trans-93.2134167.9-175.3-162.4124.800108.5Y90 K91 V93 F138Y90-E130 CarbonylContact C-O 3.59Å; Y90-E130 WeakPolarHBondContact CA-O 3.2Å; K91-E130 HydrophobicContact CB-CB 4.41Å; K91-E130 PolarHBondContact N-O 2.97Å; K91-E130 IonicContact NZ-OE1 3.06Å; K91-E130 PolarHBondContact NZ-OE1 2.88Å; K91-E130 PolarHBondContact O-N 3.1Å; V93-E130 HydrophobicContact CG2-CB 4.06Å; E130-F138 CarbonylContact C-O 3.59Å; E130-F138 WeakPolarHBondContact CA-O 3.24Å
131L93.6Very high83.1Confident0 Ų066.3 Ų66.30%039%0.385CS..EExtended strand (participates in β ladder)trans-121.5122.7175.7163.162.3000108.2L77 P88 M89 Y90 V133 Q137 F138 A152 A153 A156L77-L131 HydrophobicContact CD2-CD1 4.19Å; L77-L131 HydrophobicContact CD2-CD2 3.49Å; L77-L131 VanDerWaalsContact CD2-CD2 3.49Å; L77-L131 HydrophobicContact CD2-CG 4.43Å; P88-L131 HydrophobicContact CB-CD1 3.76Å; M89-L131 CarbonylContact O-C 3.51Å; M89-L131 WeakPolarHBondContact O-CA 3.37Å; Y90-L131 HydrophobicContact CD1-CB 4.1Å; Y90-L131 HydrophobicContact CD1-CD1 3.93Å; Y90-L131 HydrophobicContact CD1-CG 4.41Å; Y90-L131 HydrophobicContact CD2-CD1 4.3Å; Y90-L131 HydrophobicContact CE1-CB 4.26Å; Y90-L131 HydrophobicContact CE1-CD1 3.76Å; Y90-L131 HydrophobicContact CE1-CD2 3.96Å; Y90-L131 HydrophobicContact CE1-CG 4.2Å; Y90-L131 HydrophobicContact CE2-CD1 4.12Å; Y90-L131 HydrophobicContact CG-CD1 4.2Å; L131-V133 HydrophobicContact CD1-CG2 3.83Å; L131-V133 HydrophobicContact CD2-CG2 4.38Å; L131-V133 HydrophobicContact CG-CG2 4Å; L131-Q137 CarbonylContact O-C 3.57Å; L131-Q137 WeakPolarHBondContact O-CA 3.29Å; L131-F138 HydrophobicContact CB-CB 4.42Å; L131-F138 HydrophobicContact CD2-CD2 4.38Å; L131-F138 HydrophobicContact CG-CD2 4.26Å; L131-F138 PolarHBondContact N-O 2.98Å; L131-F138 PolarHBondContact O-N 3.22Å; L131-A152 HydrophobicContact CB-CB 3.88Å; L131-A152 HydrophobicContact CD2-CB 4.22Å; L131-A152 WeakPolarHBondContact CD2-O 3.26Å; L131-A153 HydrophobicContact CD2-CB 4.49Å; L131-A156 HydrophobicContact CD2-CB 3.59Å
132S92.4Very high84.9Confident32 Ų3261.2 Ų61.222%0.22435%0.354CS..EExtended strand (participates in β ladder)trans-106.2133.7170.8-173.70000111.5P88 M89 Q136P88-S132 WeakPolarHBondContact CA-O 3.39Å; M89-S132 PolarHBondContact N-O 3.32Å; M89-S132 PolarHBondContact O-N 2.92Å; S132-Q136 CarbonylContact C-O 3.54Å; S132-Q136 VanDerWaalsContact CA-O 3.24Å; S132-Q136 WeakPolarHBondContact CA-O 3.45Å; S132-Q136 PolarHBondContact OG-O 3.05Å
133V90.3Very high86.3Confident0 Ų064.8 Ų64.80%036%0.36CS..EExtended strand (participates in β ladder)trans-137.6113.3174.9-170.60000109L77 C81 K86 P88 L131 G135 Q136 F138 L160L77-V133 HydrophobicContact CD2-CG2 4.39Å; C81-V133 VanDerWaalsContact SG-CG1 3.53Å; K86-V133 HydrophobicContact CB-CG1 3.98Å; K86-V133 HydrophobicContact CD-CG1 4.35Å; P88-V133 HydrophobicContact CB-CG2 4.01Å; L131-V133 HydrophobicContact CD1-CG2 3.83Å; L131-V133 HydrophobicContact CD2-CG2 4.38Å; L131-V133 HydrophobicContact CG-CG2 4Å; V133-G135 VanDerWaalsContact C-N 3.27Å; V133-G135 PolarHBondContact O-N 3.08Å; V133-G135 VanDerWaalsContact O-N 3.16Å; V133-Q136 PolarHBondContact N-O 3.26Å; V133-Q136 PolarHBondContact O-N 3.48Å; V133-F138 HydrophobicContact CB-CE2 4.29Å; V133-F138 HydrophobicContact CG2-CE2 4.24Å; V133-L160 HydrophobicContact CB-CD1 4.1Å; V133-L160 HydrophobicContact CG1-CD1 3.79Å; V133-L160 HydrophobicContact CG2-CD1 4.31Å
134G80.6Confident87.7Confident53 Ų5363.6 Ų63.655%0.54635%0.351SS..THydrogen-bonded Turntrans54.536.9172.600000115.3
135G82.8Confident89Confident69 Ų6965 Ų6571%0.71134%0.342SS*.THydrogen-bonded Turntrans94.4-22.7-17800000114.8V133V133-G135 VanDerWaalsContact C-N 3.27Å; V133-G135 PolarHBondContact O-N 3.08Å; V133-G135 VanDerWaalsContact O-N 3.16Å
136Q88Confident90Very high67 Ų6766.8 Ų66.831%0.31335%0.348SS..EExtended strand (participates in β ladder)trans-79.7149.2173.6-59.7-177.512.600110.7S132 V133 F138S132-Q136 CarbonylContact C-O 3.54Å; S132-Q136 VanDerWaalsContact CA-O 3.24Å; S132-Q136 WeakPolarHBondContact CA-O 3.45Å; S132-Q136 PolarHBondContact OG-O 3.05Å; V133-Q136 PolarHBondContact N-O 3.26Å; V133-Q136 PolarHBondContact O-N 3.48Å; Q136-F138 HydrophobicContact CB-CE2 3.81Å; Q136-F138 HydrophobicContact CB-CZ 3.68Å; Q136-F138 VanDerWaalsContact OE1-CZ 3.3Å
137Q92.9Very high90.5Very high136 Ų13664 Ų6464%0.63634%0.339SS*.EExtended strand (participates in β ladder)trans-127134179.5-64.8179.319.800110.6L131L131-Q137 CarbonylContact O-C 3.57Å; L131-Q137 WeakPolarHBondContact O-CA 3.29Å
138F93.4Very high90.8Very high17 Ų1760.4 Ų60.48%0.07533%0.325CS..EExtended strand (participates in β ladder)trans-129.4132-176.7-50.3-82.4000109.8E130 L131 V133 Q136 A156 I159E130-F138 CarbonylContact C-O 3.59Å; E130-F138 WeakPolarHBondContact CA-O 3.24Å; L131-F138 HydrophobicContact CB-CB 4.42Å; L131-F138 HydrophobicContact CD2-CD2 4.38Å; L131-F138 HydrophobicContact CG-CD2 4.26Å; L131-F138 PolarHBondContact N-O 2.98Å; L131-F138 PolarHBondContact O-N 3.22Å; V133-F138 HydrophobicContact CB-CE2 4.29Å; V133-F138 HydrophobicContact CG2-CE2 4.24Å; Q136-F138 HydrophobicContact CB-CE2 3.81Å; Q136-F138 HydrophobicContact CB-CZ 3.68Å; Q136-F138 VanDerWaalsContact OE1-CZ 3.3Å; F138-A156 HydrophobicContact CB-CB 4.45Å; F138-A156 HydrophobicContact CD1-CB 4.22Å; F138-A156 HydrophobicContact CD2-CB 3.44Å; F138-A156 VanDerWaalsContact CD2-CB 3.44Å; F138-A156 HydrophobicContact CE1-CB 4.32Å; F138-A156 HydrophobicContact CE2-CB 3.55Å; F138-A156 HydrophobicContact CG-CB 3.77Å; F138-A156 HydrophobicContact CZ-CB 3.98Å; F138-I159 HydrophobicContact CD1-CD1 4.12Å; F138-I159 HydrophobicContact CE1-CB 3.95Å; F138-I159 HydrophobicContact CE1-CD1 3.65Å; F138-I159 HydrophobicContact CE1-CG1 4.35Å; F138-I159 HydrophobicContact CE1-CG2 4.08Å; F138-I159 HydrophobicContact CZ-CB 4.4Å; F138-I159 HydrophobicContact CZ-CG2 4.32Å
139N94.7Very high90.8Very high93 Ų9361.9 Ų61.950%0.49733%0.331SS..EExtended strand (participates in β ladder)trans-101.3127.5175.657.356.9000111.3V129 K155V129-N139 WeakPolarHBondContact O-CA 3.49Å; N139-K155 WeakPolarHBondContact O-CD 3.34Å; N139-K155 PolarHBondContact O-NZ 2.69Å
140G93.2Very high90.9Very high0 Ų064.4 Ų64.40%034%0.342CS..EExtended strand (participates in β ladder)trans-110.4143.5173.500000111.7Q128 V129 A148 D151Q128-G140 CarbonylContact C-O 3.58Å; Q128-G140 WeakPolarHBondContact CA-O 3.44Å; V129-G140 PolarHBondContact N-O 3.48Å; V129-G140 PolarHBondContact O-N 3.14Å; G140-A148 WeakPolarHBondContact CA-O 3.41Å; G140-D151 WeakPolarHBondContact CA-OD2 3.49Å
141K93.4Very high91Very high112 Ų11264.5 Ų64.549%0.48734%0.344SS..EExtended strand (participates in β ladder)trans-128.4144.3176.9-64.8-176.9-178.9179.80109.9Y127 Q128 D151Y127-K141 CarbonylContact O-C 3.57Å; Y127-K141 WeakPolarHBondContact O-CA 3.4Å; Q128-K141 HydrophobicContact CG-CG 4.38Å; Q128-K141 VanDerWaalsContact OE1-CE 3.29Å; K141-D151 PolarHBondContact N-OD2 3.36Å
142G90.8Very high91.1Very high9 Ų964.5 Ų64.59%0.09334%0.344CS..EExtended strand (participates in β ladder)trans-169.1162.2177.700000114.6Y127 T144Y127-G142 PolarHBondContact N-O 3.35Å; Y127-G142 PolarHBondContact O-N 3.06Å; G142-T144 PolarHBondContact O-N 2.87Å
143K88.3Confident91.2Very high186 Ų18663 Ų6381%0.80933%0.333SS*.SBendtrans-64.4-16.8176-60.9-178.5-178.8179.90113.2Y127Y127-K143 WeakPolarHBondContact CE2-O 3.41Å
144T90.1Very high91.4Very high73 Ų7364.4 Ų64.445%0.44835%0.345SS..SBendtrans-134.6156.9173.371.10000110.4Y127 G142 Q146 A147 A148Y127-T144 VanDerWaalsContact CD2-C 3.45Å; Y127-T144 VanDerWaalsContact CD2-CA 3.45Å; G142-T144 PolarHBondContact O-N 2.87Å; T144-Q146 PolarHBondContact O-N 3.01Å; T144-Q146 VanDerWaalsContact O-N 3.15Å; T144-A147 PolarHBondContact O-N 2.91Å; T144-A147 VanDerWaalsContact O-N 3.15Å; T144-A147 WeakPolarHBondContact OG1-CB 3.18Å; T144-A147 PolarHBondContact OG1-N 2.89Å; T144-A148 PolarHBondContact O-N 2.87Å
145R87.6Confident92Very high144 Ų14465 Ų6554%0.54333%0.333SS..Hα-helixtrans-55-30.3173.2-70.7-177.4166-178.1-7.4112.9D94 Y127 K149D94-R145 IonicContact OD1-NH2 3.33Å; Y127-R145 HydrophobicContact CD1-CG 3.31Å; Y127-R145 HydrophobicContact CD2-CG 4.44Å; Y127-R145 HydrophobicContact CE1-CG 3.68Å; Y127-R145 HydrophobicContact CG-CG 3.73Å; R145-K149 WeakPolarHBondContact O-CG 3.47Å; R145-K149 PolarHBondContact O-N 3.47Å
146Q90.5Very high92.5Very high121 Ų12161.8 Ų61.857%0.56530%0.299SS*.Hα-helixtrans-78.3-42.5177.6-173.8173.5-0.100112T144 A148 K149 H150T144-Q146 PolarHBondContact O-N 3.01Å; T144-Q146 VanDerWaalsContact O-N 3.15Å; Q146-A148 VanDerWaalsContact C-N 3.3Å; Q146-A148 PolarHBondContact O-N 3.37Å; Q146-K149 WeakPolarHBondContact O-CB 3.48Å; Q146-K149 PolarHBondContact O-N 3.46Å; Q146-K149 VanDerWaalsContact O-N 3.15Å; Q146-H150 WeakPolarHBondContact CG-NE2 3.46Å; Q146-H150 PolarHBondContact NE2-NE2 3.4Å; Q146-H150 PolarHBondContact O-CD2 2.95Å; Q146-H150 VanDerWaalsContact O-CD2 3.25Å; Q146-H150 PolarHBondContact O-N 2.71Å
147A91.6Very high92.7Very high40 Ų4058.9 Ų58.933%0.33129%0.286SS..Hα-helixtrans-59.4-41.8173.300000111.5T144 K149 H150 D151T144-A147 PolarHBondContact O-N 2.91Å; T144-A147 VanDerWaalsContact O-N 3.15Å; T144-A147 WeakPolarHBondContact OG1-CB 3.18Å; T144-A147 PolarHBondContact OG1-N 2.89Å; A147-K149 VanDerWaalsContact C-N 3.34Å; A147-K149 PolarHBondContact O-N 3.5Å; A147-H150 PolarHBondContact O-N 2.97Å; A147-D151 PolarHBondContact O-N 2.52Å
148A93.3Very high92.5Very high0 Ų061.1 Ų61.10%029%0.288CS..Hα-helixtrans-62.2-36.517500000113.1Y127 V129 G140 T144 Q146 A152Y127-A148 VanDerWaalsContact O-CB 3.27Å; Y127-A148 WeakPolarHBondContact O-CB 3.34Å; V129-A148 HydrophobicContact CB-CB 4.22Å; V129-A148 HydrophobicContact CG2-CB 3.71Å; G140-A148 WeakPolarHBondContact CA-O 3.41Å; T144-A148 PolarHBondContact O-N 2.87Å; Q146-A148 VanDerWaalsContact C-N 3.3Å; Q146-A148 PolarHBondContact O-N 3.37Å; A148-A152 WeakPolarHBondContact O-CB 3.3Å; A148-A152 PolarHBondContact O-N 2.97Å
149K93.8Very high92.1Very high97 Ų9764.6 Ų64.642%0.42231%0.307SS..Hα-helixtrans-66.1-41.9172.4-76.6177.8179.6-175.30112.5T74 Y90 V129 R145 Q146 A147 A152 A153T74-K149 HydrophobicContact CG2-CB 4.36Å; Y90-K149 HydrophobicContact CD1-CB 4.44Å; Y90-K149 HydrophobicContact CD1-CG 4.14Å; Y90-K149 HydrophobicContact CE1-CB 4.44Å; V129-K149 HydrophobicContact CG1-CG 4.05Å; V129-K149 HydrophobicContact CG2-CG 4.09Å; R145-K149 WeakPolarHBondContact O-CG 3.47Å; R145-K149 PolarHBondContact O-N 3.47Å; Q146-K149 WeakPolarHBondContact O-CB 3.48Å; Q146-K149 PolarHBondContact O-N 3.46Å; Q146-K149 VanDerWaalsContact O-N 3.15Å; A147-K149 VanDerWaalsContact C-N 3.34Å; A147-K149 PolarHBondContact O-N 3.5Å; K149-A152 PolarHBondContact O-N 3.45Å; K149-A153 WeakPolarHBondContact O-CB 3.39Å; K149-A153 PolarHBondContact O-N 3.27Å
150H95.1Very high91.5Very high55 Ų5560.5 Ų60.526%0.25529%0.285SS..Hα-helixtrans-69.2-38.8178.6-66.8-55.3000112.2T72 T74 Q146 A147 A153 A154T72-H150 WeakPolarHBondContact CB-CE1 3.35Å; T72-H150 VanDerWaalsContact CG2-CE1 3.49Å; T72-H150 WeakPolarHBondContact CG2-CE1 3.17Å; T72-H150 PolarHBondContact OG1-CE1 2.9Å; T74-H150 WeakPolarHBondContact CG2-ND1 3.2Å; T74-H150 PolarHBondContact OG1-CE1 3.49Å; T74-H150 PolarHBondContact OG1-ND1 3.26Å; T74-H150 VanDerWaalsContact OG1-ND1 3.07Å; Q146-H150 WeakPolarHBondContact CG-NE2 3.46Å; Q146-H150 PolarHBondContact NE2-NE2 3.4Å; Q146-H150 PolarHBondContact O-CD2 2.95Å; Q146-H150 VanDerWaalsContact O-CD2 3.25Å; Q146-H150 PolarHBondContact O-N 2.71Å; A147-H150 PolarHBondContact O-N 2.97Å; H150-A153 PolarHBondContact O-N 3.17Å; H150-A154 WeakPolarHBondContact O-CB 3.45Å; H150-A154 PolarHBondContact O-N 2.67Å
151D94.9Very high91Very high51 Ų5165.4 Ų65.427%0.27331%0.308SS..Hα-helixtrans-63-43.917317849000111.8G140 K141 A147 A153 A154 K155G140-D151 WeakPolarHBondContact CA-OD2 3.49Å; K141-D151 PolarHBondContact N-OD2 3.36Å; A147-D151 PolarHBondContact O-N 2.52Å; D151-A153 VanDerWaalsContact C-N 3.34Å; D151-A153 PolarHBondContact O-N 3.42Å; D151-A154 PolarHBondContact O-N 3.37Å; D151-K155 WeakPolarHBondContact O-CD 3.45Å; D151-K155 WeakPolarHBondContact O-CG 3.3Å; D151-K155 PolarHBondContact O-N 3.07Å; D151-K155 VanDerWaalsContact O-N 3.08Å; D151-K155 VanDerWaalsContact OD1-CE 3.28Å; D151-K155 WeakPolarHBondContact OD1-CE 3.36Å; D151-K155 IonicContact OD1-NZ 2.68Å; D151-K155 PolarHBondContact OD1-NZ 3.44Å; D151-K155 IonicContact OD2-NZ 3.39Å; D151-K155 PolarHBondContact OD2-NZ 3.07Å
152A95.4Very high89.9Confident0 Ų066.5 Ų66.50%032%0.319CS..Hα-helixtrans-58.5-45.6173.200000111.6L131 A148 K149 K155 A156L131-A152 HydrophobicContact CB-CB 3.88Å; L131-A152 HydrophobicContact CD2-CB 4.22Å; L131-A152 WeakPolarHBondContact CD2-O 3.26Å; A148-A152 WeakPolarHBondContact O-CB 3.3Å; A148-A152 PolarHBondContact O-N 2.97Å; K149-A152 PolarHBondContact O-N 3.45Å; A152-K155 PolarHBondContact O-N 3.2Å; A152-A156 PolarHBondContact O-N 2.95Å
153A95.5Very high88.6Confident0 Ų069.5 Ų69.50%033%0.33CS..Hα-helixtrans-67.7-39.3-179.700000113.2P73 T74 L77 L131 K149 H150 D151 K155 A156 L157P73-A153 HydrophobicContact CB-CB 4.23Å; T74-A153 HydrophobicContact CG2-CB 3.7Å; L77-A153 HydrophobicContact CB-CB 4.25Å; L77-A153 HydrophobicContact CD2-CB 4.01Å; L131-A153 HydrophobicContact CD2-CB 4.49Å; K149-A153 WeakPolarHBondContact O-CB 3.39Å; K149-A153 PolarHBondContact O-N 3.27Å; H150-A153 PolarHBondContact O-N 3.17Å; D151-A153 VanDerWaalsContact C-N 3.34Å; D151-A153 PolarHBondContact O-N 3.42Å; A153-K155 PolarHBondContact O-N 3.28Å; A153-A156 PolarHBondContact O-N 2.67Å; A153-L157 WeakPolarHBondContact O-CG 3.36Å; A153-L157 PolarHBondContact O-N 3.18Å
154A94.3Very high86.9Confident29 Ų2965.7 Ų65.724%0.2433%0.325CS..Hα-helixtrans-64.1-38.6175.900000112.2P73 H150 D151 L157 R158P73-A154 HydrophobicContact CB-CB 4.13Å; P73-A154 HydrophobicContact CG-CB 4.4Å; H150-A154 WeakPolarHBondContact O-CB 3.45Å; H150-A154 PolarHBondContact O-N 2.67Å; D151-A154 PolarHBondContact O-N 3.37Å; A154-L157 PolarHBondContact O-N 2.96Å; A154-R158 WeakPolarHBondContact O-CG 3.5Å; A154-R158 PolarHBondContact O-N 3.09Å
155K93.5Very high85.1Confident67 Ų6767.7 Ų67.729%0.29134%0.339SS..Hα-helixtrans-64.5-43.8172.7-73.5163.3175.9165.80112.1N139 D151 A152 A153 I159N139-K155 WeakPolarHBondContact O-CD 3.34Å; N139-K155 PolarHBondContact O-NZ 2.69Å; D151-K155 WeakPolarHBondContact O-CD 3.45Å; D151-K155 WeakPolarHBondContact O-CG 3.3Å; D151-K155 PolarHBondContact O-N 3.07Å; D151-K155 VanDerWaalsContact O-N 3.08Å; D151-K155 VanDerWaalsContact OD1-CE 3.28Å; D151-K155 WeakPolarHBondContact OD1-CE 3.36Å; D151-K155 IonicContact OD1-NZ 2.68Å; D151-K155 PolarHBondContact OD1-NZ 3.44Å; D151-K155 IonicContact OD2-NZ 3.39Å; D151-K155 PolarHBondContact OD2-NZ 3.07Å; A152-K155 PolarHBondContact O-N 3.2Å; A153-K155 PolarHBondContact O-N 3.28Å; K155-I159 PolarHBondContact O-N 3.28Å
156A92.1Very high83.2Confident0 Ų065.7 Ų65.70%034%0.344CS..Hα-helixtrans-63.2-41.8176.700000112.2L77 L131 F138 A152 A153 I159 L160L77-A156 HydrophobicContact CD1-CB 3.6Å; L77-A156 HydrophobicContact CD2-CB 4.25Å; L131-A156 HydrophobicContact CD2-CB 3.59Å; F138-A156 HydrophobicContact CB-CB 4.45Å; F138-A156 HydrophobicContact CD1-CB 4.22Å; F138-A156 HydrophobicContact CD2-CB 3.44Å; F138-A156 VanDerWaalsContact CD2-CB 3.44Å; F138-A156 HydrophobicContact CE1-CB 4.32Å; F138-A156 HydrophobicContact CE2-CB 3.55Å; F138-A156 HydrophobicContact CG-CB 3.77Å; F138-A156 HydrophobicContact CZ-CB 3.98Å; A152-A156 PolarHBondContact O-N 2.95Å; A153-A156 PolarHBondContact O-N 2.67Å; A156-I159 PolarHBondContact O-N 3.42Å; A156-L160 HydrophobicContact CB-CD1 4.34Å; A156-L160 WeakPolarHBondContact O-CB 3.37Å; A156-L160 VanDerWaalsContact O-CG 3.24Å; A156-L160 WeakPolarHBondContact O-CG 3.37Å; A156-L160 PolarHBondContact O-N 3.18Å
157L91.7Very high80.9Confident7 Ų768.8 Ų68.84%0.03736%0.359CS..Hα-helixtrans-58.1-50.7176.3-81.6167.3000112.6P73 E76 L77 L80 A153 A154 I159 L160 Q161P73-L157 HydrophobicContact CB-CD1 4.16Å; P73-L157 WeakPolarHBondContact O-CD1 3.48Å; E76-L157 HydrophobicContact CB-CD1 3.95Å; E76-L157 HydrophobicContact CB-CD2 4.35Å; E76-L157 HydrophobicContact CG-CD1 4.03Å; E76-L157 HydrophobicContact CG-CD2 3.85Å; E76-L157 WeakPolarHBondContact OE2-CD1 3.42Å; L77-L157 HydrophobicContact CB-CD1 4.41Å; L77-L157 HydrophobicContact CB-CD2 4.21Å; L77-L157 HydrophobicContact CB-CG 4.05Å; L77-L157 HydrophobicContact CD1-CD2 4.21Å; L77-L157 HydrophobicContact CD1-CG 4.04Å; L80-L157 HydrophobicContact CB-CD2 4.36Å; L80-L157 HydrophobicContact CD1-CD2 3.86Å; A153-L157 WeakPolarHBondContact O-CG 3.36Å; A153-L157 PolarHBondContact O-N 3.18Å; A154-L157 PolarHBondContact O-N 2.96Å; L157-I159 PolarHBondContact O-N 3.09Å; L157-I159 VanDerWaalsContact O-N 3.1Å; L157-L160 PolarHBondContact O-N 3.4Å; L157-Q161 VanDerWaalsContact O-CB 3.27Å; L157-Q161 WeakPolarHBondContact O-CB 3.36Å; L157-Q161 VanDerWaalsContact O-CG 3.22Å; L157-Q161 WeakPolarHBondContact O-CG 3.25Å; L157-Q161 PolarHBondContact O-N 3.07Å
158R88.6Confident78.3Confident183 Ų18377.7 Ų77.769%0.69138%0.384SS*.Hα-helixtrans-57.2-28.4-179.8-72.2176.3-179.1175.70.5113.8A154 N162A154-R158 WeakPolarHBondContact O-CG 3.5Å; A154-R158 PolarHBondContact O-N 3.09Å; R158-N162 PolarHBondContact O-ND2 2.89Å
159I86.4Confident75.8Confident90 Ų9085 Ų8546%0.46242%0.423SS..Hα-helixtrans-91.6-41.3-178.6-69.2167.8000110.6F138 K155 A156 L157 N162 E163F138-I159 HydrophobicContact CD1-CD1 4.12Å; F138-I159 HydrophobicContact CE1-CB 3.95Å; F138-I159 HydrophobicContact CE1-CD1 3.65Å; F138-I159 HydrophobicContact CE1-CG1 4.35Å; F138-I159 HydrophobicContact CE1-CG2 4.08Å; F138-I159 HydrophobicContact CZ-CB 4.4Å; F138-I159 HydrophobicContact CZ-CG2 4.32Å; K155-I159 PolarHBondContact O-N 3.28Å; A156-I159 PolarHBondContact O-N 3.42Å; L157-I159 PolarHBondContact O-N 3.09Å; L157-I159 VanDerWaalsContact O-N 3.1Å; I159-N162 PolarHBondContact O-N 2.86Å; I159-E163 PolarHBondContact O-N 2.97Å
160L82.5Confident73.3Confident7 Ų789.5 Ų89.54%0.03745%0.445CS..Hα-helixtrans-76.7-21179.6-64.5168.5000114L77 L80 V133 A156 L157 N162 E163L77-L160 HydrophobicContact CD1-CD1 3.81Å; L80-L160 HydrophobicContact CD1-CB 4.25Å; L80-L160 HydrophobicContact CD2-CB 3.77Å; L80-L160 HydrophobicContact CD2-CD1 4.46Å; V133-L160 HydrophobicContact CB-CD1 4.1Å; V133-L160 HydrophobicContact CG1-CD1 3.79Å; V133-L160 HydrophobicContact CG2-CD1 4.31Å; A156-L160 HydrophobicContact CB-CD1 4.34Å; A156-L160 WeakPolarHBondContact O-CB 3.37Å; A156-L160 VanDerWaalsContact O-CG 3.24Å; A156-L160 WeakPolarHBondContact O-CG 3.37Å; A156-L160 PolarHBondContact O-N 3.18Å; L157-L160 PolarHBondContact O-N 3.4Å; L160-N162 VanDerWaalsContact C-N 3.27Å; L160-E163 WeakPolarHBondContact CD2-OE2 3.28Å
161Q80.9Confident70.6Confident103 Ų10392 Ų9248%0.48146%0.464SS..THydrogen-bonded Turntrans-71.5-23.6170.5-75.7171.9-11.600112.4E76 L80 L157E76-Q161 PolarHBondContact OE1-NE2 3.35Å; L80-Q161 HydrophobicContact CD1-CG 3.63Å; L157-Q161 VanDerWaalsContact O-CB 3.27Å; L157-Q161 WeakPolarHBondContact O-CB 3.36Å; L157-Q161 VanDerWaalsContact O-CG 3.22Å; L157-Q161 WeakPolarHBondContact O-CG 3.25Å; L157-Q161 PolarHBondContact O-N 3.07Å
162N71.4Confident67.8Low135 Ų13597.1 Ų97.172%0.72249%0.491SS*.SBendtrans-99.72.2179.7-64.6-14000113R158 I159 L160 P164R158-N162 PolarHBondContact O-ND2 2.89Å; I159-N162 PolarHBondContact O-N 2.86Å; L160-N162 VanDerWaalsContact C-N 3.27Å; N162-P164 WeakPolarHBondContact O-CD 3.44Å
163E62.5Low65.3Low71 Ų71100.8 Ų100.833%0.33253%0.529SS..SBendtrans-72.8118.2174-169.5179.3-178.600108.5K86 I159 L160K86-E163 IonicContact NZ-OE1 3.9Å; K86-E163 PolarHBondContact NZ-OE1 3.39Å; K86-E163 IonicContact NZ-OE2 2.7Å; K86-E163 PolarHBondContact NZ-OE2 3.34Å; I159-E163 PolarHBondContact O-N 2.97Å; L160-E163 WeakPolarHBondContact CD2-OE2 3.28Å
164P53.3Low62.9Low107 Ų107109.3 Ų109.370%0.69556%0.561SS**PPolyproline II helixtrans-60.9139.717825.3-33.3000109.6N162N162-P164 WeakPolarHBondContact O-CD 3.44Å
165P51.8Low60.1Low115 Ų115117 Ų11775%0.74759%0.592SS**PPolyproline II helixtrans-61.8138.1-177.526.2-34000110E167P165-E167 PolarHBondContact O-N 3.02Å
166P47.4Very low57.9Low101 Ų101118 Ų11866%0.65661%0.607SS**PPolyproline II helixtrans-60.2131.2172.426-33.4000109R168P166-R168 PolarHBondContact O-N 3.47Å
167E42.1Very low55.9Low187 Ų187123.3 Ų123.387%0.87463%0.632SS**  trans-55.5101-176.2-169.9170.7-175.200110.7P165P165-E167 PolarHBondContact O-N 3.02Å
168R37.6Very low53.8Low226 Ų226130.9 Ų130.985%0.85367%0.667SS**  trans-88.9107.9172.7-89.8-175.9166171.9-4.8108.2P166 E170P166-R168 PolarHBondContact O-N 3.47Å; R168-E170 PolarHBondContact O-N 2.85Å
169L41.3Very low52.2Low155 Ų155130 Ų13081%0.81267%0.671SS**  trans-50126163.4-65.1172.9000109.4V171L169-V171 PolarHBondContact O-N 3.38Å
170E41.7Very low50.6Low190 Ų190127.6 Ų127.689%0.88866%0.659SS**  trans-68.5114.9-178.8-61.3-172146.700110.4R168R168-E170 PolarHBondContact O-N 2.85Å
171V37.8Very low49.4Very low109 Ų109134.5 Ų134.566%0.66170%0.695SS**  trans-128.3110.4166.7178.60000108.8L169L169-V171 PolarHBondContact O-N 3.38Å
172N36Very low48.5Very low158 Ų158136.9 Ų136.985%0.84571%0.711SS**THydrogen-bonded Turntrans-56.5136179.2-72.5-46.6000112.9
173G42.6Very low48.8Very low76 Ų76134.8 Ų134.878%0.78470%0.696SS**THydrogen-bonded Turntrans84.617144.500000120
174R44.5Very low50.1Low180 Ų180133.8 Ų133.868%0.67970%0.697SS**  trans-106.645.2-179-67.4-166.1-173.9156.92.4116.9S176 E177R174-S176 VanDerWaalsContact C-N 3.33Å; R174-E177 IonicContact NE-OE2 3.4Å
175E36.7Very low51.8Low189 Ų189130.8 Ų130.888%0.88367%0.674SS**SBendtrans-82.7-7.6166.4-70.8-162.3148.300113.8
176S47.2Very low53.8Low88 Ų88127.2 Ų127.262%0.61565%0.648SS**SBendtrans-91.7-11.3-170.5-66.80000115.8R174 N180R174-S176 VanDerWaalsContact C-N 3.33Å; S176-N180 PolarHBondContact O-ND2 3.03Å
177E49Very low55.9Low112 Ų112125.6 Ų125.652%0.52364%0.638SS.*SBendtrans-95.3-35.2-166.8-57.7-165.1128.200113.4R174 N180R174-E177 IonicContact NE-OE2 3.4Å; E177-N180 PolarHBondContact O-N 2.83Å
178E48.1Very low58.2Low166 Ų166118.8 Ų118.878%0.77661%0.607SS**G310 helixtrans-74.3-35.5-172-60.7-171.1171.900114.3N180E178-N180 VanDerWaalsContact C-N 3.26Å; E178-N180 PolarHBondContact O-N 3.04Å
179E54.3Low60.8Low164 Ų164108 Ų10877%0.76657%0.566SS**G310 helixtrans-69.9-21.8177.1-71.1-160.5155.100113.1
180N54.4Low63.2Low40 Ų40104.9 Ų104.921%0.21455%0.546CS..G310 helixtrans-85.3-17.9-169.9-80.5-65.1000114.7S176 E177 E178 N182 K183S176-N180 PolarHBondContact O-ND2 3.03Å; E177-N180 PolarHBondContact O-N 2.83Å; E178-N180 VanDerWaalsContact C-N 3.26Å; E178-N180 PolarHBondContact O-N 3.04Å; N180-N182 PolarHBondContact O-N 3.44Å; N180-N182 VanDerWaalsContact O-N 3.13Å; N180-K183 PolarHBondContact O-N 3.42Å; N180-K183 VanDerWaalsContact O-N 3.11Å
181L57.5Low65.5Low152 Ų15299.1 Ų99.180%0.79652%0.519SS*.G310 helixtrans-64.2-16.9177.7-62.8175.6000113.9
182N62.1Low67.9Low153 Ų15395.8 Ų95.882%0.81850%0.497SS*.G310 helixtrans-86.7-8.4177.3-72.6-69.2000114N180N180-N182 PolarHBondContact O-N 3.44Å; N180-N182 VanDerWaalsContact O-N 3.13Å
183K76.3Confident70.4Confident92 Ų9288.3 Ų88.340%0.446%0.457SS..SBendtrans-97.5150.3174.8-66.2176.7-178170.70109.5N180 E191N180-K183 PolarHBondContact O-N 3.42Å; N180-K183 VanDerWaalsContact O-N 3.11Å; K183-E191 IonicContact NZ-OE1 3.35Å; K183-E191 IonicContact NZ-OE2 3.11Å; K183-E191 PolarHBondContact NZ-OE2 3.08Å
184S89.5Confident72.7Confident50 Ų5090.6 Ų90.635%0.3545%0.451SS..  trans-69.6142.4170.6-174.30000110.2I186 S187 Q188S184-I186 PolarHBondContact O-N 3.01Å; S184-S187 WeakPolarHBondContact O-CA 3.22Å; S184-S187 VanDerWaalsContact O-CB 3.28Å; S184-S187 WeakPolarHBondContact O-CB 3.28Å; S184-S187 PolarHBondContact O-N 3.4Å; S184-Q188 PolarHBondContact O-N 3.39Å
185E90.8Very high74.6Confident44 Ų4488.3 Ų88.321%0.20645%0.446CS..Hα-helixtrans-55.2-37.9178-57.580.8178.300111.1S187 Q188 V189 K239 I243 L246E185-S187 VanDerWaalsContact C-N 3.34Å; E185-S187 PolarHBondContact O-N 3.01Å; E185-Q188 WeakPolarHBondContact O-CB 3.33Å; E185-Q188 PolarHBondContact O-N 2.92Å; E185-Q188 VanDerWaalsContact O-N 3.12Å; E185-V189 PolarHBondContact O-N 3.25Å; E185-K239 VanDerWaalsContact CD-CE 3.41Å; E185-K239 VanDerWaalsContact OE1-CE 3.25Å; E185-K239 WeakPolarHBondContact OE1-CE 3.38Å; E185-K239 IonicContact OE1-NZ 2.74Å; E185-K239 PolarHBondContact OE1-NZ 3.11Å; E185-K239 VanDerWaalsContact OE2-CD 3.27Å; E185-K239 WeakPolarHBondContact OE2-CD 3.33Å; E185-K239 VanDerWaalsContact OE2-CE 3.3Å; E185-K239 WeakPolarHBondContact OE2-CE 3.37Å; E185-K239 IonicContact OE2-NZ 2.76Å; E185-K239 PolarHBondContact OE2-NZ 3.24Å; E185-K239 VanDerWaalsContact OE2-NZ 3.11Å; E185-I243 HydrophobicContact CB-CG1 4Å; E185-I243 HydrophobicContact CG-CD1 4.2Å; E185-I243 HydrophobicContact CG-CG1 3.81Å; E185-L246 HydrophobicContact CB-CD1 3.9Å
186I92.1Very high76.8Confident40 Ų4081.5 Ų81.521%0.20541%0.412CS..Hα-helixtrans-57.6-46.6172.6-56.5171.2000110.6S184 Q188 V189 F190 F202 K238 K239 A242S184-I186 PolarHBondContact O-N 3.01Å; I186-Q188 VanDerWaalsContact C-N 3.3Å; I186-Q188 PolarHBondContact O-N 3.26Å; I186-V189 PolarHBondContact O-N 3.24Å; I186-F190 HydrophobicContact CG2-CD2 4.08Å; I186-F190 HydrophobicContact CG2-CE2 3.87Å; I186-F190 VanDerWaalsContact O-CD2 3.23Å; I186-F190 WeakPolarHBondContact O-CD2 3.37Å; I186-F190 PolarHBondContact O-N 2.86Å; I186-F202 HydrophobicContact CG2-CE2 4.27Å; I186-F202 HydrophobicContact CG2-CZ 3.95Å; I186-K238 HydrophobicContact CD1-CB 4.05Å; I186-K239 HydrophobicContact CD1-CB 4.42Å; I186-A242 HydrophobicContact CB-CB 4.49Å; I186-A242 HydrophobicContact CG1-CB 3.98Å
187S91.9Very high78.7Confident66 Ų6683.3 Ų83.346%0.46242%0.415SS..Hα-helixtrans-66.9-32.1177.5-53.30000112.3S184 E185 F190 E191S184-S187 WeakPolarHBondContact O-CA 3.22Å; S184-S187 VanDerWaalsContact O-CB 3.28Å; S184-S187 WeakPolarHBondContact O-CB 3.28Å; S184-S187 PolarHBondContact O-N 3.4Å; E185-S187 VanDerWaalsContact C-N 3.34Å; E185-S187 PolarHBondContact O-N 3.01Å; S187-F190 PolarHBondContact O-N 3.07Å; S187-E191 WeakPolarHBondContact O-CB 3.41Å; S187-E191 PolarHBondContact O-N 3.09Å
188Q91.3Very high80.6Confident45 Ų4580.5 Ų80.521%0.2140%0.403CS..Hα-helixtrans-68.1-40.1175.8-165.9176.426.600111.7S184 E185 I186 E191 I192 L246S184-Q188 PolarHBondContact O-N 3.39Å; E185-Q188 WeakPolarHBondContact O-CB 3.33Å; E185-Q188 PolarHBondContact O-N 2.92Å; E185-Q188 VanDerWaalsContact O-N 3.12Å; I186-Q188 VanDerWaalsContact C-N 3.3Å; I186-Q188 PolarHBondContact O-N 3.26Å; Q188-E191 PolarHBondContact O-N 2.94Å; Q188-I192 HydrophobicContact CG-CD1 4.09Å; Q188-I192 WeakPolarHBondContact O-CG1 3.42Å; Q188-I192 PolarHBondContact O-N 3.4Å; Q188-L246 HydrophobicContact CB-CD1 4.27Å; Q188-L246 HydrophobicContact CB-CD2 4.13Å; Q188-L246 HydrophobicContact CG-CD2 3.9Å
189V91.7Very high82.6Confident0 Ų077.2 Ų77.20%040%0.396CS..Hα-helixtrans-57.7-51.6171.7173.70000110.6E185 I186 E191 I192 A193 V200 V222 A242 L246E185-V189 PolarHBondContact O-N 3.25Å; I186-V189 PolarHBondContact O-N 3.24Å; V189-E191 VanDerWaalsContact C-N 3.33Å; V189-E191 PolarHBondContact O-N 3.47Å; V189-I192 PolarHBondContact O-N 3.37Å; V189-A193 VanDerWaalsContact O-CB 3.25Å; V189-A193 WeakPolarHBondContact O-CB 3.33Å; V189-A193 PolarHBondContact O-N 3.08Å; V189-V200 HydrophobicContact CG1-CG1 4.27Å; V189-V200 HydrophobicContact CG1-CG2 4.44Å; V189-V222 HydrophobicContact CG1-CG2 3.59Å; V189-A242 HydrophobicContact CG2-CB 3.8Å; V189-A242 WeakPolarHBondContact CG2-O 3.48Å; V189-L246 HydrophobicContact CG2-CD1 4.22Å; V189-L246 HydrophobicContact CG2-CD2 3.75Å; V189-L246 HydrophobicContact CG2-CG 3.57Å
190F91.5Very high84.5Confident88 Ų8871 Ų7139%0.38637%0.37SS..Hα-helixtrans-60.5-39.6177.7-78.8-71.5000112.6I186 S187 L194 V200 F202I186-F190 HydrophobicContact CG2-CD2 4.08Å; I186-F190 HydrophobicContact CG2-CE2 3.87Å; I186-F190 VanDerWaalsContact O-CD2 3.23Å; I186-F190 WeakPolarHBondContact O-CD2 3.37Å; I186-F190 PolarHBondContact O-N 2.86Å; S187-F190 PolarHBondContact O-N 3.07Å; F190-L194 VanDerWaalsContact O-CB 3.3Å; F190-L194 WeakPolarHBondContact O-CB 3.16Å; F190-L194 WeakPolarHBondContact O-CD1 3.49Å; F190-L194 VanDerWaalsContact O-CG 3.22Å; F190-L194 WeakPolarHBondContact O-CG 3.49Å; F190-L194 PolarHBondContact O-N 3.1Å; F190-V200 HydrophobicContact CD1-CB 3.98Å; F190-V200 HydrophobicContact CD1-CG1 4.15Å; F190-V200 HydrophobicContact CD1-CG2 4.05Å; F190-V200 HydrophobicContact CE1-CB 3.63Å; F190-V200 HydrophobicContact CE1-CG1 3.67Å; F190-V200 HydrophobicContact CE1-CG2 4.23Å; F190-V200 HydrophobicContact CZ-CB 4.33Å; F190-V200 HydrophobicContact CZ-CG1 3.88Å; F190-F202 HydrophobicContact CD2-CE2 4.46Å; F190-F202 HydrophobicContact CE2-CD2 4.22Å; F190-F202 AromaticContact CE2-CE2 3.56Å; F190-F202 HydrophobicContact CE2-CE2 3.56Å; F190-F202 HydrophobicContact CE2-CZ 4.46Å; F190-F202 AromaticContact CZ-CD2 3.97Å; F190-F202 HydrophobicContact CZ-CD2 3.97Å; F190-F202 AromaticContact CZ-CE2 3.67Å; F190-F202 HydrophobicContact CZ-CE2 3.67Å
191E90.8Very high86.4Confident70 Ų7073.4 Ų73.433%0.32738%0.383SS..Hα-helixtrans-65.5-38.9178.1-161.4-169.9122.100112.3K183 S187 Q188 V189 K195K183-E191 IonicContact NZ-OE1 3.35Å; K183-E191 IonicContact NZ-OE2 3.11Å; K183-E191 PolarHBondContact NZ-OE2 3.08Å; S187-E191 WeakPolarHBondContact O-CB 3.41Å; S187-E191 PolarHBondContact O-N 3.09Å; Q188-E191 PolarHBondContact O-N 2.94Å; V189-E191 VanDerWaalsContact C-N 3.33Å; V189-E191 PolarHBondContact O-N 3.47Å; E191-K195 WeakPolarHBondContact O-CD 3.49Å; E191-K195 VanDerWaalsContact O-CG 3.28Å; E191-K195 WeakPolarHBondContact O-CG 3.33Å; E191-K195 PolarHBondContact O-N 2.77Å; E191-K195 WeakPolarHBondContact OE1-CE 3.36Å; E191-K195 IonicContact OE1-NZ 3.63Å; E191-K195 PolarHBondContact OE1-NZ 3.07Å
192I88Confident88.2Confident38 Ų3867.8 Ų67.820%0.19535%0.352CS..Hα-helixtrans-73.8-43.5177.4-66.4167.5000110.9Q188 V189 L194 K195 R196 L246 L249Q188-I192 HydrophobicContact CG-CD1 4.09Å; Q188-I192 WeakPolarHBondContact O-CG1 3.42Å; Q188-I192 PolarHBondContact O-N 3.4Å; V189-I192 PolarHBondContact O-N 3.37Å; I192-L194 PolarHBondContact O-N 2.86Å; I192-K195 WeakPolarHBondContact O-CB 3.39Å; I192-K195 PolarHBondContact O-N 3.36Å; I192-K195 VanDerWaalsContact O-N 3.12Å; I192-R196 PolarHBondContact O-N 2.8Å; I192-L246 HydrophobicContact CD1-CD2 3.75Å; I192-L249 HydrophobicContact CB-CD1 4.46Å; I192-L249 HydrophobicContact CG2-CB 4.33Å; I192-L249 HydrophobicContact CG2-CD1 4.08Å; I192-L249 HydrophobicContact CG2-CD2 4.41Å
193A88.8Confident89.7Confident1 Ų164.2 Ų64.21%0.00833%0.33CS..Hα-helixtrans-61.8-43.4178.500000111.7V189 K195 R196 N197 L198 V200 V222V189-A193 VanDerWaalsContact O-CB 3.25Å; V189-A193 WeakPolarHBondContact O-CB 3.33Å; V189-A193 PolarHBondContact O-N 3.08Å; A193-K195 VanDerWaalsContact C-N 3.3Å; A193-K195 PolarHBondContact O-N 3.39Å; A193-R196 CarbonylContact O-C 3.55Å; A193-R196 PolarHBondContact O-N 2.98Å; A193-N197 CarbonylContact O-C 3.52Å; A193-N197 WeakPolarHBondContact O-CA 3.38Å; A193-N197 PolarHBondContact O-N 3.26Å; A193-L198 HydrophobicContact CB-CB 4.41Å; A193-L198 PolarHBondContact O-N 3.45Å; A193-V200 HydrophobicContact CB-CG2 3.22Å; A193-V222 HydrophobicContact CB-CG1 3.82Å
194L89.4Confident90.6Very high125 Ų12562.3 Ų62.365%0.65433%0.326SS*.Hα-helixtrans-62.8-31.9173.4-74.6168.6000113.3F190 I192F190-L194 VanDerWaalsContact O-CB 3.3Å; F190-L194 WeakPolarHBondContact O-CB 3.16Å; F190-L194 WeakPolarHBondContact O-CD1 3.49Å; F190-L194 VanDerWaalsContact O-CG 3.22Å; F190-L194 WeakPolarHBondContact O-CG 3.49Å; F190-L194 PolarHBondContact O-N 3.1Å; I192-L194 PolarHBondContact O-N 2.86Å
195K85.6Confident90.8Very high132 Ų13262.3 Ų62.357%0.57433%0.329SS*.Hα-helixtrans-72.4-34.9173.8-73168-169.8165.80112.6E191 I192 A193E191-K195 WeakPolarHBondContact O-CD 3.49Å; E191-K195 VanDerWaalsContact O-CG 3.28Å; E191-K195 WeakPolarHBondContact O-CG 3.33Å; E191-K195 PolarHBondContact O-N 2.77Å; E191-K195 WeakPolarHBondContact OE1-CE 3.36Å; E191-K195 IonicContact OE1-NZ 3.63Å; E191-K195 PolarHBondContact OE1-NZ 3.07Å; I192-K195 WeakPolarHBondContact O-CB 3.39Å; I192-K195 PolarHBondContact O-N 3.36Å; I192-K195 VanDerWaalsContact O-N 3.12Å; A193-K195 VanDerWaalsContact C-N 3.3Å; A193-K195 PolarHBondContact O-N 3.39Å
196R83.8Confident90.8Very high45 Ų4567.8 Ų67.817%0.1735%0.348CS..Hα-helixtrans-88.6-0.2176.6-65.5-167.4165142.8-4.1113.6I192 A193 L198 L249 L252 P253 L255I192-R196 PolarHBondContact O-N 2.8Å; A193-R196 CarbonylContact O-C 3.55Å; A193-R196 PolarHBondContact O-N 2.98Å; R196-L198 HydrophobicContact CB-CD1 4.06Å; R196-L198 HydrophobicContact CB-CG 3.89Å; R196-L198 PolarHBondContact O-N 2.59Å; R196-L249 PolarHBondContact NH1-O 2.95Å; R196-L249 PolarHBondContact NH2-O 2.81Å; R196-L252 PolarHBondContact NH2-O 2.82Å; R196-P253 PolarHBondContact NH2-O 2.85Å; R196-L255 HydrophobicContact CB-CD1 4.3Å; R196-L255 HydrophobicContact CG-CD1 3.83Å
197N85.6Confident90.9Very high127 Ų12770.3 Ų70.368%0.67936%0.359SS*.THydrogen-bonded Turntrans53.133.1-171.4-51.9-64.6000114.3A193A193-N197 CarbonylContact O-C 3.52Å; A193-N197 WeakPolarHBondContact O-CA 3.38Å; A193-N197 PolarHBondContact O-N 3.26Å
198L88.9Confident90.8Very high52 Ų5270.1 Ų70.127%0.27236%0.357SS..  trans-90.2137.3177.2-60.8178.6000110.9A193 R196 V222 L249A193-L198 HydrophobicContact CB-CB 4.41Å; A193-L198 PolarHBondContact O-N 3.45Å; R196-L198 HydrophobicContact CB-CD1 4.06Å; R196-L198 HydrophobicContact CB-CG 3.89Å; R196-L198 PolarHBondContact O-N 2.59Å; L198-V222 HydrophobicContact CB-CG1 4.11Å; L198-V222 HydrophobicContact CD1-CG1 4.2Å; L198-L249 HydrophobicContact CD1-CD2 4.47Å
199P91.1Very high90.7Very high97 Ų9770.4 Ų70.463%0.6337%0.373SS*.  trans-71.1146.1172.230.7-34.3000110.6V222 G223P199-V222 CarbonylContact O-C 3.45Å; P199-V222 WeakPolarHBondContact O-CA 3.48Å; P199-G223 PolarHBondContact O-N 3.12Å
200V94.1Very high90.6Very high35 Ų3573.4 Ų73.421%0.21239%0.392CS..EExtended strand (participates in β ladder)trans-122.4123.3178.5-178.20000109.9V189 F190 A193 F202 V220 S221 V222V189-V200 HydrophobicContact CG1-CG1 4.27Å; V189-V200 HydrophobicContact CG1-CG2 4.44Å; F190-V200 HydrophobicContact CD1-CB 3.98Å; F190-V200 HydrophobicContact CD1-CG1 4.15Å; F190-V200 HydrophobicContact CD1-CG2 4.05Å; F190-V200 HydrophobicContact CE1-CB 3.63Å; F190-V200 HydrophobicContact CE1-CG1 3.67Å; F190-V200 HydrophobicContact CE1-CG2 4.23Å; F190-V200 HydrophobicContact CZ-CB 4.33Å; F190-V200 HydrophobicContact CZ-CG1 3.88Å; A193-V200 HydrophobicContact CB-CG2 3.22Å; V200-F202 HydrophobicContact CG1-CD2 3.88Å; V200-F202 HydrophobicContact CG1-CE2 3.49Å; V200-F202 VanDerWaalsContact CG1-CE2 3.49Å; V200-F202 HydrophobicContact CG1-CZ 4.41Å; V200-V220 HydrophobicContact CG1-CG2 4.24Å; V200-S221 WeakPolarHBondContact CA-O 3.4Å; V200-V222 HydrophobicContact CG1-CG2 4.13Å; V200-V222 HydrophobicContact CG2-CG1 4.15Å; V200-V222 HydrophobicContact CG2-CG2 4.14Å
201N94.3Very high90.4Very high90 Ų9074.9 Ų74.948%0.48141%0.411SS..EExtended strand (participates in β ladder)trans-122.9143.2173.3-174.824.3000110.9V220 S221N201-V220 VanDerWaalsContact O-CA 3.27Å; N201-V220 WeakPolarHBondContact O-CA 3.41Å; N201-V220 WeakPolarHBondContact O-CG2 3.48Å; N201-S221 PolarHBondContact N-O 3.4Å; N201-S221 PolarHBondContact O-N 3.23Å
202F94.4Very high90Very high34 Ų3478.9 Ų78.915%0.14943%0.429CS..EExtended strand (participates in β ladder)trans-127.3103.4178.7-79.9-90.4000110.3I186 F190 V200 T218 V220 K238 A242I186-F202 HydrophobicContact CG2-CE2 4.27Å; I186-F202 HydrophobicContact CG2-CZ 3.95Å; F190-F202 HydrophobicContact CD2-CE2 4.46Å; F190-F202 HydrophobicContact CE2-CD2 4.22Å; F190-F202 AromaticContact CE2-CE2 3.56Å; F190-F202 HydrophobicContact CE2-CE2 3.56Å; F190-F202 HydrophobicContact CE2-CZ 4.46Å; F190-F202 AromaticContact CZ-CD2 3.97Å; F190-F202 HydrophobicContact CZ-CD2 3.97Å; F190-F202 AromaticContact CZ-CE2 3.67Å; F190-F202 HydrophobicContact CZ-CE2 3.67Å; V200-F202 HydrophobicContact CG1-CD2 3.88Å; V200-F202 HydrophobicContact CG1-CE2 3.49Å; V200-F202 VanDerWaalsContact CG1-CE2 3.49Å; V200-F202 HydrophobicContact CG1-CZ 4.41Å; F202-T218 HydrophobicContact CD1-CG2 4.18Å; F202-V220 HydrophobicContact CD1-CB 3.68Å; F202-V220 HydrophobicContact CD1-CG2 3.77Å; F202-V220 HydrophobicContact CD2-CG2 4.1Å; F202-V220 HydrophobicContact CE1-CB 3.66Å; F202-V220 HydrophobicContact CE1-CG1 4.31Å; F202-V220 HydrophobicContact CE1-CG2 3.52Å; F202-V220 HydrophobicContact CE2-CG2 3.86Å; F202-V220 HydrophobicContact CG-CB 4.29Å; F202-V220 HydrophobicContact CG-CG2 4.05Å; F202-V220 HydrophobicContact CZ-CB 4.24Å; F202-V220 HydrophobicContact CZ-CG2 3.56Å; F202-K238 HydrophobicContact CD1-CG 4.21Å; F202-A242 HydrophobicContact CE1-CB 4.29Å; F202-A242 HydrophobicContact CZ-CB 4.28Å
203E95.1Very high89.9Confident77 Ų7783.9 Ų83.936%0.3645%0.453SS..EExtended strand (participates in β ladder)trans-103.2142.9177.666.5-172.3173.300111.4A205 T218 K219E203-A205 PolarHBondContact O-N 3.22Å; E203-T218 CarbonylContact O-C 3.58Å; E203-T218 VanDerWaalsContact O-CA 3.31Å; E203-T218 WeakPolarHBondContact O-CA 3.22Å; E203-T218 WeakPolarHBondContact O-CG2 3.48Å; E203-K219 HydrophobicContact CG-CB 3.79Å; E203-K219 HydrophobicContact CG-CG 4.28Å; E203-K219 PolarHBondContact N-O 2.85Å; E203-K219 PolarHBondContact O-N 3.29Å; E203-K219 VanDerWaalsContact O-O 3.09Å; E203-K219 WeakPolarHBondContact OE1-CD 3.46Å; E203-K219 WeakPolarHBondContact OE1-CE 3.4Å; E203-K219 WeakPolarHBondContact OE1-CG 3.27Å; E203-K219 IonicContact OE1-NZ 3.98Å; E203-K219 PolarHBondContact OE1-NZ 3.09Å
204V94.7Very high90Very high53 Ų5388 Ų8832%0.32147%0.471SS..EExtended strand (participates in β ladder)trans-91.799170.8-178.60000106.8E207 V217V204-E207 HydrophobicContact CG1-CG 3.85Å; V204-V217 CarbonylContact C-O 3.49Å
205A92.9Very high90.2Very high49 Ų4984.1 Ų84.141%0.40545%0.451SS..EExtended strand (participates in β ladder)trans-70.5-38-173.600000112.6E203 V217 K219E203-A205 PolarHBondContact O-N 3.22Å; A205-V217 PolarHBondContact N-O 3.05Å; A205-K219 HydrophobicContact CB-CB 4.33Å
206R91.1Very high90.6Very high160 Ų16078.8 Ų78.860%0.60443%0.428SS*.EExtended strand (participates in β ladder)trans-146140.8-179.4-52.4-179.9-167.9150.910111.5V217R206-V217 HydrophobicContact CB-CB 4.06Å; R206-V217 HydrophobicContact CB-CG2 4.09Å; R206-V217 PolarHBondContact N-O 3.1Å; R206-V217 PolarHBondContact O-N 2.82Å
207E94.4Very high91.2Very high93 Ų9376.9 Ų76.944%0.43542%0.421SS..EExtended strand (participates in β ladder)trans-121120.2164.1-48.9-163.2174.700107.7V204 F216 K234V204-E207 HydrophobicContact CG1-CG 3.85Å; E207-F216 HydrophobicContact CB-CD1 4.18Å; E207-F216 HydrophobicContact CB-CE1 4.27Å; E207-F216 HydrophobicContact CG-CD1 3.74Å; E207-F216 HydrophobicContact CG-CE1 3.97Å; E207-F216 WeakPolarHBondContact OE2-CE1 3.43Å; E207-K234 WeakPolarHBondContact OE1-CE 3.49Å; E207-K234 IonicContact OE1-NZ 2.58Å; E207-K234 PolarHBondContact OE1-NZ 2.94Å; E207-K234 IonicContact OE2-NZ 3.97Å
208S90.6Very high91.7Very high61 Ų6170.9 Ų70.943%0.42739%0.389SS..EExtended strand (participates in β ladder)trans-133.7163.2-175.365.90000112.1K214 N215S208-K214 CarbonylContact O-C 3.57Å; S208-K214 VanDerWaalsContact O-CA 3.3Å; S208-K214 WeakPolarHBondContact O-CA 3.24Å; S208-N215 PolarHBondContact N-O 2.92Å; S208-N215 PolarHBondContact O-N 3.14Å
209G89.2Confident92Very high52 Ų5271.3 Ų71.354%0.53639%0.388SS..SBendtrans88.7167.6177.100000115.2
210P88.8Confident92.3Very high63 Ų6366.7 Ų66.741%0.40936%0.358SS..  trans-61.7157.6-176.3-23.835.2000113.2H212 M213 K214P210-H212 WeakPolarHBondContact CB-CE1 3.46Å; P210-H212 PolarHBondContact O-N 3.12Å; P210-M213 CarbonylContact O-C 3.58Å; P210-M213 VanDerWaalsContact O-C 3.25Å; P210-M213 PolarHBondContact O-N 2.73Å; P210-K214 WeakPolarHBondContact O-CG 3.45Å; P210-K214 PolarHBondContact O-N 3.29Å
211P86.3Confident92.2Very high119 Ų11966.8 Ų66.877%0.77336%0.36SS*.THydrogen-bonded Turntrans-53.6-28.1-179.8-28.936.1000115.6
212H83.3Confident92.1Very high154 Ų15462.5 Ų62.571%0.71334%0.337SS*.THydrogen-bonded Turntrans-87.4-12.817858.5-92.9000114.3P210P210-H212 WeakPolarHBondContact CB-CE1 3.46Å; P210-H212 PolarHBondContact O-N 3.12Å
213M86Confident91.8Very high142 Ų14262.5 Ų62.570%0.735%0.348SS*.SBendtrans-144.455-175.9-82.2177.263.100111.4P210P210-M213 CarbonylContact O-C 3.58Å; P210-M213 VanDerWaalsContact O-C 3.25Å; P210-M213 PolarHBondContact O-N 2.73Å
214K90.1Very high91.4Very high89 Ų8967.4 Ų67.439%0.38737%0.37SS..  trans-72.6128.7178.6-64-168.4175.7-162.80112.1S208 P210 F216 K232S208-K214 CarbonylContact O-C 3.57Å; S208-K214 VanDerWaalsContact O-CA 3.3Å; S208-K214 WeakPolarHBondContact O-CA 3.24Å; P210-K214 WeakPolarHBondContact O-CG 3.45Å; P210-K214 PolarHBondContact O-N 3.29Å; K214-F216 HydrophobicContact CB-CD2 4.37Å; K214-F216 HydrophobicContact CB-CE2 3.54Å; K214-F216 HydrophobicContact CB-CZ 3.64Å; K214-F216 HydrophobicContact CD-CE1 4.5Å; K214-F216 HydrophobicContact CD-CZ 3.9Å; K214-F216 HydrophobicContact CG-CZ 4.42Å; K214-K232 CarbonylContact O-C 3.6Å; K214-K232 WeakPolarHBondContact O-CA 3.34Å
215N93.4Very high91.2Very high43 Ų4366.9 Ų66.923%0.2336%0.364CS..EExtended strand (participates in β ladder)trans-94.1141.1162.3-165.821.1000109.3S208 E230 G231S208-N215 PolarHBondContact N-O 2.92Å; S208-N215 PolarHBondContact O-N 3.14Å; N215-E230 PolarHBondContact ND2-OE2 2.9Å; N215-G231 VanDerWaalsContact OD1-C 3.29Å; N215-G231 PolarHBondContact OD1-N 3.32Å; N215-G231 PolarHBondContact OD1-O 3.39Å
216F95Very high91.2Very high20 Ų2068 Ų689%0.08837%0.365CS..EExtended strand (participates in β ladder)trans-121.3131.2177.4-59.4-92.7000108.1E207 K214 E230 G231 S233 K234 S237E207-F216 HydrophobicContact CB-CD1 4.18Å; E207-F216 HydrophobicContact CB-CE1 4.27Å; E207-F216 HydrophobicContact CG-CD1 3.74Å; E207-F216 HydrophobicContact CG-CE1 3.97Å; E207-F216 WeakPolarHBondContact OE2-CE1 3.43Å; K214-F216 HydrophobicContact CB-CD2 4.37Å; K214-F216 HydrophobicContact CB-CE2 3.54Å; K214-F216 HydrophobicContact CB-CZ 3.64Å; K214-F216 HydrophobicContact CD-CE1 4.5Å; K214-F216 HydrophobicContact CD-CZ 3.9Å; K214-F216 HydrophobicContact CG-CZ 4.42Å; F216-E230 CarbonylContact O-C 3.5Å; F216-E230 VanDerWaalsContact O-CA 3.3Å; F216-E230 WeakPolarHBondContact O-CA 3.25Å; F216-G231 PolarHBondContact N-O 2.66Å; F216-G231 PolarHBondContact O-N 2.85Å; F216-S233 VanDerWaalsContact CD2-C 3.48Å; F216-S233 VanDerWaalsContact CD2-CA 3.41Å; F216-K234 HydrophobicContact CD1-CD 4.24Å; F216-K234 HydrophobicContact CD1-CG 3.42Å; F216-K234 VanDerWaalsContact CD1-CG 3.42Å; F216-K234 HydrophobicContact CD2-CG 4.42Å; F216-K234 HydrophobicContact CE1-CD 4.1Å; F216-K234 HydrophobicContact CE1-CG 3.56Å; F216-K234 HydrophobicContact CG-CG 3.88Å; F216-K234 HydrophobicContact CZ-CG 4.12Å; F216-S237 WeakPolarHBondContact O-CB 3.28Å; F216-S237 PolarHBondContact O-OG 2.74Å
217V96.1Very high91.3Very high5 Ų560.6 Ų60.63%0.0334%0.339CS..EExtended strand (participates in β ladder)trans-108.1117170-170.40000106.9V204 A205 R206 E230V204-V217 CarbonylContact C-O 3.49Å; A205-V217 PolarHBondContact N-O 3.05Å; R206-V217 HydrophobicContact CB-CB 4.06Å; R206-V217 HydrophobicContact CB-CG2 4.09Å; R206-V217 PolarHBondContact N-O 3.1Å; R206-V217 PolarHBondContact O-N 2.82Å; V217-E230 HydrophobicContact CG1-CG 4.46Å; V217-E230 HydrophobicContact CG2-CG 4.04Å
218T96.4Very high91.4Very high0 Ų061 Ų610%034%0.341CS..EExtended strand (participates in β ladder)trans-108.9132.8176-58.80000107.4F202 E203 E228 G229 S237 K238 A241F202-T218 HydrophobicContact CD1-CG2 4.18Å; E203-T218 CarbonylContact O-C 3.58Å; E203-T218 VanDerWaalsContact O-CA 3.31Å; E203-T218 WeakPolarHBondContact O-CA 3.22Å; E203-T218 WeakPolarHBondContact O-CG2 3.48Å; T218-E228 CarbonylContact O-C 3.43Å; T218-E228 WeakPolarHBondContact O-CA 3.22Å; T218-G229 PolarHBondContact N-O 3.07Å; T218-G229 PolarHBondContact O-N 3.15Å; T218-S237 WeakPolarHBondContact CB-OG 3.49Å; T218-S237 PolarHBondContact N-OG 3.44Å; T218-S237 PolarHBondContact OG1-OG 3.06Å; T218-K238 HydrophobicContact CG2-CB 4.48Å; T218-K238 HydrophobicContact CG2-CG 3.57Å; T218-A241 HydrophobicContact CG2-CB 4.32Å; T218-A241 VanDerWaalsContact O-CB 3.3Å; T218-A241 WeakPolarHBondContact O-CB 3.41Å
219K95.8Very high91.6Very high62 Ų6258.3 Ų58.327%0.2732%0.323SS..EExtended strand (participates in β ladder)trans-103.9138168.6174.7160.1154.9-104.10108.9E203 A205 V226 G227 E228E203-K219 HydrophobicContact CG-CB 3.79Å; E203-K219 HydrophobicContact CG-CG 4.28Å; E203-K219 PolarHBondContact N-O 2.85Å; E203-K219 PolarHBondContact O-N 3.29Å; E203-K219 VanDerWaalsContact O-O 3.09Å; E203-K219 WeakPolarHBondContact OE1-CD 3.46Å; E203-K219 WeakPolarHBondContact OE1-CE 3.4Å; E203-K219 WeakPolarHBondContact OE1-CG 3.27Å; E203-K219 IonicContact OE1-NZ 3.98Å; E203-K219 PolarHBondContact OE1-NZ 3.09Å; A205-K219 HydrophobicContact CB-CB 4.33Å; K219-V226 HydrophobicContact CD-CG1 3.88Å; K219-V226 HydrophobicContact CG-CG1 3.98Å; K219-G227 WeakPolarHBondContact CA-O 3.34Å; K219-E228 HydrophobicContact CB-CG 4.04Å; K219-E228 HydrophobicContact CD-CG 4.05Å; K219-E228 WeakPolarHBondContact CD-OE1 3.42Å; K219-E228 HydrophobicContact CG-CG 4.13Å
220V95.5Very high91.9Very high0 Ų061.1 Ų61.10%032%0.322CS..EExtended strand (participates in β ladder)trans-122.3134.4175.156.70000108.5V200 N201 F202 V222 V226 G227 A241 V245V200-V220 HydrophobicContact CG1-CG2 4.24Å; N201-V220 VanDerWaalsContact O-CA 3.27Å; N201-V220 WeakPolarHBondContact O-CA 3.41Å; N201-V220 WeakPolarHBondContact O-CG2 3.48Å; F202-V220 HydrophobicContact CD1-CB 3.68Å; F202-V220 HydrophobicContact CD1-CG2 3.77Å; F202-V220 HydrophobicContact CD2-CG2 4.1Å; F202-V220 HydrophobicContact CE1-CB 3.66Å; F202-V220 HydrophobicContact CE1-CG1 4.31Å; F202-V220 HydrophobicContact CE1-CG2 3.52Å; F202-V220 HydrophobicContact CE2-CG2 3.86Å; F202-V220 HydrophobicContact CG-CB 4.29Å; F202-V220 HydrophobicContact CG-CG2 4.05Å; F202-V220 HydrophobicContact CZ-CB 4.24Å; F202-V220 HydrophobicContact CZ-CG2 3.56Å; V220-V222 HydrophobicContact CG2-CG2 4.06Å; V220-V226 WeakPolarHBondContact O-CA 3.26Å; V220-G227 WeakPolarHBondContact CG1-O 3.47Å; V220-G227 PolarHBondContact N-O 3.15Å; V220-G227 PolarHBondContact O-N 2.81Å; V220-A241 HydrophobicContact CB-CB 4.43Å; V220-A241 VanDerWaalsContact CG1-C 3.49Å; V220-A241 HydrophobicContact CG1-CB 3.8Å; V220-A241 WeakPolarHBondContact CG1-O 3.23Å; V220-V245 HydrophobicContact CG1-CB 4.34Å; V220-V245 HydrophobicContact CG1-CG2 3.6Å
221S93.3Very high92.1Very high36 Ų3658.5 Ų58.525%0.25231%0.307SS..EExtended strand (participates in β ladder)trans-115.9133.4171.458.80000110.4V200 N201 F225V200-S221 WeakPolarHBondContact CA-O 3.4Å; N201-S221 PolarHBondContact N-O 3.4Å; N201-S221 PolarHBondContact O-N 3.23Å; S221-F225 CarbonylContact C-O 3.59Å; S221-F225 VanDerWaalsContact CA-O 3.27Å; S221-F225 WeakPolarHBondContact CA-O 3.41Å
222V92.7Very high92.4Very high0 Ų061.8 Ų61.80%031%0.309CS..EExtended strand (participates in β ladder)trans-130.990.1-179.6-177.30000108.7V189 A193 L198 P199 V200 V220 E224 F225 V245 L249V189-V222 HydrophobicContact CG1-CG2 3.59Å; A193-V222 HydrophobicContact CB-CG1 3.82Å; L198-V222 HydrophobicContact CB-CG1 4.11Å; L198-V222 HydrophobicContact CD1-CG1 4.2Å; P199-V222 CarbonylContact O-C 3.45Å; P199-V222 WeakPolarHBondContact O-CA 3.48Å; V200-V222 HydrophobicContact CG1-CG2 4.13Å; V200-V222 HydrophobicContact CG2-CG1 4.15Å; V200-V222 HydrophobicContact CG2-CG2 4.14Å; V220-V222 HydrophobicContact CG2-CG2 4.06Å; V222-E224 PolarHBondContact O-N 3.15Å; V222-E224 VanDerWaalsContact O-N 3.11Å; V222-F225 PolarHBondContact N-O 3.37Å; V222-F225 WeakPolarHBondContact O-CD2 3.42Å; V222-F225 PolarHBondContact O-N 2.84Å; V222-F225 VanDerWaalsContact O-N 3.1Å; V222-V245 HydrophobicContact CB-CG1 3.89Å; V222-V245 HydrophobicContact CG2-CG1 3.63Å; V222-L249 HydrophobicContact CG1-CD1 4.28Å; V222-L249 HydrophobicContact CG1-CD2 4.2Å
223G87.5Confident92.8Very high35 Ų3556.4 Ų56.436%0.36129%0.289SS..THydrogen-bonded Turntrans59-112.9-165.800000110.6P199P199-G223 PolarHBondContact O-N 3.12Å
224E86.3Confident93.1Very high180 Ų18054.3 Ų54.384%0.84128%0.276SS*.THydrogen-bonded Turntrans-86.6-17.6179.2-63.417417200113.6V222V222-E224 PolarHBondContact O-N 3.15Å; V222-E224 VanDerWaalsContact O-N 3.11Å
225F90.3Very high93.2Very high42 Ų4258 Ų5818%0.18429%0.292CS..EExtended strand (participates in β ladder)trans-81137-177.7-61.7-75.6000111.3S221 V222 V245 E248 L249 L252S221-F225 CarbonylContact C-O 3.59Å; S221-F225 VanDerWaalsContact CA-O 3.27Å; S221-F225 WeakPolarHBondContact CA-O 3.41Å; V222-F225 PolarHBondContact N-O 3.37Å; V222-F225 WeakPolarHBondContact O-CD2 3.42Å; V222-F225 PolarHBondContact O-N 2.84Å; V222-F225 VanDerWaalsContact O-N 3.1Å; F225-V245 HydrophobicContact CB-CG1 3.91Å; F225-E248 HydrophobicContact CD1-CB 3.54Å; F225-E248 HydrophobicContact CD1-CG 4.42Å; F225-E248 WeakPolarHBondContact CD1-OE2 3.27Å; F225-E248 HydrophobicContact CE1-CB 4.11Å; F225-E248 HydrophobicContact CG-CB 4.27Å; F225-L249 HydrophobicContact CD2-CD2 3.99Å; F225-L249 HydrophobicContact CE2-CD2 4.45Å; F225-L252 HydrophobicContact CD2-CD1 4.48Å; F225-L252 HydrophobicContact CE1-CG 4.41Å; F225-L252 HydrophobicContact CE2-CD1 3.36Å; F225-L252 HydrophobicContact CE2-CG 4.07Å; F225-L252 HydrophobicContact CZ-CD1 3.4Å; F225-L252 HydrophobicContact CZ-CD2 3.89Å; F225-L252 HydrophobicContact CZ-CG 3.56Å
226V93.1Very high93.2Very high71 Ų7160 Ų6043%0.4330%0.301SS..EExtended strand (participates in β ladder)trans-136.8116.7-177.2179.10000109K219 V220K219-V226 HydrophobicContact CD-CG1 3.88Å; K219-V226 HydrophobicContact CG-CG1 3.98Å; V220-V226 WeakPolarHBondContact O-CA 3.26Å
227G93.8Very high93.2Very high6 Ų659 Ų596%0.06230%0.297CS..EExtended strand (participates in β ladder)trans-125.3142.8176.800000111.8K219 V220 V245K219-G227 WeakPolarHBondContact CA-O 3.34Å; V220-G227 WeakPolarHBondContact CG1-O 3.47Å; V220-G227 PolarHBondContact N-O 3.15Å; V220-G227 PolarHBondContact O-N 2.81Å; G227-V245 VanDerWaalsContact N-CG2 3.29Å
228E95.7Very high93.1Very high101 Ų10162.1 Ų62.147%0.47231%0.311SS..EExtended strand (participates in β ladder)trans-108.7148.4173-59.3-162.8156.800110.5T218 K219T218-E228 CarbonylContact O-C 3.43Å; T218-E228 WeakPolarHBondContact O-CA 3.22Å; K219-E228 HydrophobicContact CB-CG 4.04Å; K219-E228 HydrophobicContact CD-CG 4.05Å; K219-E228 WeakPolarHBondContact CD-OE1 3.42Å; K219-E228 HydrophobicContact CG-CG 4.13Å
229G95.4Very high93.1Very high5 Ų565.8 Ų65.85%0.05233%0.326CS..EExtended strand (participates in β ladder)trans-147.1124.2179.600000112.6T218 S237T218-G229 PolarHBondContact N-O 3.07Å; T218-G229 PolarHBondContact O-N 3.15Å; G229-S237 PolarHBondContact O-OG 2.8Å
230E94.7Very high93.1Very high110 Ų11065.8 Ų65.851%0.51433%0.329SS..EExtended strand (participates in β ladder)trans-87.1158.4176.2-55.9-147.5161.600112.5N215 F216 V217 N240N215-E230 PolarHBondContact ND2-OE2 2.9Å; F216-E230 CarbonylContact O-C 3.5Å; F216-E230 VanDerWaalsContact O-CA 3.3Å; F216-E230 WeakPolarHBondContact O-CA 3.25Å; V217-E230 HydrophobicContact CG1-CG 4.46Å; V217-E230 HydrophobicContact CG2-CG 4.04Å; E230-N240 PolarHBondContact O-ND2 3.08Å
231G93.9Very high93.1Very high9 Ų965.8 Ų65.89%0.09333%0.329CS..EExtended strand (participates in β ladder)trans174151.8169.700000114.4N215 F216 S233N215-G231 VanDerWaalsContact OD1-C 3.29Å; N215-G231 PolarHBondContact OD1-N 3.32Å; N215-G231 PolarHBondContact OD1-O 3.39Å; F216-G231 PolarHBondContact N-O 2.66Å; F216-G231 PolarHBondContact O-N 2.85Å; G231-S233 PolarHBondContact O-N 3.35Å
232K91.9Very high93.2Very high187 Ų18764 Ų6481%0.81332%0.317SS*.SBendtrans-60.7-0.6-179.8-55-178-178.7-177.60115.5K214K214-K232 CarbonylContact O-C 3.6Å; K214-K232 WeakPolarHBondContact O-CA 3.34Å
233S92.3Very high93.2Very high41 Ų4166.8 Ų66.829%0.28733%0.331SS..SBendtrans-154152.6171.969.20000110.4F216 G231 K235 I236 S237F216-S233 VanDerWaalsContact CD2-C 3.48Å; F216-S233 VanDerWaalsContact CD2-CA 3.41Å; G231-S233 PolarHBondContact O-N 3.35Å; S233-K235 PolarHBondContact O-N 3.06Å; S233-I236 PolarHBondContact O-N 3.37Å; S233-I236 WeakPolarHBondContact OG-CG1 3.25Å; S233-I236 PolarHBondContact OG-N 3.39Å; S233-S237 WeakPolarHBondContact O-CB 3.32Å; S233-S237 PolarHBondContact O-N 3.29Å
234K91Very high93.5Very high98 Ų9866.7 Ų66.743%0.42633%0.327SS..Hα-helixtrans-50.4-30.9174.5-60.4-172.3-178.9-159.70113.5E207 F216 K238E207-K234 WeakPolarHBondContact OE1-CE 3.49Å; E207-K234 IonicContact OE1-NZ 2.58Å; E207-K234 PolarHBondContact OE1-NZ 2.94Å; E207-K234 IonicContact OE2-NZ 3.97Å; F216-K234 HydrophobicContact CD1-CD 4.24Å; F216-K234 HydrophobicContact CD1-CG 3.42Å; F216-K234 VanDerWaalsContact CD1-CG 3.42Å; F216-K234 HydrophobicContact CD2-CG 4.42Å; F216-K234 HydrophobicContact CE1-CD 4.1Å; F216-K234 HydrophobicContact CE1-CG 3.56Å; F216-K234 HydrophobicContact CG-CG 3.88Å; F216-K234 HydrophobicContact CZ-CG 4.12Å; K234-K238 VanDerWaalsContact O-CB 3.28Å; K234-K238 WeakPolarHBondContact O-CB 3.08Å; K234-K238 VanDerWaalsContact O-CG 3.25Å; K234-K238 WeakPolarHBondContact O-CG 3.42Å; K234-K238 PolarHBondContact O-N 2.96Å; K234-K238 VanDerWaalsContact O-N 3.1Å
235K93.1Very high93.8Very high168 Ų16858.1 Ų58.173%0.7329%0.287SS*.Hα-helixtrans-75.5-43.1178.3-173.6179178.6-176.90112.7S233 K239S233-K235 PolarHBondContact O-N 3.06Å; K235-K239 WeakPolarHBondContact O-CB 3.3Å; K235-K239 PolarHBondContact O-N 3.28Å; K235-K239 VanDerWaalsContact O-N 3.1Å
236I93.3Very high93.9Very high83 Ų8356.5 Ų56.543%0.42628%0.28SS..Hα-helixtrans-69.8-45.1178.2-65.3168.4000109.6S233 K238 K239 N240S233-I236 PolarHBondContact O-N 3.37Å; S233-I236 WeakPolarHBondContact OG-CG1 3.25Å; S233-I236 PolarHBondContact OG-N 3.39Å; I236-K238 PolarHBondContact O-N 2.55Å; I236-K239 WeakPolarHBondContact O-CB 3.31Å; I236-K239 PolarHBondContact O-N 2.97Å; I236-K239 VanDerWaalsContact O-N 3.14Å; I236-N240 PolarHBondContact O-N 2.88Å
237S95.2Very high93.7Very high0 Ų058.5 Ų58.50%029%0.285CS..Hα-helixtrans-57.4-48.4175.5170.40000112.2F216 T218 G229 S233 K239 N240 A241F216-S237 WeakPolarHBondContact O-CB 3.28Å; F216-S237 PolarHBondContact O-OG 2.74Å; T218-S237 WeakPolarHBondContact CB-OG 3.49Å; T218-S237 PolarHBondContact N-OG 3.44Å; T218-S237 PolarHBondContact OG1-OG 3.06Å; G229-S237 PolarHBondContact O-OG 2.8Å; S233-S237 WeakPolarHBondContact O-CB 3.32Å; S233-S237 PolarHBondContact O-N 3.29Å; S237-K239 VanDerWaalsContact C-N 3.33Å; S237-K239 PolarHBondContact O-N 3.04Å; S237-N240 PolarHBondContact O-N 2.94Å; S237-A241 WeakPolarHBondContact O-CB 3.47Å; S237-A241 PolarHBondContact O-N 3.35Å
238K94.8Very high93.4Very high71 Ų7161.2 Ų61.231%0.30930%0.296SS..Hα-helixtrans-58.9-38.7172.7-81.1177.8178-1530114I186 F202 T218 K234 I236 A242I186-K238 HydrophobicContact CD1-CB 4.05Å; F202-K238 HydrophobicContact CD1-CG 4.21Å; T218-K238 HydrophobicContact CG2-CB 4.48Å; T218-K238 HydrophobicContact CG2-CG 3.57Å; K234-K238 VanDerWaalsContact O-CB 3.28Å; K234-K238 WeakPolarHBondContact O-CB 3.08Å; K234-K238 VanDerWaalsContact O-CG 3.25Å; K234-K238 WeakPolarHBondContact O-CG 3.42Å; K234-K238 PolarHBondContact O-N 2.96Å; K234-K238 VanDerWaalsContact O-N 3.1Å; I236-K238 PolarHBondContact O-N 2.55Å; K238-A242 WeakPolarHBondContact O-CB 3.27Å; K238-A242 PolarHBondContact O-N 3.07Å; K238-A242 VanDerWaalsContact O-N 3.09Å
239K95.3Very high92.8Very high77 Ų7756.6 Ų56.634%0.33527%0.274SS..Hα-helixtrans-65.3-46.3175.4165.6172.4166.5142.30111.2E185 I186 K235 I236 S237 A242 I243E185-K239 VanDerWaalsContact CD-CE 3.41Å; E185-K239 VanDerWaalsContact OE1-CE 3.25Å; E185-K239 WeakPolarHBondContact OE1-CE 3.38Å; E185-K239 IonicContact OE1-NZ 2.74Å; E185-K239 PolarHBondContact OE1-NZ 3.11Å; E185-K239 VanDerWaalsContact OE2-CD 3.27Å; E185-K239 WeakPolarHBondContact OE2-CD 3.33Å; E185-K239 VanDerWaalsContact OE2-CE 3.3Å; E185-K239 WeakPolarHBondContact OE2-CE 3.37Å; E185-K239 IonicContact OE2-NZ 2.76Å; E185-K239 PolarHBondContact OE2-NZ 3.24Å; E185-K239 VanDerWaalsContact OE2-NZ 3.11Å; I186-K239 HydrophobicContact CD1-CB 4.42Å; K235-K239 WeakPolarHBondContact O-CB 3.3Å; K235-K239 PolarHBondContact O-N 3.28Å; K235-K239 VanDerWaalsContact O-N 3.1Å; I236-K239 WeakPolarHBondContact O-CB 3.31Å; I236-K239 PolarHBondContact O-N 2.97Å; I236-K239 VanDerWaalsContact O-N 3.14Å; S237-K239 VanDerWaalsContact C-N 3.33Å; S237-K239 PolarHBondContact O-N 3.04Å; K239-A242 WeakPolarHBondContact O-CB 3.38Å; K239-A242 PolarHBondContact O-N 2.88Å; K239-I243 HydrophobicContact CG-CD1 4.06Å; K239-I243 WeakPolarHBondContact O-CG1 3.27Å; K239-I243 PolarHBondContact O-N 2.95Å
240N95.4Very high92.3Very high61 Ų6163.2 Ų63.233%0.32630%0.302SS..Hα-helixtrans-66.4-39-179.2-68.2-5.5000111.5E230 I236 S237 A242 I243 A244E230-N240 PolarHBondContact O-ND2 3.08Å; I236-N240 PolarHBondContact O-N 2.88Å; S237-N240 PolarHBondContact O-N 2.94Å; N240-A242 VanDerWaalsContact C-N 3.33Å; N240-A242 PolarHBondContact O-N 3.3Å; N240-I243 WeakPolarHBondContact O-CB 3.48Å; N240-I243 PolarHBondContact O-N 3.1Å; N240-I243 VanDerWaalsContact O-N 3.15Å; N240-A244 PolarHBondContact O-N 2.75Å; N240-A244 VanDerWaalsContact O-N 3.13Å
241A96Very high91.7Very high0 Ų065.7 Ų65.70%031%0.311CS..Hα-helixtrans-63.3-40.9174.900000111.2T218 V220 S237 I243 A244 V245T218-A241 HydrophobicContact CG2-CB 4.32Å; T218-A241 VanDerWaalsContact O-CB 3.3Å; T218-A241 WeakPolarHBondContact O-CB 3.41Å; V220-A241 HydrophobicContact CB-CB 4.43Å; V220-A241 VanDerWaalsContact CG1-C 3.49Å; V220-A241 HydrophobicContact CG1-CB 3.8Å; V220-A241 WeakPolarHBondContact CG1-O 3.23Å; S237-A241 WeakPolarHBondContact O-CB 3.47Å; S237-A241 PolarHBondContact O-N 3.35Å; A241-I243 VanDerWaalsContact C-N 3.34Å; A241-I243 PolarHBondContact O-N 3.23Å; A241-A244 PolarHBondContact O-N 3.17Å; A241-V245 PolarHBondContact O-N 2.83Å
242A95Very high90.7Very high0 Ų068.3 Ų68.30%032%0.322CS..Hα-helixtrans-63.7-35.7173.300000112.9I186 V189 F202 K238 K239 N240 L246I186-A242 HydrophobicContact CB-CB 4.49Å; I186-A242 HydrophobicContact CG1-CB 3.98Å; V189-A242 HydrophobicContact CG2-CB 3.8Å; V189-A242 WeakPolarHBondContact CG2-O 3.48Å; F202-A242 HydrophobicContact CE1-CB 4.29Å; F202-A242 HydrophobicContact CZ-CB 4.28Å; K238-A242 WeakPolarHBondContact O-CB 3.27Å; K238-A242 PolarHBondContact O-N 3.07Å; K238-A242 VanDerWaalsContact O-N 3.09Å; K239-A242 WeakPolarHBondContact O-CB 3.38Å; K239-A242 PolarHBondContact O-N 2.88Å; N240-A242 VanDerWaalsContact C-N 3.33Å; N240-A242 PolarHBondContact O-N 3.3Å; A242-L246 VanDerWaalsContact O-CG 3.27Å; A242-L246 WeakPolarHBondContact O-CG 3.36Å; A242-L246 PolarHBondContact O-N 3.15Å
243I93.9Very high89.8Confident57 Ų5763.7 Ų63.729%0.29231%0.312SS..Hα-helixtrans-62.7-46.9175.2-70.4164.3000110.8E185 K239 N240 A241 V245 L246 E247E185-I243 HydrophobicContact CB-CG1 4Å; E185-I243 HydrophobicContact CG-CD1 4.2Å; E185-I243 HydrophobicContact CG-CG1 3.81Å; K239-I243 HydrophobicContact CG-CD1 4.06Å; K239-I243 WeakPolarHBondContact O-CG1 3.27Å; K239-I243 PolarHBondContact O-N 2.95Å; N240-I243 WeakPolarHBondContact O-CB 3.48Å; N240-I243 PolarHBondContact O-N 3.1Å; N240-I243 VanDerWaalsContact O-N 3.15Å; A241-I243 VanDerWaalsContact C-N 3.34Å; A241-I243 PolarHBondContact O-N 3.23Å; I243-V245 VanDerWaalsContact C-N 3.34Å; I243-V245 PolarHBondContact O-N 3.22Å; I243-L246 WeakPolarHBondContact O-CB 3.48Å; I243-L246 PolarHBondContact O-N 3.48Å; I243-L246 VanDerWaalsContact O-N 3.11Å; I243-E247 PolarHBondContact O-N 2.84Å
244A93.8Very high88.4Confident33 Ų3367.7 Ų67.727%0.27334%0.336SS..Hα-helixtrans-55-48.1178.600000111.9N240 A241 L246 E247N240-A244 PolarHBondContact O-N 2.75Å; N240-A244 VanDerWaalsContact O-N 3.13Å; A241-A244 PolarHBondContact O-N 3.17Å; A244-L246 PolarHBondContact O-N 2.86Å; A244-E247 PolarHBondContact O-N 2.93Å
245V92.8Very high86.8Confident0 Ų068 Ų680%034%0.342CS..Hα-helixtrans-72.3-27.4178.2177.50000113.3V220 V222 F225 G227 A241 I243 E247 E248 L249V220-V245 HydrophobicContact CG1-CB 4.34Å; V220-V245 HydrophobicContact CG1-CG2 3.6Å; V222-V245 HydrophobicContact CB-CG1 3.89Å; V222-V245 HydrophobicContact CG2-CG1 3.63Å; F225-V245 HydrophobicContact CB-CG1 3.91Å; G227-V245 VanDerWaalsContact N-CG2 3.29Å; A241-V245 PolarHBondContact O-N 2.83Å; I243-V245 VanDerWaalsContact C-N 3.34Å; I243-V245 PolarHBondContact O-N 3.22Å; V245-E247 PolarHBondContact O-N 3.12Å; V245-E248 PolarHBondContact O-N 3.19Å; V245-L249 HydrophobicContact CG1-CD1 3.85Å; V245-L249 HydrophobicContact CG1-CG 3.94Å; V245-L249 WeakPolarHBondContact O-CB 3.42Å; V245-L249 VanDerWaalsContact O-CG 3.28Å; V245-L249 WeakPolarHBondContact O-CG 3.28Å; V245-L249 PolarHBondContact O-N 3.36Å
246L91.3Very high84.8Confident9 Ų965.3 Ų65.35%0.04734%0.342CS..Hα-helixtrans-62-33.7172.9-78.5170.8000112.4E185 Q188 V189 I192 A242 I243 A244 K250E185-L246 HydrophobicContact CB-CD1 3.9Å; Q188-L246 HydrophobicContact CB-CD1 4.27Å; Q188-L246 HydrophobicContact CB-CD2 4.13Å; Q188-L246 HydrophobicContact CG-CD2 3.9Å; V189-L246 HydrophobicContact CG2-CD1 4.22Å; V189-L246 HydrophobicContact CG2-CD2 3.75Å; V189-L246 HydrophobicContact CG2-CG 3.57Å; I192-L246 HydrophobicContact CD1-CD2 3.75Å; A242-L246 VanDerWaalsContact O-CG 3.27Å; A242-L246 WeakPolarHBondContact O-CG 3.36Å; A242-L246 PolarHBondContact O-N 3.15Å; I243-L246 WeakPolarHBondContact O-CB 3.48Å; I243-L246 PolarHBondContact O-N 3.48Å; I243-L246 VanDerWaalsContact O-N 3.11Å; A244-L246 PolarHBondContact O-N 2.86Å; L246-K250 WeakPolarHBondContact O-CB 3.46Å; L246-K250 VanDerWaalsContact O-CG 3.23Å; L246-K250 WeakPolarHBondContact O-CG 3.42Å; L246-K250 PolarHBondContact O-N 3.39Å; L246-K250 VanDerWaalsContact O-N 3.1Å
247E88.8Confident82.9Confident112 Ų11266 Ų6652%0.52336%0.36SS..Hα-helixtrans-68.1-38.5176-66.1-177.9-172.700111.9I243 A244 V245 K250 K251I243-E247 PolarHBondContact O-N 2.84Å; A244-E247 PolarHBondContact O-N 2.93Å; V245-E247 PolarHBondContact O-N 3.12Å; E247-K250 PolarHBondContact O-N 3.03Å; E247-K251 WeakPolarHBondContact O-CG 3.33Å; E247-K251 PolarHBondContact O-N 3.08Å
248E87.6Confident81Confident63 Ų6372.1 Ų72.129%0.29440%0.397SS..Hα-helixtrans-70-43.7175.6-56.1-173.3144.500111.9F225 V245 K250 K251 L252F225-E248 HydrophobicContact CD1-CB 3.54Å; F225-E248 HydrophobicContact CD1-CG 4.42Å; F225-E248 WeakPolarHBondContact CD1-OE2 3.27Å; F225-E248 HydrophobicContact CE1-CB 4.11Å; F225-E248 HydrophobicContact CG-CB 4.27Å; V245-E248 PolarHBondContact O-N 3.19Å; E248-K250 PolarHBondContact O-N 3.42Å; E248-K251 WeakPolarHBondContact O-CB 3.4Å; E248-K251 PolarHBondContact O-N 3.34Å; E248-L252 PolarHBondContact O-N 2.97Å
249L84.4Confident79.1Confident4 Ų477.2 Ų77.22%0.02142%0.422CS..Hα-helixtrans-61.4-27.3175.6-70.6171.7000112.6I192 R196 L198 V222 F225 V245I192-L249 HydrophobicContact CB-CD1 4.46Å; I192-L249 HydrophobicContact CG2-CB 4.33Å; I192-L249 HydrophobicContact CG2-CD1 4.08Å; I192-L249 HydrophobicContact CG2-CD2 4.41Å; R196-L249 PolarHBondContact NH1-O 2.95Å; R196-L249 PolarHBondContact NH2-O 2.81Å; L198-L249 HydrophobicContact CD1-CD2 4.47Å; V222-L249 HydrophobicContact CG1-CD1 4.28Å; V222-L249 HydrophobicContact CG1-CD2 4.2Å; F225-L249 HydrophobicContact CD2-CD2 3.99Å; F225-L249 HydrophobicContact CE2-CD2 4.45Å; V245-L249 HydrophobicContact CG1-CD1 3.85Å; V245-L249 HydrophobicContact CG1-CG 3.94Å; V245-L249 WeakPolarHBondContact O-CB 3.42Å; V245-L249 VanDerWaalsContact O-CG 3.28Å; V245-L249 WeakPolarHBondContact O-CG 3.28Å; V245-L249 PolarHBondContact O-N 3.36Å
250K83.4Confident77.4Confident144 Ų14482.3 Ų82.363%0.62644%0.439SS*.Hα-helixtrans-75.8-26173-76.9172.2-178.6-173.50113.9L246 E247 E248L246-K250 WeakPolarHBondContact O-CB 3.46Å; L246-K250 VanDerWaalsContact O-CG 3.23Å; L246-K250 WeakPolarHBondContact O-CG 3.42Å; L246-K250 PolarHBondContact O-N 3.39Å; L246-K250 VanDerWaalsContact O-N 3.1Å; E247-K250 PolarHBondContact O-N 3.03Å; E248-K250 PolarHBondContact O-N 3.42Å
251K83.3Confident75.3Confident163 Ų16385.6 Ų85.671%0.70946%0.461SS*.Hα-helixtrans-76-28.6178.7-68.6167.2-169.2169.90112.6E247 E248E247-K251 WeakPolarHBondContact O-CG 3.33Å; E247-K251 PolarHBondContact O-N 3.08Å; E248-K251 WeakPolarHBondContact O-CB 3.4Å; E248-K251 PolarHBondContact O-N 3.34Å
252L73Confident73.3Confident64 Ų6494.5 Ų94.534%0.33550%0.5SS..SBendtrans-62.6141.7175.1-84.6-176.8000111.9R196 F225 E248R196-L252 PolarHBondContact NH2-O 2.82Å; F225-L252 HydrophobicContact CD2-CD1 4.48Å; F225-L252 HydrophobicContact CE1-CG 4.41Å; F225-L252 HydrophobicContact CE2-CD1 3.36Å; F225-L252 HydrophobicContact CE2-CG 4.07Å; F225-L252 HydrophobicContact CZ-CD1 3.4Å; F225-L252 HydrophobicContact CZ-CD2 3.89Å; F225-L252 HydrophobicContact CZ-CG 3.56Å; E248-L252 PolarHBondContact O-N 2.97Å
253P72.3Confident70.9Confident90 Ų90100 Ų10058%0.58454%0.535SS*.PPolyproline II helixtrans-55.514817623.7-33.9000111.6R196 L255R196-P253 PolarHBondContact NH2-O 2.85Å; P253-L255 PolarHBondContact O-N 3Å; P253-L255 VanDerWaalsContact O-N 3.12Å
254P62.7Low68.7Low124 Ų124108.9 Ų108.981%0.80557%0.565SS**PPolyproline II helixtrans-63.9116.417227.1-32.4000108.3
255L58.2Low67.1Low104 Ų104114.4 Ų114.455%0.54559%0.589SS.*PPolyproline II helixtrans-60.2146.9171.7-64.8-176.5000109.1R196 P253 A257R196-L255 HydrophobicContact CB-CD1 4.3Å; R196-L255 HydrophobicContact CG-CD1 3.83Å; P253-L255 PolarHBondContact O-N 3Å; P253-L255 VanDerWaalsContact O-N 3.12Å; L255-A257 PolarHBondContact O-N 3.33Å
256P50Low65Low113 Ų113124.5 Ų124.573%0.73463%0.633SS**PPolyproline II helixtrans-52.5130.2173.723.5-33.9000108.9V258P256-V258 PolarHBondContact O-N 2.9Å
257A54.4Low63.4Low98 Ų98132.6 Ų132.681%0.8167%0.668SS**  trans-66.197.1-172.600000109.8L255 E259L255-A257 PolarHBondContact O-N 3.33Å; A257-E259 PolarHBondContact O-N 3.17Å
258V55.6Low61.7Low128 Ų128136.2 Ų136.278%0.77668%0.682SS**  trans-60.3107.6168.9179.40000106.8P256 R260P256-V258 PolarHBondContact O-N 2.9Å; V258-R260 PolarHBondContact O-N 3.37Å
259E54.6Low60.3Low177 Ų177139.2 Ų139.283%0.82770%0.704SS**  trans-70.677.9-170.3-168.2178.7-168.600110.7A257 V261A257-E259 PolarHBondContact O-N 3.17Å; E259-V261 PolarHBondContact O-N 3.3Å; E259-V261 VanDerWaalsContact O-N 3.1Å
260R59.4Low59.3Low184 Ų184147.8 Ų147.869%0.69474%0.741SS**  trans-71.3107.6167.2-66.1-154.4-170.6-167.58108V258 K262V258-R260 PolarHBondContact O-N 3.37Å; R260-K262 PolarHBondContact O-N 3.12Å
261V51.9Low57.5Low130 Ų130146.5 Ų146.579%0.78875%0.748SS**  trans-48.6101.2171.8-1760000109.1E259 P263E259-V261 PolarHBondContact O-N 3.3Å; E259-V261 VanDerWaalsContact O-N 3.1Å; V261-P263 WeakPolarHBondContact O-CD 3.49Å
262K52.5Low56.1Low187 Ų187146.6 Ų146.681%0.81375%0.754SS**  trans-68.7120171.9-76.4175.9179.2169.20107R260 R264R260-K262 PolarHBondContact O-N 3.12Å; K262-R264 PolarHBondContact O-N 3.48Å
263P45Very low54.8Low115 Ų115149.7 Ų149.775%0.74778%0.776SS**  trans-58.5113.2172.922.6-31.6000108.7V261 I265V261-P263 WeakPolarHBondContact O-CD 3.49Å; P263-I265 PolarHBondContact O-N 2.95Å
264R48.8Very low53.7Low244 Ų244154 Ų15492%0.92179%0.785SS**SBendtrans-77.950.4-168.9-168-177.9165.1141.6-5.6112.1K262K262-R264 PolarHBondContact O-N 3.48Å
265I58.5Low52.9Low150 Ų150153.6 Ų153.677%0.76978%0.782SS**  trans-120.788.5171.3-53.1-179.6000107.3P263 K267P263-I265 PolarHBondContact O-N 2.95Å; I265-K267 PolarHBondContact O-N 3.1Å
266K50.3Low52Low212 Ų212157.6 Ų157.692%0.92280%0.798SS**  trans-69.270.5173.3-70.8-172.1178-175.10110.2K268K266-K268 PolarHBondContact O-N 3.11Å
267K57.9Low51.8Low179 Ų179158.7 Ų158.778%0.77880%0.803SS**  trans-65.6100.9166.7-172.6172.9-174.9173.80107.3I265 T269I265-K267 PolarHBondContact O-N 3.1Å; K267-T269 VanDerWaalsContact C-N 3.29Å; K267-T269 PolarHBondContact O-N 2.97Å
268K52.8Low51.1Low188 Ų188157.4 Ų157.482%0.81779%0.789SS**  trans-66.884.8-177.3-169.4169.5-174.2169.40110.2K266 K270K266-K268 PolarHBondContact O-N 3.11Å; K268-K270 PolarHBondContact O-N 3.35Å
269T56.9Low50.8Low126 Ų126157.1 Ų157.177%0.77379%0.789SS**  trans-61.597.616728.70000108.2K267K267-T269 VanDerWaalsContact C-N 3.29Å; K267-T269 PolarHBondContact O-N 2.97Å
270K63.8Low50.4Low183 Ų183154.8 Ų154.880%0.79678%0.778SS**PPolyproline II helixtrans-59.5129.1169.9-62.5-178.5-178179.40107.3K268 I272K268-K270 PolarHBondContact O-N 3.35Å; K270-I272 PolarHBondContact O-N 3.12Å
271P46.2Very low50Low118 Ų118154.3 Ų154.377%0.76678%0.778SS**PPolyproline II helixtrans-58.9138170.526-33.2000108.4V273P271-V273 PolarHBondContact O-N 3.23Å
272I54.4Low50.2Low164 Ų164149 Ų14984%0.84175%0.749SS**PPolyproline II helixtrans-60.6123.1177.1-170.8165.2000108.7K270 K274K270-I272 PolarHBondContact O-N 3.12Å; I272-K274 PolarHBondContact O-N 2.91Å
273V45.2Very low50.4Low129 Ų129146.6 Ų146.678%0.78274%0.741SS**PPolyproline II helixtrans-61.2122.9177.9179.10000107.2P271P271-V273 PolarHBondContact O-N 3.23Å
274K48Very low51.3Low181 Ų181145 Ų14579%0.78775%0.745SS**PPolyproline II helixtrans-54.6127.9176.2-67.2174.3-179.8172.50108.1I272 Q276I272-K274 PolarHBondContact O-N 2.91Å; K274-Q276 PolarHBondContact O-N 2.7Å
275P45.8Very low52.7Low115 Ų115136.9 Ų136.975%0.74772%0.719SS**PPolyproline II helixtrans-58.2133.9169.825.7-32.7000108.1T277P275-T277 PolarHBondContact O-N 2.63Å; P275-T277 VanDerWaalsContact O-N 3.07Å
276Q40.7Very low54.3Low188 Ų188132.5 Ų132.588%0.87970%0.697SS**  trans-65.3113-176.9-68.1-168.7-7.700109.6K274 S278K274-Q276 PolarHBondContact O-N 2.7Å; Q276-S278 PolarHBondContact O-N 3.11Å; Q276-S278 VanDerWaalsContact O-N 3.1Å
277T44.3Very low56.2Low137 Ų137123.3 Ų123.384%0.8466%0.659SS**  trans-82.274.8167.1540000108.4P275P275-T277 PolarHBondContact O-N 2.63Å; P275-T277 VanDerWaalsContact O-N 3.07Å
278S40.2Very low57.9Low71 Ų71116.5 Ų116.550%0.49763%0.631SS.*  trans-65148.4159.457.80000108.7Q276 E280Q276-S278 PolarHBondContact O-N 3.11Å; Q276-S278 VanDerWaalsContact O-N 3.1Å; S278-E280 PolarHBondContact O-N 2.82Å
279P50Low59.8Low121 Ų121110.5 Ų110.579%0.78661%0.613SS**SBendtrans-7519.4174.732.7-35.7000112.7Y281P279-Y281 WeakPolarHBondContact O-CD2 3.43Å; P279-Y281 PolarHBondContact O-N 2.95Å; P279-Y281 VanDerWaalsContact O-N 3.08Å
280E45.8Very low61.4Low128 Ų128107.4 Ų107.460%0.59859%0.587SS**  trans-82.790.5179.1-165.6155.6-171.600109.6S278 G282S278-E280 PolarHBondContact O-N 2.82Å; E280-G282 PolarHBondContact O-N 2.9Å
281Y51.3Low62.8Low174 Ų17498.7 Ų98.768%0.68255%0.549SS*.THydrogen-bonded Turntrans-51.785-170.8-95.8-100.9000114.3P279 R290P279-Y281 WeakPolarHBondContact O-CD2 3.43Å; P279-Y281 PolarHBondContact O-N 2.95Å; P279-Y281 VanDerWaalsContact O-N 3.08Å; Y281-R290 VanDerWaalsContact O-CZ 3.29Å; Y281-R290 PolarHBondContact O-NH1 2.66Å; Y281-R290 PolarHBondContact O-NH2 2.99Å
282G56.6Low64.9Low18 Ų1895.1 Ų95.119%0.18653%0.53CS..THydrogen-bonded Turntrans151.8-29.416000000116.7E280 G284E280-G282 PolarHBondContact O-N 2.9Å; G282-G284 PolarHBondContact O-N 2.97Å
283Q56.4Low66.7Low138 Ų13890.8 Ų90.865%0.64551%0.506SS*.THydrogen-bonded Turntrans-78.1-17.5-163.3-59.4-173.318.800115.2P357Q283-P357 HydrophobicContact CG-CG 4.41Å
284G62.9Low68.7Low81 Ų8185.4 Ų85.484%0.83547%0.472SS*.THydrogen-bonded Turntrans-112.36.3179.500000115.5G282G282-G284 PolarHBondContact O-N 2.97Å
285I79.7Confident70.8Confident74 Ų7476.9 Ų76.938%0.37944%0.435SS..SBendtrans-99.4135.3-171-58.4174.9000110.1R290I285-R290 HydrophobicContact CG2-CB 4.34Å
286N90.3Very high72.9Confident57 Ų5778.9 Ų78.931%0.30544%0.435SS..  trans-52.6129174.617849.6000110.8I288 S289 R290 R342N286-I288 PolarHBondContact O-N 2.85Å; N286-I288 VanDerWaalsContact O-N 3.1Å; N286-S289 WeakPolarHBondContact O-CA 3.48Å; N286-S289 WeakPolarHBondContact O-CB 3.13Å; N286-S289 PolarHBondContact O-N 3.39Å; N286-R290 PolarHBondContact O-N 2.93Å; N286-R342 PolarHBondContact OD1-NE 3.1Å
287P91.8Very high75.1Confident19 Ų1973.9 Ų73.912%0.12343%0.426CS..Hα-helixtrans-60.4-30.3-169.820.8-33.2000113.4S289 R290 L291 R342 E346 L349P287-S289 VanDerWaalsContact C-N 3.33Å; P287-S289 PolarHBondContact O-N 2.99Å; P287-R290 PolarHBondContact O-N 3.19Å; P287-L291 WeakPolarHBondContact O-CB 3.38Å; P287-L291 PolarHBondContact O-N 2.83Å; P287-R342 HydrophobicContact CG-CG 3.5Å; P287-E346 HydrophobicContact CB-CB 4.25Å; P287-E346 HydrophobicContact CG-CB 4.26Å; P287-L349 HydrophobicContact CB-CD1 3.66Å
288I93.1Very high77.1Confident36 Ų3671.7 Ų71.719%0.18541%0.405CS..Hα-helixtrans-54.9-47.9170.7-52.4174.2000111.3N286 A292 Y305 K341 R342 A345N286-I288 PolarHBondContact O-N 2.85Å; N286-I288 VanDerWaalsContact O-N 3.1Å; I288-A292 PolarHBondContact O-N 3.27Å; I288-A292 VanDerWaalsContact O-N 3.12Å; I288-Y305 HydrophobicContact CG2-CE2 4.47Å; I288-K341 HydrophobicContact CD1-CB 4.41Å; I288-K341 HydrophobicContact CD1-CD 4.34Å; I288-K341 HydrophobicContact CD1-CG 3.94Å; I288-K341 HydrophobicContact CG1-CG 4.47Å; I288-R342 HydrophobicContact CD1-CB 4.17Å; I288-R342 HydrophobicContact CG1-CB 4.36Å; I288-A345 HydrophobicContact CB-CB 4.35Å; I288-A345 HydrophobicContact CG1-CB 3.94Å
289S92.6Very high79.3Confident62 Ų6277.6 Ų77.643%0.43442%0.421SS..Hα-helixtrans-73-34.8-179.3-55.60000111.5N286 P287 Q293N286-S289 WeakPolarHBondContact O-CA 3.48Å; N286-S289 WeakPolarHBondContact O-CB 3.13Å; N286-S289 PolarHBondContact O-N 3.39Å; P287-S289 VanDerWaalsContact C-N 3.33Å; P287-S289 PolarHBondContact O-N 2.99Å; S289-Q293 WeakPolarHBondContact O-CB 3.4Å; S289-Q293 PolarHBondContact O-N 3.25Å
290R91.2Very high81.1Confident61 Ų6176.1 Ų76.123%0.2340%0.404CS..Hα-helixtrans-66.3-43.4175.3-177.153.2170.9-162.4-8.7111.8Y281 I285 N286 P287 Q293 I294 L349Y281-R290 VanDerWaalsContact O-CZ 3.29Å; Y281-R290 PolarHBondContact O-NH1 2.66Å; Y281-R290 PolarHBondContact O-NH2 2.99Å; I285-R290 HydrophobicContact CG2-CB 4.34Å; N286-R290 PolarHBondContact O-N 2.93Å; P287-R290 PolarHBondContact O-N 3.19Å; R290-Q293 PolarHBondContact O-N 3.3Å; R290-I294 HydrophobicContact CG-CD1 4Å; R290-I294 WeakPolarHBondContact O-CD1 3.19Å; R290-I294 WeakPolarHBondContact O-CG1 3.38Å; R290-I294 PolarHBondContact O-N 2.66Å; R290-L349 HydrophobicContact CB-CD1 4.25Å; R290-L349 HydrophobicContact CG-CD1 4.25Å; R290-L349 HydrophobicContact CG-CD2 4.38Å
291L91.3Very high83.1Confident0 Ų077.4 Ų77.40%041%0.408CS..Hα-helixtrans-62-46.5175.4-177.563.4000111.5P287 Q293 I294 Q295 P303 V323 V325 A345 M348 L349 L352P287-L291 WeakPolarHBondContact O-CB 3.38Å; P287-L291 PolarHBondContact O-N 2.83Å; L291-Q293 PolarHBondContact O-N 2.89Å; L291-I294 PolarHBondContact O-N 3.21Å; L291-Q295 WeakPolarHBondContact O-CG 3.16Å; L291-Q295 PolarHBondContact O-N 2.99Å; L291-P303 HydrophobicContact CD2-CB 4.09Å; L291-P303 HydrophobicContact CG-CB 4.36Å; L291-P303 HydrophobicContact CG-CG 4.45Å; L291-V323 HydrophobicContact CD2-CG2 4.23Å; L291-V325 HydrophobicContact CD1-CG2 4.41Å; L291-V325 HydrophobicContact CD2-CG2 4.26Å; L291-A345 HydrophobicContact CD2-CB 4Å; L291-M348 HydrophobicContact CD1-CB 4.48Å; L291-M348 HydrophobicContact CD1-CG 3.81Å; L291-M348 HydrophobicContact CD2-CB 3.93Å; L291-M348 HydrophobicContact CD2-CG 3.73Å; L291-M348 HydrophobicContact CG-CG 4.44Å; L291-L349 HydrophobicContact CB-CD2 4.01Å; L291-L349 HydrophobicContact CB-CG 4.13Å; L291-L349 HydrophobicContact CD1-CD2 3.86Å; L291-L349 HydrophobicContact CD1-CG 4.2Å; L291-L352 HydrophobicContact CD1-CD1 3.61Å
292A91.6Very high84.9Confident44 Ų4476.9 Ų76.936%0.36441%0.411SS..Hα-helixtrans-59.6-43.8175.500000112.4I288 I294 Q295 Q296I288-A292 PolarHBondContact O-N 3.27Å; I288-A292 VanDerWaalsContact O-N 3.12Å; A292-I294 VanDerWaalsContact C-N 3.35Å; A292-I294 PolarHBondContact O-N 2.76Å; A292-Q295 PolarHBondContact O-N 2.74Å; A292-Q296 WeakPolarHBondContact O-CB 3.45Å; A292-Q296 PolarHBondContact O-N 3.41Å
293Q90.9Very high86.7Confident72 Ų7276.9 Ų76.934%0.33641%0.408SS..Hα-helixtrans-62.8-39.1177.5-172.7179.940.700112.4S289 R290 L291 Q296 A297S289-Q293 WeakPolarHBondContact O-CB 3.4Å; S289-Q293 PolarHBondContact O-N 3.25Å; R290-Q293 PolarHBondContact O-N 3.3Å; L291-Q293 PolarHBondContact O-N 2.89Å; Q293-Q296 PolarHBondContact O-N 3.43Å; Q293-A297 WeakPolarHBondContact O-CB 3.28Å; Q293-A297 PolarHBondContact O-N 2.87Å
294I88.9Confident88.5Confident16 Ų1674.4 Ų74.48%0.08240%0.396CS..Hα-helixtrans-65.4-44.7176.1-74.3162.5000110.9R290 L291 A292 Q296 A297 K298 L349 F354R290-I294 HydrophobicContact CG-CD1 4Å; R290-I294 WeakPolarHBondContact O-CD1 3.19Å; R290-I294 WeakPolarHBondContact O-CG1 3.38Å; R290-I294 PolarHBondContact O-N 2.66Å; L291-I294 PolarHBondContact O-N 3.21Å; A292-I294 VanDerWaalsContact C-N 3.35Å; A292-I294 PolarHBondContact O-N 2.76Å; I294-Q296 PolarHBondContact O-N 3.44Å; I294-A297 PolarHBondContact O-N 2.8Å; I294-K298 HydrophobicContact CG2-CD 4.38Å; I294-K298 WeakPolarHBondContact O-CG 3.31Å; I294-K298 PolarHBondContact O-N 2.95Å; I294-L349 HydrophobicContact CD1-CD2 3.55Å; I294-F354 HydrophobicContact CD1-CB 4.22Å; I294-F354 HydrophobicContact CD1-CD1 3.88Å; I294-F354 HydrophobicContact CD1-CD2 3.95Å; I294-F354 HydrophobicContact CD1-CE1 4.23Å; I294-F354 HydrophobicContact CD1-CE2 4.31Å; I294-F354 HydrophobicContact CD1-CG 3.74Å; I294-F354 HydrophobicContact CD1-CZ 4.43Å; I294-F354 HydrophobicContact CG2-CD2 4.15Å; I294-F354 HydrophobicContact CG2-CE1 4.34Å; I294-F354 HydrophobicContact CG2-CE2 3.5Å; I294-F354 HydrophobicContact CG2-CZ 3.61Å
295Q90.4Very high90Very high2 Ų272.9 Ų72.91%0.00937%0.366CS..Hα-helixtrans-63.3-41176.8-69.3-52.1106.600112.4L291 A292 A297 K298 K299 E300 V325L291-Q295 WeakPolarHBondContact O-CG 3.16Å; L291-Q295 PolarHBondContact O-N 2.99Å; A292-Q295 PolarHBondContact O-N 2.74Å; Q295-A297 PolarHBondContact O-N 2.8Å; Q295-K298 CarbonylContact O-C 3.57Å; Q295-K298 PolarHBondContact O-N 2.96Å; Q295-K299 PolarHBondContact O-N 2.78Å; Q295-K299 VanDerWaalsContact O-N 3.08Å; Q295-E300 VanDerWaalsContact NE2-CB 3.29Å; Q295-E300 PolarHBondContact NE2-OE2 2.86Å; Q295-E300 PolarHBondContact O-N 2.94Å; Q295-E300 VanDerWaalsContact O-N 3.1Å; Q295-V325 HydrophobicContact CG-CG1 3.94Å
296Q90.4Very high90.8Very high157 Ų15773.1 Ų73.173%0.73437%0.366SS*.Hα-helixtrans-62.9-41.4174.6-168.117920.600111.9A292 Q293 I294 K298 K299A292-Q296 WeakPolarHBondContact O-CB 3.45Å; A292-Q296 PolarHBondContact O-N 3.41Å; Q293-Q296 PolarHBondContact O-N 3.43Å; I294-Q296 PolarHBondContact O-N 3.44Å; Q296-K298 VanDerWaalsContact C-N 3.34Å; Q296-K298 PolarHBondContact O-N 2.94Å; Q296-K299 PolarHBondContact O-N 3.48Å; Q296-K299 VanDerWaalsContact O-N 3.13Å
297A88.2Confident91Very high84 Ų8473.8 Ų73.869%0.69437%0.37SS*.Hα-helixtrans-65.8-34.6176.200000112.8Q293 I294 Q295 K299Q293-A297 WeakPolarHBondContact O-CB 3.28Å; Q293-A297 PolarHBondContact O-N 2.87Å; I294-A297 PolarHBondContact O-N 2.8Å; Q295-A297 PolarHBondContact O-N 2.8Å; A297-K299 VanDerWaalsContact C-N 3.27Å; A297-K299 PolarHBondContact O-N 2.71Å
298K86.4Confident91.1Very high90 Ų9076.6 Ų76.639%0.39138%0.383SS..Hα-helixtrans-75.6-9.3172.7-71.2-176.7173.2-169.80114.2I294 Q295 Q296 E300I294-K298 HydrophobicContact CG2-CD 4.38Å; I294-K298 WeakPolarHBondContact O-CG 3.31Å; I294-K298 PolarHBondContact O-N 2.95Å; Q295-K298 CarbonylContact O-C 3.57Å; Q295-K298 PolarHBondContact O-N 2.96Å; Q296-K298 VanDerWaalsContact C-N 3.34Å; Q296-K298 PolarHBondContact O-N 2.94Å; K298-E300 HydrophobicContact CB-CB 4.41Å; K298-E300 HydrophobicContact CB-CG 4.01Å; K298-E300 PolarHBondContact O-N 3.44Å
299K85.9Confident90.9Very high195 Ų19576.7 Ų76.785%0.84839%0.386SS*.THydrogen-bonded Turntrans57.430.7-171.8-54-178.3-179.5179.50113.7Q295 Q296 A297Q295-K299 PolarHBondContact O-N 2.78Å; Q295-K299 VanDerWaalsContact O-N 3.08Å; Q296-K299 PolarHBondContact O-N 3.48Å; Q296-K299 VanDerWaalsContact O-N 3.13Å; A297-K299 VanDerWaalsContact C-N 3.27Å; A297-K299 PolarHBondContact O-N 2.71Å
300E86.3Confident90.8Very high91 Ų9177.6 Ų77.643%0.42538%0.383SS..PPolyproline II helixtrans-93168.6178.1-75.6177.8-157.800112Q295 K298Q295-E300 VanDerWaalsContact NE2-CB 3.29Å; Q295-E300 PolarHBondContact NE2-OE2 2.86Å; Q295-E300 PolarHBondContact O-N 2.94Å; Q295-E300 VanDerWaalsContact O-N 3.1Å; K298-E300 HydrophobicContact CB-CB 4.41Å; K298-E300 HydrophobicContact CB-CG 4.01Å; K298-E300 PolarHBondContact O-N 3.44Å
301K88.6Confident90.4Very high155 Ų15583.2 Ų83.267%0.67440%0.404SS*.PPolyproline II helixtrans-57.1141.3172.1-169.4-170.5177.7-164.40110.2E304K301-E304 IonicContact NZ-OE2 2.71Å; K301-E304 PolarHBondContact NZ-OE2 2.97Å
302E89.4Confident89.8Confident163 Ų16386 Ų8676%0.76243%0.432SS*.PPolyproline II helixtrans-57.8148.1175.9-67.3-165.816000112.8E304E302-E304 PolarHBondContact O-N 2.86Å
303P93.3Very high89.2Confident17 Ų1790.2 Ų90.211%0.1145%0.448CS..PPolyproline II helixtrans-63.7119.7179.725.8-34.5000111.7L291 Y305 V323 V325L291-P303 HydrophobicContact CD2-CB 4.09Å; L291-P303 HydrophobicContact CG-CB 4.36Å; L291-P303 HydrophobicContact CG-CG 4.45Å; P303-Y305 HydrophobicContact CB-CE2 3.98Å; P303-Y305 HydrophobicContact CG-CE2 3.98Å; P303-Y305 VanDerWaalsContact O-CD2 3.26Å; P303-Y305 WeakPolarHBondContact O-CD2 3.4Å; P303-Y305 WeakPolarHBondContact O-CE2 3.46Å; P303-V323 HydrophobicContact CB-CG2 3.85Å; P303-V325 HydrophobicContact CB-CG2 3.76Å
304E94.4Very high88.6Confident86 Ų8691.9 Ų91.940%0.40247%0.465SS..EExtended strand (participates in β ladder)trans-90.5123.3-176.6-171.6169.2164.700110.3K301 E302 V323 K324K301-E304 IonicContact NZ-OE2 2.71Å; K301-E304 PolarHBondContact NZ-OE2 2.97Å; E302-E304 PolarHBondContact O-N 2.86Å; E304-V323 CarbonylContact O-C 3.38Å; E304-V323 VanDerWaalsContact O-CA 3.28Å; E304-V323 WeakPolarHBondContact O-CA 3.11Å; E304-K324 HydrophobicContact CB-CB 4.48Å; E304-K324 PolarHBondContact N-O 3.36Å; E304-K324 PolarHBondContact O-N 3.36Å
305Y95.1Very high88.1Confident49 Ų49102.6 Ų102.619%0.19251%0.505CS..EExtended strand (participates in β ladder)trans-111.5117.3-174.3-68.7-87000112.1I288 P303 Q322 V323 K341 A345I288-Y305 HydrophobicContact CG2-CE2 4.47Å; P303-Y305 HydrophobicContact CB-CE2 3.98Å; P303-Y305 HydrophobicContact CG-CE2 3.98Å; P303-Y305 VanDerWaalsContact O-CD2 3.26Å; P303-Y305 WeakPolarHBondContact O-CD2 3.4Å; P303-Y305 WeakPolarHBondContact O-CE2 3.46Å; Y305-Q322 CarbonylContact C-O 3.54Å; Y305-Q322 WeakPolarHBondContact CA-O 3.33Å; Y305-V323 HydrophobicContact CD1-CB 3.6Å; Y305-V323 HydrophobicContact CD1-CG2 3.63Å; Y305-V323 HydrophobicContact CD2-CG2 4.38Å; Y305-V323 HydrophobicContact CE1-CB 3.61Å; Y305-V323 HydrophobicContact CE1-CG1 4.41Å; Y305-V323 HydrophobicContact CE1-CG2 3.41Å; Y305-V323 VanDerWaalsContact CE1-CG2 3.41Å; Y305-V323 HydrophobicContact CE2-CG2 4.18Å; Y305-V323 HydrophobicContact CG-CB 4.41Å; Y305-V323 HydrophobicContact CG-CG2 4.13Å; Y305-K341 HydrophobicContact CD1-CD 4.04Å; Y305-K341 HydrophobicContact CD1-CG 3.57Å; Y305-K341 HydrophobicContact CD2-CD 4.39Å; Y305-K341 HydrophobicContact CE1-CD 4.3Å; Y305-K341 HydrophobicContact CE1-CG 3.63Å; Y305-K341 HydrophobicContact CG-CD 4.08Å; Y305-K341 HydrophobicContact CG-CG 4.12Å; Y305-A345 HydrophobicContact CE1-CB 4.25Å; Y305-A345 WeakPolarHBondContact OH-CB 3.46Å
306M95.7Very high87.7Confident79 Ų79112.6 Ų112.639%0.38954%0.542SS..EExtended strand (participates in β ladder)trans-114.1142.8180-59.9-172.4-65.100111.3M321 Q322M306-M321 CarbonylContact O-C 3.52Å; M306-M321 WeakPolarHBondContact O-CA 3.43Å; M306-M321 VanDerWaalsContact O-CE 3.28Å; M306-M321 WeakPolarHBondContact O-CE 3.42Å; M306-Q322 PolarHBondContact N-O 3.24Å; M306-Q322 PolarHBondContact O-N 3.45Å
307L96.1Very high87.6Confident72 Ų72110.7 Ų110.738%0.37753%0.528SS..EExtended strand (participates in β ladder)trans-89.3108.5171.6178.167.9000108.4F319 M321 K337L307-F319 HydrophobicContact CD1-CB 4.28Å; L307-F319 HydrophobicContact CD1-CD1 4.33Å; L307-M321 HydrophobicContact CB-SD 3.87Å; L307-M321 HydrophobicContact CD1-SD 3.75Å; L307-M321 HydrophobicContact CG-SD 4.43Å; L307-K337 HydrophobicContact CD2-CD 4.08Å; L307-K337 VanDerWaalsContact CD2-NZ 3.33Å
308L93.3Very high87.8Confident77 Ų77111.7 Ų111.740%0.40352%0.518SS..EExtended strand (participates in β ladder)trans-79.3-41.6179-75175000112.2V320 Q322 E331L308-V320 HydrophobicContact CD1-CG1 4.4Å; L308-V320 PolarHBondContact N-O 3.11Å; L308-Q322 HydrophobicContact CD1-CB 3.71Å; L308-Q322 HydrophobicContact CD1-CG 4.27Å; L308-Q322 HydrophobicContact CD2-CB 4.5Å; L308-Q322 HydrophobicContact CG-CB 3.83Å; L308-E331 HydrophobicContact CD1-CG 3.85Å; L308-E331 VanDerWaalsContact CD1-OE1 3.28Å; L308-E331 WeakPolarHBondContact CD1-OE1 3.48Å
309T89.6Confident88.2Confident39 Ų39108.1 Ų108.124%0.23950%0.503CS..EExtended strand (participates in β ladder)trans-151.7130.4-167-70.80000110.6R311 F319 V320T309-R311 HydrophobicContact CG2-CB 3.93Å; T309-R311 HydrophobicContact CG2-CG 3.43Å; T309-R311 VanDerWaalsContact CG2-CG 3.43Å; T309-F319 WeakPolarHBondContact O-CA 3.37Å; T309-V320 HydrophobicContact CG2-CG2 4.48Å; T309-V320 PolarHBondContact N-O 3.12Å; T309-V320 PolarHBondContact O-N 3.02Å
310E90.7Very high88.7Confident81 Ų81100.3 Ų100.338%0.37947%0.471SS..EExtended strand (participates in β ladder)trans-117.8104.5165.7177.6165.7174.100106.3R317 F319 K337E310-R317 IonicContact OE1-CZ 3.95Å; E310-R317 IonicContact OE1-NH1 3.72Å; E310-R317 PolarHBondContact OE1-NH1 2.78Å; E310-F319 HydrophobicContact CB-CD1 4.12Å; E310-F319 HydrophobicContact CB-CE1 4.33Å; E310-F319 HydrophobicContact CG-CD1 3.81Å; E310-F319 HydrophobicContact CG-CE1 3.55Å; E310-F319 HydrophobicContact CG-CZ 4.4Å; E310-F319 WeakPolarHBondContact OE1-CE1 3.43Å; E310-F319 WeakPolarHBondContact OE2-CE1 3.42Å; E310-K337 WeakPolarHBondContact OE2-CE 3.45Å; E310-K337 IonicContact OE2-NZ 2.59Å; E310-K337 PolarHBondContact OE2-NZ 2.85Å
311R82.1Confident89.2Confident179 Ų17996.4 Ų96.468%0.67545%0.453SS*.EExtended strand (participates in β ladder)trans-127168.6-177.2-84.1175.8-162.8-173.96.3110.4T309 E318T309-R311 HydrophobicContact CG2-CB 3.93Å; T309-R311 HydrophobicContact CG2-CG 3.43Å; T309-R311 VanDerWaalsContact CG2-CG 3.43Å; R311-E318 PolarHBondContact N-O 2.84Å; R311-E318 PolarHBondContact O-N 3.34Å; R311-E318 VanDerWaalsContact O-O 3.14Å
312G78.3Confident89.6Confident57 Ų5790.4 Ų90.459%0.58843%0.428SS*.SBendtrans96.4163.1176.300000114.4
313L78.9Confident89.9Confident133 Ų13382.7 Ų82.770%0.69639%0.392SS*.  trans-64.3151.9-178.2-72.8145.5000110.8R315 R316 R317L313-R315 PolarHBondContact O-N 3.36Å; L313-R316 CarbonylContact O-C 3.25Å; L313-R316 WeakPolarHBondContact O-CA 3.3Å; L313-R316 PolarHBondContact O-N 3.46Å; L313-R317 PolarHBondContact O-N 3.38Å; L313-R317 VanDerWaalsContact O-N 3.11Å
314P78.8Confident90Very high107 Ų10786.7 Ų86.770%0.69541%0.407SS*.THydrogen-bonded Turntrans-52.4-27.9179-30.236.3000115.5
315R78.9Confident90Very high242 Ų24282.7 Ų82.791%0.91339%0.389SS*.THydrogen-bonded Turntrans-86.2-14176.6-164.6-179.9-72.5-157.4-0.3114.2L313L313-R315 PolarHBondContact O-N 3.36Å
316R81.6Confident89.6Confident212 Ų21282.6 Ų82.680%0.840%0.403SS*.SBendtrans-145.366.2178.5-71.6-172.3177.9172.60109.4L313L313-R316 CarbonylContact O-C 3.25Å; L313-R316 WeakPolarHBondContact O-CA 3.3Å; L313-R316 PolarHBondContact O-N 3.46Å
317R88.8Confident89.3Confident117 Ų11786.7 Ų86.744%0.44243%0.426SS..  trans-74.1144.9173.2-65.4-168.4-171.9-151.7-0.9110.2E310 L313 F319E310-R317 IonicContact OE1-CZ 3.95Å; E310-R317 IonicContact OE1-NH1 3.72Å; E310-R317 PolarHBondContact OE1-NH1 2.78Å; L313-R317 PolarHBondContact O-N 3.38Å; L313-R317 VanDerWaalsContact O-N 3.11Å; R317-F319 HydrophobicContact CB-CE2 3.75Å; R317-F319 HydrophobicContact CB-CZ 3.99Å
318E92Very high89.1Confident104 Ų10487.5 Ų87.549%0.48643%0.428SS..EExtended strand (participates in β ladder)trans-125.6130.4173.7-178.1167.9-147.600108.6R311R311-E318 PolarHBondContact N-O 2.84Å; R311-E318 PolarHBondContact O-N 3.34Å; R311-E318 VanDerWaalsContact O-O 3.14Å
319F95.5Very high89.2Confident16 Ų1687.5 Ų87.57%0.0743%0.431CS..EExtended strand (participates in β ladder)trans-115.8128.2-179.9-57.3-91.5000108.3L307 T309 E310 R317 A333 G334 T335 N336 K337 A340L307-F319 HydrophobicContact CD1-CB 4.28Å; L307-F319 HydrophobicContact CD1-CD1 4.33Å; T309-F319 WeakPolarHBondContact O-CA 3.37Å; E310-F319 HydrophobicContact CB-CD1 4.12Å; E310-F319 HydrophobicContact CB-CE1 4.33Å; E310-F319 HydrophobicContact CG-CD1 3.81Å; E310-F319 HydrophobicContact CG-CE1 3.55Å; E310-F319 HydrophobicContact CG-CZ 4.4Å; E310-F319 WeakPolarHBondContact OE1-CE1 3.43Å; E310-F319 WeakPolarHBondContact OE2-CE1 3.42Å; R317-F319 HydrophobicContact CB-CE2 3.75Å; R317-F319 HydrophobicContact CB-CZ 3.99Å; F319-A333 CarbonylContact O-C 3.02Å; F319-A333 WeakPolarHBondContact O-CA 3.2Å; F319-G334 PolarHBondContact N-O 3.48Å; F319-G334 PolarHBondContact O-N 2.99Å; F319-T335 WeakPolarHBondContact CD2-O 3.46Å; F319-T335 WeakPolarHBondContact CE2-O 3.42Å; F319-N336 VanDerWaalsContact CD2-CA 3.46Å; F319-K337 HydrophobicContact CB-CG 4.22Å; F319-K337 HydrophobicContact CD1-CD 4.01Å; F319-K337 HydrophobicContact CD1-CG 3.3Å; F319-K337 HydrophobicContact CD2-CG 4.43Å; F319-K337 HydrophobicContact CE1-CD 4.04Å; F319-K337 HydrophobicContact CE1-CG 3.59Å; F319-K337 HydrophobicContact CG-CG 3.74Å; F319-K337 HydrophobicContact CZ-CG 4.3Å; F319-A340 HydrophobicContact CB-CB 4.02Å; F319-A340 WeakPolarHBondContact O-CB 3.27Å
320V95.5Very high89.5Confident30 Ų3085.9 Ų85.918%0.18242%0.422CS..EExtended strand (participates in β ladder)trans-106.1113.6172.4-172.80000108.1L308 T309 E331 A333L308-V320 HydrophobicContact CD1-CG1 4.4Å; L308-V320 PolarHBondContact N-O 3.11Å; T309-V320 HydrophobicContact CG2-CG2 4.48Å; T309-V320 PolarHBondContact N-O 3.12Å; T309-V320 PolarHBondContact O-N 3.02Å; V320-E331 HydrophobicContact CG1-CB 4.4Å; V320-A333 HydrophobicContact CG2-CB 4.43Å
321M97.3Very high89.8Confident9 Ų986.6 Ų86.64%0.04443%0.425CS..EExtended strand (participates in β ladder)trans-100.9131.7174.6-73.5-67-47.800109M306 L307 E331 G332 A340 K341 A344M306-M321 CarbonylContact O-C 3.52Å; M306-M321 WeakPolarHBondContact O-CA 3.43Å; M306-M321 VanDerWaalsContact O-CE 3.28Å; M306-M321 WeakPolarHBondContact O-CE 3.42Å; L307-M321 HydrophobicContact CB-SD 3.87Å; L307-M321 HydrophobicContact CD1-SD 3.75Å; L307-M321 HydrophobicContact CG-SD 4.43Å; M321-E331 CarbonylContact O-C 3.54Å; M321-E331 WeakPolarHBondContact O-CA 3.23Å; M321-G332 PolarHBondContact N-O 3.49Å; M321-G332 PolarHBondContact O-N 3.31Å; M321-A340 HydrophobicContact CB-CB 3.98Å; M321-A340 HydrophobicContact CG-CB 3.53Å; M321-K341 HydrophobicContact CG-CB 4.21Å; M321-A344 HydrophobicContact CB-CB 4.22Å; M321-A344 WeakPolarHBondContact O-CB 3.5Å
322Q96.5Very high90.4Very high29 Ų2978.2 Ų78.214%0.13639%0.394CS..EExtended strand (participates in β ladder)trans-97145.8165.7-164.217773.100109.2Y305 M306 L308 A330 E331Y305-Q322 CarbonylContact C-O 3.54Å; Y305-Q322 WeakPolarHBondContact CA-O 3.33Å; M306-Q322 PolarHBondContact N-O 3.24Å; M306-Q322 PolarHBondContact O-N 3.45Å; L308-Q322 HydrophobicContact CD1-CB 3.71Å; L308-Q322 HydrophobicContact CD1-CG 4.27Å; L308-Q322 HydrophobicContact CD2-CB 4.5Å; L308-Q322 HydrophobicContact CG-CB 3.83Å; Q322-A330 CarbonylContact C-O 3.52Å; Q322-A330 VanDerWaalsContact CA-O 3.31Å; Q322-A330 WeakPolarHBondContact CA-O 3.43Å; Q322-E331 HydrophobicContact CB-CG 4.02Å; Q322-E331 HydrophobicContact CG-CG 3.77Å; Q322-E331 PolarHBondContact NE2-OE1 2.85Å
323V96.2Very high91.2Very high1 Ų177.5 Ų77.51%0.00638%0.383CS..EExtended strand (participates in β ladder)trans-123.7136.3166.563.90000109.4L291 P303 E304 Y305 V325 T329 A330 A344 M348L291-V323 HydrophobicContact CD2-CG2 4.23Å; P303-V323 HydrophobicContact CB-CG2 3.85Å; E304-V323 CarbonylContact O-C 3.38Å; E304-V323 VanDerWaalsContact O-CA 3.28Å; E304-V323 WeakPolarHBondContact O-CA 3.11Å; Y305-V323 HydrophobicContact CD1-CB 3.6Å; Y305-V323 HydrophobicContact CD1-CG2 3.63Å; Y305-V323 HydrophobicContact CD2-CG2 4.38Å; Y305-V323 HydrophobicContact CE1-CB 3.61Å; Y305-V323 HydrophobicContact CE1-CG1 4.41Å; Y305-V323 HydrophobicContact CE1-CG2 3.41Å; Y305-V323 VanDerWaalsContact CE1-CG2 3.41Å; Y305-V323 HydrophobicContact CE2-CG2 4.18Å; Y305-V323 HydrophobicContact CG-CB 4.41Å; Y305-V323 HydrophobicContact CG-CG2 4.13Å; V323-V325 HydrophobicContact CG2-CG2 4.21Å; V323-T329 WeakPolarHBondContact O-CA 3.23Å; V323-A330 HydrophobicContact CG1-CB 3.97Å; V323-A330 PolarHBondContact N-O 2.99Å; V323-A330 PolarHBondContact O-N 3.43Å; V323-A344 HydrophobicContact CB-CB 4.43Å; V323-A344 HydrophobicContact CG1-CB 4.06Å; V323-A344 VanDerWaalsContact CG1-O 3.23Å; V323-A344 WeakPolarHBondContact CG1-O 2.93Å; V323-M348 HydrophobicContact CG1-CB 3.63Å; V323-M348 HydrophobicContact CG1-CE 3.93Å; V323-M348 HydrophobicContact CG1-CG 4.11Å; V323-M348 WeakPolarHBondContact O-CE 3.38Å
324K95Very high91.9Very high102 Ų10271.8 Ų71.844%0.44336%0.356SS..EExtended strand (participates in β ladder)trans-114.9129.8177-176174.8-178.5177.40109.9E304 H328 T329E304-K324 HydrophobicContact CB-CB 4.48Å; E304-K324 PolarHBondContact N-O 3.36Å; E304-K324 PolarHBondContact O-N 3.36Å; K324-H328 WeakPolarHBondContact CA-O 3.25Å; K324-T329 HydrophobicContact CB-CG2 4.15Å; K324-T329 HydrophobicContact CD-CG2 4.39Å; K324-T329 HydrophobicContact CG-CG2 3.96Å
325V93.8Very high92.6Very high2 Ų271.3 Ų71.31%0.01235%0.351CS..EExtended strand (participates in β ladder)trans-137.7105.2-179.6-1780000108.7L291 Q295 P303 V323 N327 H328 M348 L352L291-V325 HydrophobicContact CD1-CG2 4.41Å; L291-V325 HydrophobicContact CD2-CG2 4.26Å; Q295-V325 HydrophobicContact CG-CG1 3.94Å; P303-V325 HydrophobicContact CB-CG2 3.76Å; V323-V325 HydrophobicContact CG2-CG2 4.21Å; V325-N327 PolarHBondContact O-N 3.43Å; V325-N327 VanDerWaalsContact O-N 3.11Å; V325-H328 PolarHBondContact N-O 3.1Å; V325-H328 PolarHBondContact O-N 3.36Å; V325-M348 HydrophobicContact CB-CE 4.02Å; V325-M348 HydrophobicContact CB-CG 4.16Å; V325-M348 HydrophobicContact CB-SD 3.78Å; V325-M348 HydrophobicContact CG2-CE 3.95Å; V325-M348 HydrophobicContact CG2-CG 3.61Å; V325-M348 HydrophobicContact CG2-SD 3.87Å; V325-L352 HydrophobicContact CB-CD1 4.49Å; V325-L352 HydrophobicContact CG1-CD1 4.02Å
326G87.4Confident93.3Very high47 Ų4764.4 Ų64.449%0.48533%0.332SS..THydrogen-bonded Turntrans54.8-116.5-171.800000111.3
327N89.1Confident93.8Very high165 Ų16558.9 Ų58.988%0.88231%0.314SS*.THydrogen-bonded Turntrans-91.6-4.2179.1-64.6-7.9000113.8V325V325-N327 PolarHBondContact O-N 3.43Å; V325-N327 VanDerWaalsContact O-N 3.11Å
328H92.4Very high94.1Very high89 Ų8961.1 Ų61.141%0.41233%0.327SS..EExtended strand (participates in β ladder)trans-98.4143.5-179.7-59.1-70.9000111.4K324 V325 M348 I351K324-H328 WeakPolarHBondContact CA-O 3.25Å; V325-H328 PolarHBondContact N-O 3.1Å; V325-H328 PolarHBondContact O-N 3.36Å; H328-M348 HydrophobicContact CB-CE 4.06Å; H328-M348 HydrophobicContact CB-SD 3.86Å; H328-M348 WeakPolarHBondContact O-CE 3.28Å; H328-I351 HydrophobicContact CB-CG2 4.08Å
329T95.4Very high94.1Very high77 Ų7758.3 Ų58.347%0.47232%0.317SS..EExtended strand (participates in β ladder)trans-128.8136.1171.348.10000109.6V323 K324V323-T329 WeakPolarHBondContact O-CA 3.23Å; K324-T329 HydrophobicContact CB-CG2 4.15Å; K324-T329 HydrophobicContact CD-CG2 4.39Å; K324-T329 HydrophobicContact CG-CG2 3.96Å
330A95.8Very high94.1Very high5 Ų557.6 Ų57.64%0.04131%0.314CS..EExtended strand (participates in β ladder)trans-133.2147.9177.600000110.1Q322 V323 N347 M348 I351Q322-A330 CarbonylContact C-O 3.52Å; Q322-A330 VanDerWaalsContact CA-O 3.31Å; Q322-A330 WeakPolarHBondContact CA-O 3.43Å; V323-A330 HydrophobicContact CG1-CB 3.97Å; V323-A330 PolarHBondContact N-O 2.99Å; V323-A330 PolarHBondContact O-N 3.43Å; A330-N347 HydrophobicContact CB-CB 4.16Å; A330-M348 HydrophobicContact CB-CB 3.82Å; A330-M348 HydrophobicContact CB-CE 3.7Å; A330-M348 HydrophobicContact CB-SD 4.45Å; A330-I351 HydrophobicContact CB-CD1 3.8Å
331E96.3Very high94.1Very high96 Ų9659.6 Ų59.645%0.44932%0.32SS..EExtended strand (participates in β ladder)trans-120.4145179.8-69.5177.5-160.600110.7L308 V320 M321 Q322 N347L308-E331 HydrophobicContact CD1-CG 3.85Å; L308-E331 VanDerWaalsContact CD1-OE1 3.28Å; L308-E331 WeakPolarHBondContact CD1-OE1 3.48Å; V320-E331 HydrophobicContact CG1-CB 4.4Å; M321-E331 CarbonylContact O-C 3.54Å; M321-E331 WeakPolarHBondContact O-CA 3.23Å; Q322-E331 HydrophobicContact CB-CG 4.02Å; Q322-E331 HydrophobicContact CG-CG 3.77Å; Q322-E331 PolarHBondContact NE2-OE1 2.85Å; E331-N347 PolarHBondContact O-ND2 3.37Å
332G95.6Very high94.1Very high2 Ų264.1 Ų64.12%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-141.6121.2178.300000111.2M321 A340M321-G332 PolarHBondContact N-O 3.49Å; M321-G332 PolarHBondContact O-N 3.31Å; G332-A340 WeakPolarHBondContact O-CB 3.19Å
333A95.3Very high94Very high43 Ų4365.1 Ų65.136%0.35534%0.343SS..EExtended strand (participates in β ladder)trans-84.4153.8172.700000111.4F319 V320 N343F319-A333 CarbonylContact O-C 3.02Å; F319-A333 WeakPolarHBondContact O-CA 3.2Å; V320-A333 HydrophobicContact CG2-CB 4.43Å; A333-N343 PolarHBondContact O-ND2 3.01Å
334G93.8Very high94Very high12 Ų1265 Ų6512%0.12434%0.342CS..EExtended strand (participates in β ladder)trans-175.3160171.900000113.6F319 N336F319-G334 PolarHBondContact N-O 3.48Å; F319-G334 PolarHBondContact O-N 2.99Å; G334-N336 PolarHBondContact O-N 2.93Å; G334-N336 VanDerWaalsContact O-N 3.14Å
335T92.4Very high94.1Very high97 Ų9760.2 Ų60.260%0.59532%0.321SS*.SBendtrans-63.8-19-17854.40000114.5F319F319-T335 WeakPolarHBondContact CD2-O 3.46Å; F319-T335 WeakPolarHBondContact CE2-O 3.42Å
336N93.3Very high94.1Very high98 Ų9863.4 Ų63.452%0.52434%0.336SS..SBendtrans-138.2147.8177.9-74.6-25.8000109.5F319 G334 K338 V339 A340F319-N336 VanDerWaalsContact CD2-CA 3.46Å; G334-N336 PolarHBondContact O-N 2.93Å; G334-N336 VanDerWaalsContact O-N 3.14Å; N336-K338 PolarHBondContact O-N 2.86Å; N336-V339 HydrophobicContact CB-CG2 4.31Å; N336-V339 PolarHBondContact O-N 2.98Å; N336-A340 PolarHBondContact O-N 2.89Å
337K93.1Very high94.4Very high95 Ų9564.3 Ų64.341%0.41333%0.33SS..Hα-helixtrans-48.3-33.9175.1-60.6-172.6-174.5-1690113.5L307 E310 F319 K341L307-K337 HydrophobicContact CD2-CD 4.08Å; L307-K337 VanDerWaalsContact CD2-NZ 3.33Å; E310-K337 WeakPolarHBondContact OE2-CE 3.45Å; E310-K337 IonicContact OE2-NZ 2.59Å; E310-K337 PolarHBondContact OE2-NZ 2.85Å; F319-K337 HydrophobicContact CB-CG 4.22Å; F319-K337 HydrophobicContact CD1-CD 4.01Å; F319-K337 HydrophobicContact CD1-CG 3.3Å; F319-K337 HydrophobicContact CD2-CG 4.43Å; F319-K337 HydrophobicContact CE1-CD 4.04Å; F319-K337 HydrophobicContact CE1-CG 3.59Å; F319-K337 HydrophobicContact CG-CG 3.74Å; F319-K337 HydrophobicContact CZ-CG 4.3Å; K337-K341 VanDerWaalsContact O-CB 3.23Å; K337-K341 WeakPolarHBondContact O-CB 3.42Å; K337-K341 PolarHBondContact O-N 3.14Å
338K93.7Very high94.7Very high165 Ų16556.4 Ų56.472%0.71729%0.288SS*.Hα-helixtrans-72.5-34.8176.8-171.6175.8-177.3177.40114N336 R342N336-K338 PolarHBondContact O-N 2.86Å; K338-R342 PolarHBondContact O-N 2.96Å
339V93.6Very high94.7Very high45 Ų4552.3 Ų52.327%0.27327%0.269SS..Hα-helixtrans-76.1-47.2176.5177.10000109.3N336 K341 R342 N343N336-V339 HydrophobicContact CB-CG2 4.31Å; N336-V339 PolarHBondContact O-N 2.98Å; V339-K341 VanDerWaalsContact C-N 3.31Å; V339-K341 PolarHBondContact O-N 3.33Å; V339-R342 WeakPolarHBondContact O-CA 3.22Å; V339-R342 WeakPolarHBondContact O-CB 3.39Å; V339-R342 PolarHBondContact O-N 2.59Å; V339-N343 VanDerWaalsContact O-CG 3.3Å; V339-N343 PolarHBondContact O-N 2.99Å; V339-N343 PolarHBondContact O-OD1 2.95Å
340A95.8Very high94.5Very high0 Ų055.5 Ų55.50%028%0.278CS..Hα-helixtrans-52.2-47.6172.500000112.1F319 M321 G332 N336 R342 N343 A344F319-A340 HydrophobicContact CB-CB 4.02Å; F319-A340 WeakPolarHBondContact O-CB 3.27Å; M321-A340 HydrophobicContact CB-CB 3.98Å; M321-A340 HydrophobicContact CG-CB 3.53Å; G332-A340 WeakPolarHBondContact O-CB 3.19Å; N336-A340 PolarHBondContact O-N 2.89Å; A340-R342 VanDerWaalsContact C-N 3.31Å; A340-R342 PolarHBondContact O-N 3.02Å; A340-N343 PolarHBondContact O-N 3.42Å; A340-A344 WeakPolarHBondContact O-CB 3.3Å; A340-A344 PolarHBondContact O-N 2.93Å
341K95.6Very high94.3Very high73 Ų7359.3 Ų59.332%0.31730%0.297SS..Hα-helixtrans-61.4-35.1175.7-175.7173.5-68.7-159.60113.1I288 Y305 M321 K337 V339 A345I288-K341 HydrophobicContact CD1-CB 4.41Å; I288-K341 HydrophobicContact CD1-CD 4.34Å; I288-K341 HydrophobicContact CD1-CG 3.94Å; I288-K341 HydrophobicContact CG1-CG 4.47Å; Y305-K341 HydrophobicContact CD1-CD 4.04Å; Y305-K341 HydrophobicContact CD1-CG 3.57Å; Y305-K341 HydrophobicContact CD2-CD 4.39Å; Y305-K341 HydrophobicContact CE1-CD 4.3Å; Y305-K341 HydrophobicContact CE1-CG 3.63Å; Y305-K341 HydrophobicContact CG-CD 4.08Å; Y305-K341 HydrophobicContact CG-CG 4.12Å; M321-K341 HydrophobicContact CG-CB 4.21Å; K337-K341 VanDerWaalsContact O-CB 3.23Å; K337-K341 WeakPolarHBondContact O-CB 3.42Å; K337-K341 PolarHBondContact O-N 3.14Å; V339-K341 VanDerWaalsContact C-N 3.31Å; V339-K341 PolarHBondContact O-N 3.33Å; K341-A345 PolarHBondContact O-N 2.68Å
342R95.6Very high94Very high104 Ų10456.1 Ų56.139%0.39228%0.283SS..Hα-helixtrans-67-50.4175.5-177.4-172.6-76.2150.9-6.6110.8N286 P287 I288 K338 V339 A340 A344 A345 E346N286-R342 PolarHBondContact OD1-NE 3.1Å; P287-R342 HydrophobicContact CG-CG 3.5Å; I288-R342 HydrophobicContact CD1-CB 4.17Å; I288-R342 HydrophobicContact CG1-CB 4.36Å; K338-R342 PolarHBondContact O-N 2.96Å; V339-R342 WeakPolarHBondContact O-CA 3.22Å; V339-R342 WeakPolarHBondContact O-CB 3.39Å; V339-R342 PolarHBondContact O-N 2.59Å; A340-R342 VanDerWaalsContact C-N 3.31Å; A340-R342 PolarHBondContact O-N 3.02Å; R342-A344 VanDerWaalsContact C-N 3.3Å; R342-A344 PolarHBondContact O-N 2.93Å; R342-A345 WeakPolarHBondContact O-CB 3.28Å; R342-A345 PolarHBondContact O-N 2.68Å; R342-A345 VanDerWaalsContact O-N 3.13Å; R342-E346 PolarHBondContact O-N 2.93Å
343N95.3Very high93.4Very high49 Ų4959 Ų5926%0.26231%0.312SS..Hα-helixtrans-64.1-37.4-177.9-61.14.4000110.8A333 V339 A340 A345 E346 N347A333-N343 PolarHBondContact O-ND2 3.01Å; V339-N343 VanDerWaalsContact O-CG 3.3Å; V339-N343 PolarHBondContact O-N 2.99Å; V339-N343 PolarHBondContact O-OD1 2.95Å; A340-N343 PolarHBondContact O-N 3.42Å; N343-A345 PolarHBondContact O-N 3.1Å; N343-E346 WeakPolarHBondContact O-CB 3.46Å; N343-E346 PolarHBondContact O-N 3.11Å; N343-N347 VanDerWaalsContact O-CG 3.3Å; N343-N347 PolarHBondContact O-N 2.86Å; N343-N347 PolarHBondContact O-OD1 3.18Å
344A96.8Very high92.7Very high0 Ų060.6 Ų60.60%031%0.311CS..Hα-helixtrans-62.7-41.717400000111.9M321 V323 A340 R342 M348M321-A344 HydrophobicContact CB-CB 4.22Å; M321-A344 WeakPolarHBondContact O-CB 3.5Å; V323-A344 HydrophobicContact CB-CB 4.43Å; V323-A344 HydrophobicContact CG1-CB 4.06Å; V323-A344 VanDerWaalsContact CG1-O 3.23Å; V323-A344 WeakPolarHBondContact CG1-O 2.93Å; A340-A344 WeakPolarHBondContact O-CB 3.3Å; A340-A344 PolarHBondContact O-N 2.93Å; R342-A344 VanDerWaalsContact C-N 3.3Å; R342-A344 PolarHBondContact O-N 2.93Å; A344-M348 WeakPolarHBondContact O-CB 3.27Å; A344-M348 PolarHBondContact O-N 3.49Å
345A95.5Very high91.3Very high0 Ų069.5 Ų69.50%035%0.347CS..Hα-helixtrans-68.3-33.117600000113I288 L291 Y305 K341 R342 N343 L349I288-A345 HydrophobicContact CB-CB 4.35Å; I288-A345 HydrophobicContact CG1-CB 3.94Å; L291-A345 HydrophobicContact CD2-CB 4Å; Y305-A345 HydrophobicContact CE1-CB 4.25Å; Y305-A345 WeakPolarHBondContact OH-CB 3.46Å; K341-A345 PolarHBondContact O-N 2.68Å; R342-A345 WeakPolarHBondContact O-CB 3.28Å; R342-A345 PolarHBondContact O-N 2.68Å; R342-A345 VanDerWaalsContact O-N 3.13Å; N343-A345 PolarHBondContact O-N 3.1Å; A345-L349 VanDerWaalsContact O-CG 3.31Å; A345-L349 WeakPolarHBondContact O-CG 3.31Å; A345-L349 PolarHBondContact O-N 3.09Å
346E93.8Very high89.7Confident69 Ų6967.5 Ų67.532%0.32233%0.334SS..Hα-helixtrans-66.3-50.2175-172.8165.4-173.900111.2P287 R342 N343 M348 L349 E350 V356P287-E346 HydrophobicContact CB-CB 4.25Å; P287-E346 HydrophobicContact CG-CB 4.26Å; R342-E346 PolarHBondContact O-N 2.93Å; N343-E346 WeakPolarHBondContact O-CB 3.46Å; N343-E346 PolarHBondContact O-N 3.11Å; E346-M348 VanDerWaalsContact C-N 3.26Å; E346-M348 PolarHBondContact O-N 2.87Å; E346-L349 WeakPolarHBondContact O-CB 3.37Å; E346-L349 PolarHBondContact O-N 3.24Å; E346-L349 VanDerWaalsContact O-N 3.1Å; E346-E350 PolarHBondContact O-N 3.11Å; E346-E350 VanDerWaalsContact O-N 3.08Å; E346-V356 HydrophobicContact CG-CG1 4.45Å; E346-V356 HydrophobicContact CG-CG2 4.33Å
347N94.9Very high87.7Confident66 Ų6666.8 Ų66.835%0.35334%0.335SS..Hα-helixtrans-60.5-35.4174.9-65.5-5.9000112.1A330 E331 N343 E350 I351A330-N347 HydrophobicContact CB-CB 4.16Å; E331-N347 PolarHBondContact O-ND2 3.37Å; N343-N347 VanDerWaalsContact O-CG 3.3Å; N343-N347 PolarHBondContact O-N 2.86Å; N343-N347 PolarHBondContact O-OD1 3.18Å; N347-E350 PolarHBondContact O-N 2.92Å; N347-I351 WeakPolarHBondContact O-CG1 3.39Å; N347-I351 PolarHBondContact O-N 3.23Å
348M94.9Very high85.7Confident0 Ų070.1 Ų70.10%035%0.352CS..Hα-helixtrans-68.5-39.2174.4-177.555.574.800113L291 V323 V325 H328 A330 A344 E346 E350 I351 L352L291-M348 HydrophobicContact CD1-CB 4.48Å; L291-M348 HydrophobicContact CD1-CG 3.81Å; L291-M348 HydrophobicContact CD2-CB 3.93Å; L291-M348 HydrophobicContact CD2-CG 3.73Å; L291-M348 HydrophobicContact CG-CG 4.44Å; V323-M348 HydrophobicContact CG1-CB 3.63Å; V323-M348 HydrophobicContact CG1-CE 3.93Å; V323-M348 HydrophobicContact CG1-CG 4.11Å; V323-M348 WeakPolarHBondContact O-CE 3.38Å; V325-M348 HydrophobicContact CB-CE 4.02Å; V325-M348 HydrophobicContact CB-CG 4.16Å; V325-M348 HydrophobicContact CB-SD 3.78Å; V325-M348 HydrophobicContact CG2-CE 3.95Å; V325-M348 HydrophobicContact CG2-CG 3.61Å; V325-M348 HydrophobicContact CG2-SD 3.87Å; H328-M348 HydrophobicContact CB-CE 4.06Å; H328-M348 HydrophobicContact CB-SD 3.86Å; H328-M348 WeakPolarHBondContact O-CE 3.28Å; A330-M348 HydrophobicContact CB-CB 3.82Å; A330-M348 HydrophobicContact CB-CE 3.7Å; A330-M348 HydrophobicContact CB-SD 4.45Å; A344-M348 WeakPolarHBondContact O-CB 3.27Å; A344-M348 PolarHBondContact O-N 3.49Å; E346-M348 VanDerWaalsContact C-N 3.26Å; E346-M348 PolarHBondContact O-N 2.87Å; M348-E350 VanDerWaalsContact C-N 3.29Å; M348-E350 PolarHBondContact O-N 2.98Å; M348-I351 PolarHBondContact O-N 3.27Å; M348-L352 HydrophobicContact CG-CD1 3.87Å; M348-L352 HydrophobicContact CG-CG 4.43Å; M348-L352 WeakPolarHBondContact O-CB 3.28Å; M348-L352 VanDerWaalsContact O-CG 3.22Å; M348-L352 WeakPolarHBondContact O-CG 3.45Å; M348-L352 PolarHBondContact O-N 3.14Å; M348-L352 HydrophobicContact SD-CD1 3.97Å; M348-L352 HydrophobicContact SD-CG 4.01Å
349L92.7Very high83.7Confident3 Ų366.5 Ų66.52%0.01635%0.353CS..Hα-helixtrans-61.9-39.5174.3-75.4168.6000111.4P287 R290 L291 I294 A345 E346 L352 G353 F354 V356P287-L349 HydrophobicContact CB-CD1 3.66Å; R290-L349 HydrophobicContact CB-CD1 4.25Å; R290-L349 HydrophobicContact CG-CD1 4.25Å; R290-L349 HydrophobicContact CG-CD2 4.38Å; L291-L349 HydrophobicContact CB-CD2 4.01Å; L291-L349 HydrophobicContact CB-CG 4.13Å; L291-L349 HydrophobicContact CD1-CD2 3.86Å; L291-L349 HydrophobicContact CD1-CG 4.2Å; I294-L349 HydrophobicContact CD1-CD2 3.55Å; A345-L349 VanDerWaalsContact O-CG 3.31Å; A345-L349 WeakPolarHBondContact O-CG 3.31Å; A345-L349 PolarHBondContact O-N 3.09Å; E346-L349 WeakPolarHBondContact O-CB 3.37Å; E346-L349 PolarHBondContact O-N 3.24Å; E346-L349 VanDerWaalsContact O-N 3.1Å; L349-L352 CarbonylContact O-C 3.53Å; L349-L352 PolarHBondContact O-N 3.35Å; L349-G353 PolarHBondContact O-N 3.15Å; L349-F354 HydrophobicContact CB-CB 4.42Å; L349-F354 HydrophobicContact CD2-CB 4.09Å; L349-F354 HydrophobicContact CD2-CD2 4.48Å; L349-F354 WeakPolarHBondContact O-CA 3.36Å; L349-F354 PolarHBondContact O-N 3.23Å; L349-V356 HydrophobicContact CB-CG2 3.95Å; L349-V356 HydrophobicContact CD1-CG2 3.87Å
350E91.4Very high80.8Confident144 Ų14473 Ų7367%0.67338%0.38SS*.Hα-helixtrans-63.5-47.7175.6-173.4169.2-153.800112.2E346 N347 M348 L352 G353E346-E350 PolarHBondContact O-N 3.11Å; E346-E350 VanDerWaalsContact O-N 3.08Å; N347-E350 PolarHBondContact O-N 2.92Å; M348-E350 VanDerWaalsContact C-N 3.29Å; M348-E350 PolarHBondContact O-N 2.98Å; E350-L352 VanDerWaalsContact C-N 3.27Å; E350-L352 PolarHBondContact O-N 3.13Å; E350-G353 PolarHBondContact O-N 3.26Å
351I91.9Very high78.2Confident85 Ų8577.3 Ų77.344%0.43641%0.408SS..Hα-helixtrans-59.6-37.2175.4-69.8163.7000111.8H328 A330 N347 M348 G353H328-I351 HydrophobicContact CB-CG2 4.08Å; A330-I351 HydrophobicContact CB-CD1 3.8Å; N347-I351 WeakPolarHBondContact O-CG1 3.39Å; N347-I351 PolarHBondContact O-N 3.23Å; M348-I351 PolarHBondContact O-N 3.27Å; I351-G353 PolarHBondContact O-N 3.43Å
352L88.1Confident75.7Confident29 Ų2980.5 Ų80.515%0.15243%0.434CS..THydrogen-bonded Turntrans-78.74.7176.6-66.3170.7000113.6L291 V325 M348 L349 E350 F354L291-L352 HydrophobicContact CD1-CD1 3.61Å; V325-L352 HydrophobicContact CB-CD1 4.49Å; V325-L352 HydrophobicContact CG1-CD1 4.02Å; M348-L352 HydrophobicContact CG-CD1 3.87Å; M348-L352 HydrophobicContact CG-CG 4.43Å; M348-L352 WeakPolarHBondContact O-CB 3.28Å; M348-L352 VanDerWaalsContact O-CG 3.22Å; M348-L352 WeakPolarHBondContact O-CG 3.45Å; M348-L352 PolarHBondContact O-N 3.14Å; M348-L352 HydrophobicContact SD-CD1 3.97Å; M348-L352 HydrophobicContact SD-CG 4.01Å; L349-L352 CarbonylContact O-C 3.53Å; L349-L352 PolarHBondContact O-N 3.35Å; E350-L352 VanDerWaalsContact C-N 3.27Å; E350-L352 PolarHBondContact O-N 3.13Å; L352-F354 VanDerWaalsContact C-N 3.3Å; L352-F354 HydrophobicContact CB-CD2 3.63Å; L352-F354 HydrophobicContact CB-CE2 3.88Å; L352-F354 WeakPolarHBondContact O-CD2 3.42Å; L352-F354 WeakPolarHBondContact O-CE2 3.35Å; L352-F354 PolarHBondContact O-N 2.82Å
353G83.3Confident72.8Confident61 Ų6184.9 Ų84.963%0.62946%0.456SS*.THydrogen-bonded Turntrans79.23.1177.200000115.3L349 E350 I351 K355L349-G353 PolarHBondContact O-N 3.15Å; E350-G353 PolarHBondContact O-N 3.26Å; I351-G353 PolarHBondContact O-N 3.43Å; G353-K355 PolarHBondContact O-N 2.82Å; G353-K355 VanDerWaalsContact O-N 3.16Å
354F81.4Confident70.3Confident77 Ų7787.8 Ų87.834%0.33848%0.478SS..  trans-85.886.1178.5-62-76.7000110I294 L349 L352 V356I294-F354 HydrophobicContact CD1-CB 4.22Å; I294-F354 HydrophobicContact CD1-CD1 3.88Å; I294-F354 HydrophobicContact CD1-CD2 3.95Å; I294-F354 HydrophobicContact CD1-CE1 4.23Å; I294-F354 HydrophobicContact CD1-CE2 4.31Å; I294-F354 HydrophobicContact CD1-CG 3.74Å; I294-F354 HydrophobicContact CD1-CZ 4.43Å; I294-F354 HydrophobicContact CG2-CD2 4.15Å; I294-F354 HydrophobicContact CG2-CE1 4.34Å; I294-F354 HydrophobicContact CG2-CE2 3.5Å; I294-F354 HydrophobicContact CG2-CZ 3.61Å; L349-F354 HydrophobicContact CB-CB 4.42Å; L349-F354 HydrophobicContact CD2-CB 4.09Å; L349-F354 HydrophobicContact CD2-CD2 4.48Å; L349-F354 WeakPolarHBondContact O-CA 3.36Å; L349-F354 PolarHBondContact O-N 3.23Å; L352-F354 VanDerWaalsContact C-N 3.3Å; L352-F354 HydrophobicContact CB-CD2 3.63Å; L352-F354 HydrophobicContact CB-CE2 3.88Å; L352-F354 WeakPolarHBondContact O-CD2 3.42Å; L352-F354 WeakPolarHBondContact O-CE2 3.35Å; L352-F354 PolarHBondContact O-N 2.82Å; F354-V356 PolarHBondContact O-N 2.88Å
355K63.6Low67.5Low199 Ų19992.1 Ų92.187%0.86551%0.513SS*.  trans-48.4110.2177.2-73.5-169.7176.6-174.40111.5G353 P357G353-K355 PolarHBondContact O-N 2.82Å; G353-K355 VanDerWaalsContact O-N 3.16Å; K355-P357 WeakPolarHBondContact O-CD 3.46Å
356V59.3Low65Low56 Ų56100.3 Ų100.334%0.33956%0.556SS.*  trans-74.5123.3161.5179.80000106.4E346 L349 F354 Q358E346-V356 HydrophobicContact CG-CG1 4.45Å; E346-V356 HydrophobicContact CG-CG2 4.33Å; L349-V356 HydrophobicContact CB-CG2 3.95Å; L349-V356 HydrophobicContact CD1-CG2 3.87Å; F354-V356 PolarHBondContact O-N 2.88Å; V356-Q358 PolarHBondContact O-N 2.84Å
357P51.8Low62.6Low82 Ų82106.8 Ų106.853%0.53258%0.583SS.*  trans-60.4115.9170.7-21.133.1000108.4Q283 K355 A359Q283-P357 HydrophobicContact CG-CG 4.41Å; K355-P357 WeakPolarHBondContact O-CD 3.46Å; P357-A359 PolarHBondContact O-N 2.96Å
358Q51.2Low59.8Low165 Ų165109.2 Ų109.277%0.77161%0.605SS**  trans-51.8119.5174.9-173.8-176.935.100108.3V356 Q360V356-Q358 PolarHBondContact O-N 2.84Å; Q358-Q360 PolarHBondContact O-N 2.83Å
359A50.8Low57.1Low89 Ų89118.4 Ų118.474%0.73665%0.648SS**  trans-58.3111.317600000107.9P357 P361P357-A359 PolarHBondContact O-N 2.96Å; A359-P361 WeakPolarHBondContact O-CD 3.34Å; A359-P361 VanDerWaalsContact O-N 3.07Å
360Q32.8Very low54.2Low182 Ų182127 Ų12785%0.8569%0.688SS**  trans-54.7119.6-173.8-78.4-171.2-10.400109.4Q358 T362Q358-Q360 PolarHBondContact O-N 2.83Å; Q360-T362 PolarHBondContact O-N 3.36Å
361P41.6Very low51.5Low90 Ų90129.3 Ų129.358%0.58470%0.696SS**  trans-62.3129.8170.325.7-31.6000107.7A359 K363A359-P361 WeakPolarHBondContact O-CD 3.34Å; A359-P361 VanDerWaalsContact O-N 3.07Å; P361-K363 PolarHBondContact O-N 2.98Å
362T43Very low48.7Very low141 Ų141132 Ų13287%0.86572%0.717SS**  trans-58.1107.9168.845.60000108Q360 P364Q360-T362 PolarHBondContact O-N 3.36Å; T362-P364 WeakPolarHBondContact O-CD 3.49Å
363K34.5Very low46.1Very low196 Ų196136.2 Ų136.285%0.85275%0.746SS**  trans-20.1104.8-173.6-61.7175.9-178.4179.40114.7P361 A365P361-K363 PolarHBondContact O-N 2.98Å; K363-A365 PolarHBondContact O-N 3.24Å
364P42.8Very low43.8Very low110 Ų110141.5 Ų141.571%0.71476%0.758SS**  trans-70.7104.8147.430-28.5000106.9T362 L366T362-P364 WeakPolarHBondContact O-CD 3.49Å; P364-L366 PolarHBondContact O-N 3.32Å; P364-L366 VanDerWaalsContact O-N 3.11Å
365A39.1Very low41.5Very low91 Ų91147.4 Ų147.475%0.75278%0.783SS**  trans-7695.1170.200000108.7K363K363-A365 PolarHBondContact O-N 3.24Å
366L42.1Very low40Very low171 Ų171147.6 Ų147.690%0.89578%0.784SS**  trans-168.1134.7153.4-102151.5000109.4P364P364-L366 PolarHBondContact O-N 3.32Å; P364-L366 VanDerWaalsContact O-N 3.11Å
367K43.9Very low39.1Very low205 Ų205151.2 Ų151.289%0.89181%0.809SS**  trans-82.6141.6-174.8-58.3167.41791760110.2
368S36.5Very low38Very low117 Ų117151.1 Ų151.182%0.81882%0.823SS**  trans-162.6100.8146.7470000109.6
369E37.5Very low36.9Very low194 Ų194151.5 Ų151.591%0.90783%0.83SS**  trans-68.7122.2157.3-58.3-86.2145.300107.1
370E31.1Very low36.1Very low183 Ų183150.1 Ų150.186%0.85583%0.825SS**  trans-150116.7153.6-153.2166.1140.600111.6
371K35.3Very low36.4Very low192 Ų192153.2 Ų153.284%0.83583%0.829SS**  trans-77.1143.5167.9-73.2173.6177.1172.50108.8P373K371-P373 WeakPolarHBondContact O-CD 3.05Å
372T34.3Very low36.2Very low141 Ų141158.6 Ų158.687%0.86584%0.843SS**  trans-55.9142.9168.6460000112.6
373P33.5Very low35.7Very low118 Ų118157.7 Ų157.777%0.76684%0.837SS**  trans-128.1163.7142.829.9-14000113.4K371K371-P373 WeakPolarHBondContact O-CD 3.05Å
374I34.8Very low35.7Very low172 Ų172154.8 Ų154.888%0.88284%0.836SS**  trans-86.4144.6-167.6-72.9154.8000112.1
375K31.8Very low35.2Very low201 Ų201158.6 Ų158.687%0.87484%0.842SS**  trans-66.7136.8173.5-92.7-177.7170179.10113.4
376K32.9Very low34.7Very low204 Ų204164.3 Ų164.389%0.88785%0.85SS**  trans-142.2155.5140-79.9-165.1177.4-179.10110
377P39.3Very low34.2Very low131 Ų131164.3 Ų164.385%0.85185%0.845SS**  trans-106.9167.1-169.640-34.1000115.3
378G28.6Very low34Very low81 Ų81160.6 Ų160.684%0.83584%0.842SS**  trans96.4142.3-179.900000112.1
379D29Very low33.5Very low172 Ų172158.2 Ų158.292%0.9284%0.837SS**  cis-159171.82.8177.531.1000108.7
380G34.3Very low33Very low61 Ų61154.7 Ų154.763%0.62983%0.833SS**  trans100106.6152.300000118.4
381R39.8Very low32.9Very low246 Ų246149 Ų14993%0.92882%0.824SS**  trans-52.1146164.9-69.7167.1164.9151-7.7113.3
382K36.2Very low32.7Very low203 Ų203147.5 Ų147.588%0.88383%0.825SS**  -169.5140.6111.643-152.8166-175.20113.4
383V32.7Very low32.5Very low122 Ų122148 Ų14874%0.73982%0.817SS**  trans-101.1135.1178.91760000107.9F385V383-F385 HydrophobicContact CG1-CD2 3.93Å; V383-F385 HydrophobicContact CG1-CE2 3.88Å
384T34.9Very low32.2Very low135 Ų135149.4 Ų149.483%0.82882%0.818SS**  trans-132.4116.6163.449.70000108.9
385F31.7Very low31.9Very low190 Ų190144 Ų14483%0.83381%0.806SS**  trans-66.3153.2170.9-76.1-112.7000110.2V383V383-F385 HydrophobicContact CG1-CD2 3.93Å; V383-F385 HydrophobicContact CG1-CE2 3.88Å
386F29.6Very low31.7Very low212 Ų212140.8 Ų140.893%0.9380%0.803SS**  trans-141.3127.7152.6-141.1-93000109.2
387E29.8Very low31.4Very low170 Ų170135.8 Ų135.879%0.79479%0.794SS**  trans-106.1148.1-174.7-170.8172.9165.200109
388P40.6Very low30.9Very low127 Ų127137 Ų13783%0.82579%0.793SS**  trans-93.3149.9-172.435.6-34.1000113.7
389G26.3Very low31.3Very low68 Ų68141.8 Ų141.870%0.70179%0.79SS**  trans-155.3162.615500000108.7
390S27.4Very low31.2Very low120 Ų120143 Ų14384%0.83979%0.791SS**  cis164.9117.3-11.742.90000104.8
391G28.6Very low31Very low63 Ų63147.2 Ų147.265%0.64980%0.799SS**  trans75.1158.3163.600000117.9
392D30.1Very low30.5Very low161 Ų161144.8 Ų144.886%0.86180%0.798SS**  cis-170.8162-4.7-81.7-41.2000106.9
393E31.6Very low30.1Very low152 Ų152143.6 Ų143.671%0.7179%0.793SS**  cis-162.2179.8-12.3-125.4-70.367.900109.3
394N26.3Very low29.7Very low146 Ų146149.4 Ų149.478%0.78180%0.802SS**  trans76.4135.2167.2-67.1-57.1000118.1
395G27.8Very low29.5Very low60 Ų60149.7 Ų149.762%0.61980%0.796SS**  cis-179.5155.1-600000115.6
396T28.8Very low29.4Very low133 Ų133146.3 Ų146.382%0.81679%0.793SS**  trans58.7109.7150.260.70000122.9
397S26.1Very low29.3Very low99 Ų99146.9 Ų146.969%0.69279%0.79SS**  68.8148.3121.578.50000120.3
398N29.2Very low29.9Very low156 Ų156146.1 Ų146.183%0.83479%0.791SS**  cis-136.1167.714-85.4-69.4000112.6
399K35.9Very low29.4Very low181 Ų181144.8 Ų144.879%0.78778%0.784SS**  trans-101.5148.9164.5-69.1-179.7176.5-1770110.6
400E28.5Very low30.4Very low198 Ų198150.3 Ų150.393%0.92579%0.791SS**  trans-136.9101.9149.554.5-165.214600109.5
401D29.2Very low30.9Very low149 Ų149153.1 Ų153.180%0.79779%0.791SS**  trans-88.7104170.1-95.9-66.1000107.7
402E29.3Very low31.5Very low195 Ų195158.6 Ų158.691%0.91180%0.8SS**  trans-99.9133.3170.7-164.6167116.500112.8
403F28.2Very low32Very low179 Ų179157.5 Ų157.579%0.78579%0.794SS**  trans-84121.8-158.9-154.1-103.7000112.7M405F403-M405 HydrophobicContact CD1-CG 4.49Å; F403-M405 HydrophobicContact CE1-CG 4.07Å; F403-M405 HydrophobicContact CE1-SD 4.1Å; F403-M405 HydrophobicContact CZ-SD 4.41Å
404R24.4Very low32.2Very low243 Ų243155.4 Ų155.492%0.91779%0.793SS**  trans-145.5112.1160-157.8169.6-175.7134.32.1114.5
405M30.8Very low33Very low142 Ų142153.8 Ų153.870%0.780%0.8SS**PPolyproline II helixtrans-62.7139.6-177.3-66.1-80.2-77.400114.7F403F403-M405 HydrophobicContact CD1-CG 4.49Å; F403-M405 HydrophobicContact CE1-CG 4.07Å; F403-M405 HydrophobicContact CE1-SD 4.1Å; F403-M405 HydrophobicContact CZ-SD 4.41Å
406P29.3Very low33.9Very low119 Ų119154.7 Ų154.777%0.77381%0.81SS**PPolyproline II helixtrans-88.3128.1149.728.9-20.2000110.8
407Y28.1Very low34.6Very low223 Ų223154.6 Ų154.688%0.87580%0.803SS**PPolyproline II helixtrans-60.2151-171.5-146.8-109.9000114.9S409Y407-S409 PolarHBondContact O-N 2.89Å
408L40.9Very low35.6Very low154 Ų154157.3 Ų157.381%0.80681%0.809SS**PPolyproline II helixtrans-46.1126.2171.6-128.770.8000111.9
409S30.8Very low36.4Very low99 Ų99155.7 Ų155.769%0.69281%0.806SS**  trans-113118.9161.273.40000109.5Y407 Q411Y407-S409 PolarHBondContact O-N 2.89Å; S409-Q411 PolarHBondContact O-N 3.29Å
410H46.8Very low36.6Very low184 Ų184153.2 Ų153.285%0.85280%0.799SS**  trans-55.3102.7164-105.858.2000108.5Q412H410-Q412 PolarHBondContact O-N 2.94Å
411Q37.7Very low37.5Very low179 Ų179147.8 Ų147.884%0.83678%0.78SS**  trans-80.4106.8160.3-80.8-156.191.300108.2S409S409-Q411 PolarHBondContact O-N 3.29Å
412Q42Very low38.7Very low178 Ų178145.6 Ų145.683%0.83277%0.773SS**PPolyproline II helixtrans-53.3143.8171.3-65.3172.6-71.100110.2H410H410-Q412 PolarHBondContact O-N 2.94Å
413L40.3Very low39.8Very low139 Ų139143.8 Ų143.873%0.72877%0.765SS**PPolyproline II helixtrans-52.8141.4166.7-65.6171.6000109.9A415L413-A415 PolarHBondContact O-N 3.2Å
414P36.9Very low40.7Very low107 Ų107139.2 Ų139.270%0.69575%0.751SS**PPolyproline II helixtrans-54136.7175.5-26.835000112.1G416P414-G416 PolarHBondContact O-N 3.03Å
415A41.2Very low41.8Very low113 Ų113130.3 Ų130.393%0.93473%0.729SS**THydrogen-bonded Turntrans-57.9121.5179.800000111.2L413L413-A415 PolarHBondContact O-N 3.2Å
416G47.2Very low42.7Very low79 Ų79131.5 Ų131.581%0.81473%0.734SS**THydrogen-bonded Turntrans142.5-11.5179.400000115.5P414P414-G416 PolarHBondContact O-N 3.03Å
417I44.4Very low43.4Very low131 Ų131130.1 Ų130.167%0.67273%0.732SS**  trans-102.3100.6173.7-55.5175.6000108.7
418L46.8Very low44.2Very low156 Ų156124.5 Ų124.582%0.81772%0.72SS**  trans-78.8139.6159-72.8169.3000108.2M420L418-M420 PolarHBondContact O-N 3.19Å; L418-M420 VanDerWaalsContact O-N 3.09Å
419P46.6Very low44.3Very low121 Ų121120.4 Ų120.479%0.78672%0.715SS**  trans-64.1112.3166.927.5-31.9000108.2
420M38.9Very low44.4Very low130 Ų130122.2 Ų122.264%0.6472%0.722SS**  trans-74.1130.4179.5-166.4173.368.800109.3L418 V424 A425L418-M420 PolarHBondContact O-N 3.19Å; L418-M420 VanDerWaalsContact O-N 3.09Å; M420-V424 HydrophobicContact CG-CB 4.45Å; M420-A425 HydrophobicContact CE-CB 3.79Å
421V48.7Very low43.7Very low84 Ų84118.5 Ų118.551%0.50972%0.717SS.*  trans-64.1132178.5-179.10000109.1E423 V424V421-E423 PolarHBondContact O-N 3.19Å; V421-E423 VanDerWaalsContact O-N 3.07Å; V421-V424 PolarHBondContact O-N 3.09Å; V421-V424 VanDerWaalsContact O-N 3.09Å
422P54.3Low43.5Very low102 Ų102119.3 Ų119.366%0.66272%0.721SS**Hα-helixtrans-54-31.4-172.1-3136.7000115.9V424 A425P422-V424 VanDerWaalsContact C-N 3.31Å; P422-V424 PolarHBondContact O-N 3.41Å; P422-A425 WeakPolarHBondContact O-CB 3.49Å; P422-A425 PolarHBondContact O-N 3.23Å
423E51.8Low42.8Very low158 Ų158114.2 Ų114.274%0.73872%0.716SS**Hα-helixtrans-63.4-31.9179.7-7216811800113.4V421 A425 Q426V421-E423 PolarHBondContact O-N 3.19Å; V421-E423 VanDerWaalsContact O-N 3.07Å; E423-A425 VanDerWaalsContact C-N 3.31Å; E423-A425 PolarHBondContact O-N 3.02Å; E423-Q426 PolarHBondContact O-N 3.28Å
424V47.8Very low42.5Very low83 Ų83116.3 Ų116.350%0.50372%0.722SS.*Hα-helixtrans-74.7-24.4-179.1-1750000111.7M420 V421 P422 Q426M420-V424 HydrophobicContact CG-CB 4.45Å; V421-V424 PolarHBondContact O-N 3.09Å; V421-V424 VanDerWaalsContact O-N 3.09Å; P422-V424 VanDerWaalsContact C-N 3.31Å; P422-V424 PolarHBondContact O-N 3.41Å; V424-Q426 VanDerWaalsContact C-N 3.33Å; V424-Q426 PolarHBondContact O-N 2.86Å
425A47.3Very low42.3Very low55 Ų55119.8 Ų119.846%0.45573%0.728SS.*Hα-helixtrans-66.8-33.617800000112.7M420 P422 E423 A427M420-A425 HydrophobicContact CE-CB 3.79Å; P422-A425 WeakPolarHBondContact O-CB 3.49Å; P422-A425 PolarHBondContact O-N 3.23Å; E423-A425 VanDerWaalsContact C-N 3.31Å; E423-A425 PolarHBondContact O-N 3.02Å; A425-A427 VanDerWaalsContact C-N 3.33Å; A425-A427 PolarHBondContact O-N 3.28Å
426Q49.9Very low41.8Very low168 Ų168120.8 Ų120.879%0.78572%0.723SS**Hα-helixtrans-72.8-25.9-175.8-64.2-176.3-1.200112.7E423 V424 V428E423-Q426 PolarHBondContact O-N 3.28Å; V424-Q426 VanDerWaalsContact C-N 3.33Å; V424-Q426 PolarHBondContact O-N 2.86Å; Q426-V428 VanDerWaalsContact C-N 3.31Å; Q426-V428 PolarHBondContact O-N 3.03Å
427A43.5Very low41.3Very low89 Ų89124.7 Ų124.774%0.73672%0.718SS**THydrogen-bonded Turntrans-76.6-9.9-175.400000115A425A425-A427 VanDerWaalsContact C-N 3.33Å; A425-A427 PolarHBondContact O-N 3.28Å
428V44.1Very low40.6Very low105 Ų105125.3 Ų125.364%0.63672%0.722SS**THydrogen-bonded Turntrans-104.8-6.9-168.3-166.50000113.6Q426 V430Q426-V428 VanDerWaalsContact C-N 3.31Å; Q426-V428 PolarHBondContact O-N 3.03Å; V428-V430 VanDerWaalsContact C-N 3.29Å; V428-V430 HydrophobicContact CG1-CG2 4.46Å; V428-V430 PolarHBondContact O-N 2.91Å
429G43.3Very low40.1Very low68 Ų68124.6 Ų124.670%0.70171%0.713SS**  trans61.721.1160.200000117.8S431G429-S431 PolarHBondContact O-N 3.02Å
430V33.6Very low39.6Very low138 Ų138124.9 Ų124.984%0.83671%0.712SS**  trans-90.989.1178.3-174.20000110.6V428V428-V430 VanDerWaalsContact C-N 3.29Å; V428-V430 HydrophobicContact CG1-CG2 4.46Å; V428-V430 PolarHBondContact O-N 2.91Å
431S32.6Very low39.8Very low106 Ų106129.7 Ų129.774%0.74172%0.724SS**  trans-102.2124.1167.148.70000110.5G429G429-S431 PolarHBondContact O-N 3.02Å
432Q32.7Very low39.6Very low195 Ų195129.1 Ų129.191%0.91173%0.728SS**  trans176.2115.2147.7-88.5-104.1-1.600108.5
433G27.3Very low39.3Very low72 Ų72128.3 Ų128.374%0.74273%0.73SS**  trans148.388.4-176.800000111H435G433-H435 PolarHBondContact O-N 2.85Å
434H34.8Very low39.4Very low183 Ų183125.1 Ų125.185%0.84772%0.723SS**  trans-61.3120-179.3-7579.1000110.9
435H31.9Very low40.2Very low179 Ų179125.5 Ų125.583%0.82972%0.722SS**  trans177.156.8141.2-86.3-50.6000111G433G433-H435 PolarHBondContact O-N 2.85Å
436T30.2Very low41.3Very low135 Ų135127.5 Ų127.583%0.82873%0.73SS**  trans-10184.4162.9540000108.8
437K35.9Very low42.4Very low160 Ų160122.5 Ų122.570%0.69672%0.718SS**  trans-83.6129.1156-76.4-174.4176.4-179.80106.9F439K437-F439 PolarHBondContact O-N 2.94Å; K437-F439 VanDerWaalsContact O-N 3.14Å
438D29.8Very low44Very low144 Ų144124.3 Ų124.377%0.7771%0.709SS**  trans-62.6112.8-169.2-54.7-85.6000112.2T440D438-T440 PolarHBondContact O-N 3.13Å
439F37.8Very low45.7Very low142 Ų142120.7 Ų120.762%0.62369%0.69SS**  trans-75.377.3167.8-73.3-75.2000109.5K437 R441K437-F439 PolarHBondContact O-N 2.94Å; K437-F439 VanDerWaalsContact O-N 3.14Å; F439-R441 PolarHBondContact O-N 3.31Å
440T34.8Very low47.7Very low126 Ų126120 Ų12077%0.77367%0.672SS**  trans-57.6105.4171.4-54.50000108.9D438 A442D438-T440 PolarHBondContact O-N 3.13Å; T440-A442 VanDerWaalsContact C-N 3.31Å; T440-A442 PolarHBondContact O-N 3.32Å
441R43.3Very low50.2Low232 Ų232115.7 Ų115.788%0.87565%0.646SS**  trans-72.481.7-173.8-172-179.6-179.1178.5-0.1111.2F439F439-R441 PolarHBondContact O-N 3.31Å
442A45.7Very low52.8Low72 Ų72111.1 Ų111.160%0.59561%0.614SS**  trans-61.4142.4168.400000110.4T440T440-A442 VanDerWaalsContact C-N 3.31Å; T440-A442 PolarHBondContact O-N 3.32Å
443A46.6Very low55.4Low85 Ų85101.8 Ų101.870%0.70257%0.57SS**  trans-63.5144.3176.900000111N445A443-N445 PolarHBondContact O-N 3.07Å
444P53.8Low58.3Low91 Ų91102.5 Ų102.559%0.59156%0.555SS**  trans-59.8114.1176.70.11.6000111P446 Q526P444-P446 WeakPolarHBondContact O-CD 3.47Å; P444-Q526 HydrophobicContact CB-CG 3.75Å; P444-Q526 HydrophobicContact CG-CG 4.32Å
445N65.3Low60.9Low90 Ų9093.8 Ų93.848%0.48152%0.515SS..  trans-88.7111.1167.7-175.6-20.3000108.3A443 A447 K448 A449A443-N445 PolarHBondContact O-N 3.07Å; N445-A447 VanDerWaalsContact C-N 3.26Å; N445-A447 PolarHBondContact O-N 3.41Å; N445-A447 WeakPolarHBondContact OD1-CB 3.35Å; N445-A447 PolarHBondContact OD1-N 3.16Å; N445-A447 VanDerWaalsContact OD1-N 3.16Å; N445-K448 HydrophobicContact CB-CB 4.32Å; N445-K448 HydrophobicContact CB-CG 4.37Å; N445-K448 WeakPolarHBondContact O-CB 3.36Å; N445-K448 PolarHBondContact O-N 2.85Å; N445-A449 PolarHBondContact O-N 2.93Å
446P70.4Confident63.6Low98 Ų9885.2 Ų85.264%0.63648%0.475SS*.Hα-helixtrans-61.4-33.6-17524.3-33.7000112.6P444 K448 A449 T450P444-P446 WeakPolarHBondContact O-CD 3.47Å; P446-K448 VanDerWaalsContact C-N 3.26Å; P446-K448 PolarHBondContact O-N 2.92Å; P446-A449 WeakPolarHBondContact O-CB 3.4Å; P446-A449 PolarHBondContact O-N 3.26Å; P446-T450 PolarHBondContact O-N 2.92Å; P446-T450 VanDerWaalsContact O-N 3.09Å; P446-T450 PolarHBondContact O-OG1 3.4Å
447A72.4Confident66.4Low63 Ų6382.1 Ų82.152%0.52145%0.448SS..Hα-helixtrans-61.7-3517700000112.3N445 V451N445-A447 VanDerWaalsContact C-N 3.26Å; N445-A447 PolarHBondContact O-N 3.41Å; N445-A447 WeakPolarHBondContact OD1-CB 3.35Å; N445-A447 PolarHBondContact OD1-N 3.16Å; N445-A447 VanDerWaalsContact OD1-N 3.16Å; A447-V451 WeakPolarHBondContact O-CG2 3.3Å; A447-V451 PolarHBondContact O-N 2.58Å
448K77.6Confident69Low126 Ų12676.8 Ų76.855%0.54843%0.426SS..Hα-helixtrans-67-37.1174-82-161172.7-1620111.9N445 P446 T452 Q500N445-K448 HydrophobicContact CB-CB 4.32Å; N445-K448 HydrophobicContact CB-CG 4.37Å; N445-K448 WeakPolarHBondContact O-CB 3.36Å; N445-K448 PolarHBondContact O-N 2.85Å; P446-K448 VanDerWaalsContact C-N 3.26Å; P446-K448 PolarHBondContact O-N 2.92Å; K448-T452 PolarHBondContact O-N 2.81Å; K448-T452 PolarHBondContact O-OG1 2.81Å; K448-Q500 PolarHBondContact O-NE2 3.07Å
449A79.8Confident71.7Confident29 Ų2969.9 Ų69.924%0.2439%0.389CS..Hα-helixtrans-66.3-45.7177.700000111.8N445 P446 V451 T452 A453N445-A449 PolarHBondContact O-N 2.93Å; P446-A449 WeakPolarHBondContact O-CB 3.4Å; P446-A449 PolarHBondContact O-N 3.26Å; A449-V451 PolarHBondContact O-N 3.46Å; A449-T452 WeakPolarHBondContact O-CB 3.25Å; A449-T452 PolarHBondContact O-N 2.81Å; A449-A453 PolarHBondContact O-N 2.93Å
450T84.6Confident74.1Confident53 Ų5365.5 Ų65.533%0.32537%0.372SS..Hα-helixtrans-58.8-46.5176.4-54.90000112.1P446 T452 A453 M454P446-T450 PolarHBondContact O-N 2.92Å; P446-T450 VanDerWaalsContact O-N 3.09Å; P446-T450 PolarHBondContact O-OG1 3.4Å; T450-T452 VanDerWaalsContact C-N 3.33Å; T450-T452 PolarHBondContact O-N 3.27Å; T450-A453 PolarHBondContact O-N 2.79Å; T450-M454 WeakPolarHBondContact O-CG 3.49Å; T450-M454 PolarHBondContact O-N 3.18Å
451V86.5Confident76.4Confident48 Ų4869.4 Ų69.429%0.29137%0.374SS..Hα-helixtrans-61.7-40.7176.2171.90000111.6A447 A449 A453 M454 I455 I471A447-V451 WeakPolarHBondContact O-CG2 3.3Å; A447-V451 PolarHBondContact O-N 2.58Å; A449-V451 PolarHBondContact O-N 3.46Å; V451-A453 VanDerWaalsContact C-N 3.33Å; V451-A453 PolarHBondContact O-N 3.06Å; V451-M454 PolarHBondContact O-N 3.43Å; V451-I455 HydrophobicContact CG1-CD1 3.79Å; V451-I455 WeakPolarHBondContact O-CD1 3.28Å; V451-I455 VanDerWaalsContact O-CG1 3.3Å; V451-I455 WeakPolarHBondContact O-CG1 3.5Å; V451-I455 PolarHBondContact O-N 2.84Å; V451-I455 VanDerWaalsContact O-N 3.07Å; V451-I471 HydrophobicContact CG1-CD1 3.62Å
452T87.4Confident78.1Confident10 Ų1060.8 Ų60.86%0.06136%0.357CS..Hα-helixtrans-60.7-43.3175.4-48.10000111.4K448 A449 T450 I455 A456 L496 Q500 F502 L553K448-T452 PolarHBondContact O-N 2.81Å; K448-T452 PolarHBondContact O-OG1 2.81Å; A449-T452 WeakPolarHBondContact O-CB 3.25Å; A449-T452 PolarHBondContact O-N 2.81Å; T450-T452 VanDerWaalsContact C-N 3.33Å; T450-T452 PolarHBondContact O-N 3.27Å; T452-I455 PolarHBondContact O-N 3.11Å; T452-A456 WeakPolarHBondContact O-CB 3.41Å; T452-A456 PolarHBondContact O-N 2.84Å; T452-L496 HydrophobicContact CG2-CD1 4.15Å; T452-L496 HydrophobicContact CG2-CD2 4.3Å; T452-L496 HydrophobicContact CG2-CG 4.48Å; T452-Q500 HydrophobicContact CG2-CG 4.27Å; T452-Q500 WeakPolarHBondContact OG1-CG 3.35Å; T452-Q500 PolarHBondContact OG1-NE2 3.33Å; T452-F502 HydrophobicContact CG2-CE1 4.19Å; T452-L553 HydrophobicContact CG2-CD2 4.04Å
453A88.2Confident79.7Confident0 Ų057.9 Ų57.90%033%0.334CS..Hα-helixtrans-66.8-39.7179.400000112.4A449 T450 V451 A456 R457 L553 D557A449-A453 PolarHBondContact O-N 2.93Å; T450-A453 PolarHBondContact O-N 2.79Å; V451-A453 VanDerWaalsContact C-N 3.33Å; V451-A453 PolarHBondContact O-N 3.06Å; A453-A456 PolarHBondContact O-N 3.48Å; A453-R457 WeakPolarHBondContact O-CG 3.23Å; A453-R457 PolarHBondContact O-N 3.22Å; A453-L553 VanDerWaalsContact CA-O 3.3Å; A453-L553 WeakPolarHBondContact CA-O 3.22Å; A453-L553 WeakPolarHBondContact CB-O 3.46Å; A453-D557 HydrophobicContact CB-CB 3.73Å
454M87.9Confident81.3Confident86 Ų8656.9 Ų56.942%0.42432%0.319SS..Hα-helixtrans-61-50174.2-72-179.96500111.7T450 V451 A456 R457 E458T450-M454 WeakPolarHBondContact O-CG 3.49Å; T450-M454 PolarHBondContact O-N 3.18Å; V451-M454 PolarHBondContact O-N 3.43Å; M454-A456 VanDerWaalsContact C-N 3.33Å; M454-A456 PolarHBondContact O-N 3.03Å; M454-R457 WeakPolarHBondContact O-CB 3.19Å; M454-R457 PolarHBondContact O-N 2.98Å; M454-E458 WeakPolarHBondContact O-CG 3.37Å; M454-E458 PolarHBondContact O-N 3.27Å
455I88.8Confident82.7Confident0 Ų052.6 Ų52.60%029%0.292CS..Hα-helixtrans-62-42178.3-61.8160000110.8V451 T452 R457 E458 L459 S465 T467 A468 I471 L496 V499V451-I455 HydrophobicContact CG1-CD1 3.79Å; V451-I455 WeakPolarHBondContact O-CD1 3.28Å; V451-I455 VanDerWaalsContact O-CG1 3.3Å; V451-I455 WeakPolarHBondContact O-CG1 3.5Å; V451-I455 PolarHBondContact O-N 2.84Å; V451-I455 VanDerWaalsContact O-N 3.07Å; T452-I455 PolarHBondContact O-N 3.11Å; I455-R457 VanDerWaalsContact C-N 3.31Å; I455-R457 PolarHBondContact O-N 2.76Å; I455-E458 PolarHBondContact O-N 3.13Å; I455-L459 HydrophobicContact CG2-CD1 3.85Å; I455-L459 HydrophobicContact CG2-CG 4.24Å; I455-L459 WeakPolarHBondContact O-CG 3.43Å; I455-L459 PolarHBondContact O-N 3.21Å; I455-S465 WeakPolarHBondContact CG2-OG 3.45Å; I455-T467 HydrophobicContact CD1-CG2 4.31Å; I455-T467 HydrophobicContact CG1-CG2 3.76Å; I455-A468 HydrophobicContact CD1-CB 4.45Å; I455-A468 HydrophobicContact CG1-CB 4.37Å; I455-A468 HydrophobicContact CG2-CB 3.79Å; I455-I471 HydrophobicContact CD1-CD1 3.8Å; I455-L496 HydrophobicContact CB-CD1 3.81Å; I455-L496 HydrophobicContact CD1-CD1 4.34Å; I455-L496 HydrophobicContact CG2-CD1 3.49Å; I455-L496 VanDerWaalsContact CG2-CD1 3.49Å; I455-V499 HydrophobicContact CD1-CG1 3.97Å
456A89.3Confident83.4Confident0 Ų052.2 Ų52.20%029%0.294CS..Hα-helixtrans-61-38.2176.800000112.4T452 A453 M454 L460 L496 L550 L553T452-A456 WeakPolarHBondContact O-CB 3.41Å; T452-A456 PolarHBondContact O-N 2.84Å; A453-A456 PolarHBondContact O-N 3.48Å; M454-A456 VanDerWaalsContact C-N 3.33Å; M454-A456 PolarHBondContact O-N 3.03Å; A456-L460 WeakPolarHBondContact O-CB 3.4Å; A456-L460 VanDerWaalsContact O-CG 3.25Å; A456-L460 WeakPolarHBondContact O-CG 3.37Å; A456-L460 PolarHBondContact O-N 3.48Å; A456-L496 HydrophobicContact CB-CD2 3.98Å; A456-L550 HydrophobicContact CB-CD2 4.49Å; A456-L553 HydrophobicContact CB-CB 3.89Å
457R88.8Confident84Confident69 Ų6949.1 Ų49.126%0.2627%0.273SS..Hα-helixtrans-64.8-48.7172.6-70.2173.5-174.8163.34.5111.4A453 M454 I455 L459 L460 Y461 S554 D557A453-R457 WeakPolarHBondContact O-CG 3.23Å; A453-R457 PolarHBondContact O-N 3.22Å; M454-R457 WeakPolarHBondContact O-CB 3.19Å; M454-R457 PolarHBondContact O-N 2.98Å; I455-R457 VanDerWaalsContact C-N 3.31Å; I455-R457 PolarHBondContact O-N 2.76Å; R457-L459 VanDerWaalsContact C-N 3.35Å; R457-L459 PolarHBondContact O-N 3.42Å; R457-L460 PolarHBondContact O-N 3Å; R457-Y461 HydrophobicContact CB-CD2 4.48Å; R457-Y461 VanDerWaalsContact O-CD2 3.28Å; R457-Y461 WeakPolarHBondContact O-CD2 3.5Å; R457-Y461 PolarHBondContact O-N 3.26Å; R457-S554 VanDerWaalsContact CZ-O 3.27Å; R457-S554 PolarHBondContact NE-O 3.27Å; R457-S554 PolarHBondContact NH2-O 3.15Å; R457-D557 IonicContact CZ-OD2 3.64Å; R457-D557 VanDerWaalsContact CZ-OD2 3.24Å; R457-D557 IonicContact NH1-OD2 2.63Å; R457-D557 PolarHBondContact NH1-OD2 3.33Å; R457-D557 IonicContact NH2-OD2 2.86Å; R457-D557 PolarHBondContact NH2-OD2 2.96Å
458E89.3Confident84.5Confident48 Ų4846.1 Ų46.122%0.22425%0.249CC..Hα-helixtrans-57.4-46.2179-71.5173.3-165.600111.7M454 I455 G462 T464 S465 P466 T467M454-E458 WeakPolarHBondContact O-CG 3.37Å; M454-E458 PolarHBondContact O-N 3.27Å; I455-E458 PolarHBondContact O-N 3.13Å; E458-G462 WeakPolarHBondContact O-CA 3.26Å; E458-G462 PolarHBondContact O-N 2.91Å; E458-T464 CarbonylContact C-O 3.12Å; E458-S465 VanDerWaalsContact OE2-CA 3.26Å; E458-S465 WeakPolarHBondContact OE2-CA 3.48Å; E458-S465 VanDerWaalsContact OE2-CB 3.24Å; E458-S465 WeakPolarHBondContact OE2-CB 3.46Å; E458-S465 PolarHBondContact OE2-OG 3.4Å; E458-P466 VanDerWaalsContact OE2-CD 3.29Å; E458-P466 WeakPolarHBondContact OE2-CD 3.4Å; E458-T467 WeakPolarHBondContact OE1-CB 3.38Å; E458-T467 PolarHBondContact OE1-OG1 2.89Å; E458-T467 VanDerWaalsContact OE2-CB 3.31Å; E458-T467 WeakPolarHBondContact OE2-CB 3.16Å; E458-T467 PolarHBondContact OE2-N 3.1Å; E458-T467 PolarHBondContact OE2-OG1 2.6Å
459L88.1Confident84.7Confident0 Ų043.6 Ų43.60%024%0.238CC..Hα-helixtrans-64.3-42.4176.9-67.3171.6000112.8I455 R457 G463 L486 Q492 Y495 L496I455-L459 HydrophobicContact CG2-CD1 3.85Å; I455-L459 HydrophobicContact CG2-CG 4.24Å; I455-L459 WeakPolarHBondContact O-CG 3.43Å; I455-L459 PolarHBondContact O-N 3.21Å; R457-L459 VanDerWaalsContact C-N 3.35Å; R457-L459 PolarHBondContact O-N 3.42Å; L459-G463 WeakPolarHBondContact O-CA 3.47Å; L459-G463 PolarHBondContact O-N 3.28Å; L459-G463 VanDerWaalsContact O-N 3.09Å; L459-L486 HydrophobicContact CD2-CD1 3.94Å; L459-Q492 HydrophobicContact CB-CB 4.36Å; L459-Q492 HydrophobicContact CB-CG 4.36Å; L459-Q492 HydrophobicContact CD1-CB 4.5Å; L459-Q492 PolarHBondContact O-NE2 3.3Å; L459-Q492 VanDerWaalsContact O-NE2 3.15Å; L459-Y495 HydrophobicContact CD1-CD1 4.16Å; L459-Y495 HydrophobicContact CD2-CD1 4Å; L459-Y495 HydrophobicContact CD2-CE1 4.27Å; L459-L496 HydrophobicContact CD1-CB 4Å
460L86.8Confident84.7Confident49 Ų4945.9 Ų45.926%0.25725%0.25SC..Hα-helixtrans-66.7-35.8179.4-79173.3000113.8A456 R457 L550 K551A456-L460 WeakPolarHBondContact O-CB 3.4Å; A456-L460 VanDerWaalsContact O-CG 3.25Å; A456-L460 WeakPolarHBondContact O-CG 3.37Å; A456-L460 PolarHBondContact O-N 3.48Å; R457-L460 PolarHBondContact O-N 3Å; L460-L550 HydrophobicContact CD1-CB 4.14Å; L460-L550 HydrophobicContact CD2-CB 3.87Å; L460-L550 HydrophobicContact CD2-CD1 4.32Å; L460-L550 HydrophobicContact CG-CB 4.04Å; L460-K551 HydrophobicContact CD1-CG 4.19Å
461Y84.6Confident84.5Confident209 Ų20945.3 Ų45.382%0.8224%0.244SC*.Hα-helixtrans-99-32.3-175.1-72.4-70.6000114.2R457R457-Y461 HydrophobicContact CB-CD2 4.48Å; R457-Y461 VanDerWaalsContact O-CD2 3.28Å; R457-Y461 WeakPolarHBondContact O-CD2 3.5Å; R457-Y461 PolarHBondContact O-N 3.26Å
462G79.1Confident83.9Confident51 Ų5145.7 Ų45.753%0.52624%0.244SC..Hα-helixtrans-112.8-12.8-175.600000115.2E458 T464E458-G462 WeakPolarHBondContact O-CA 3.26Å; E458-G462 PolarHBondContact O-N 2.91Å; G462-T464 PolarHBondContact O-N 3.12Å
463G77.8Confident83.1Confident10 Ų1051.6 Ų51.610%0.10327%0.269CS..SBendtrans68.5-5.4-174.900000114.8L459 L486L459-G463 WeakPolarHBondContact O-CA 3.47Å; L459-G463 PolarHBondContact O-N 3.28Å; L459-G463 VanDerWaalsContact O-N 3.09Å; G463-L486 WeakPolarHBondContact O-CB 3.35Å; G463-L486 PolarHBondContact O-N 2.85Å
464T80.8Confident82Confident64 Ų6458 Ų5839%0.39330%0.303SS..  trans-135.2156.1173.759.60000108.9E458 G462 P485E458-T464 CarbonylContact C-O 3.12Å; G462-T464 PolarHBondContact O-N 3.12Å; T464-P485 HydrophobicContact CG2-CB 4.25Å
465S83.3Confident80.8Confident2 Ų259.2 Ų59.21%0.01431%0.312CS..  trans-132.7105.3176.5169.20000110.2I455 E458 T467 A468 E469I455-S465 WeakPolarHBondContact CG2-OG 3.45Å; E458-S465 VanDerWaalsContact OE2-CA 3.26Å; E458-S465 WeakPolarHBondContact OE2-CA 3.48Å; E458-S465 VanDerWaalsContact OE2-CB 3.24Å; E458-S465 WeakPolarHBondContact OE2-CB 3.46Å; E458-S465 PolarHBondContact OE2-OG 3.4Å; S465-T467 PolarHBondContact O-N 2.85Å; S465-A468 PolarHBondContact O-N 3.07Å; S465-A468 WeakPolarHBondContact OG-CB 3.37Å; S465-A468 PolarHBondContact OG-N 3.25Å; S465-E469 PolarHBondContact O-N 3.23Å; S465-E469 VanDerWaalsContact O-N 3.1Å
466P80.6Confident79.3Confident81 Ų8166.7 Ų66.753%0.52635%0.35SS..Hα-helixtrans-62-31.7172.625.7-34.7000111.5E458 E469 T470E458-P466 VanDerWaalsContact OE2-CD 3.29Å; E458-P466 WeakPolarHBondContact OE2-CD 3.4Å; P466-E469 PolarHBondContact O-N 2.98Å; P466-T470 PolarHBondContact O-N 2.87Å; P466-T470 VanDerWaalsContact O-N 3.14Å
467T83Confident77.2Confident34 Ų3471.6 Ų71.621%0.20938%0.384CS..Hα-helixtrans-61.9-46.7175.6-60.20000110.9I455 E458 S465 E469 T470 I471I455-T467 HydrophobicContact CD1-CG2 4.31Å; I455-T467 HydrophobicContact CG1-CG2 3.76Å; E458-T467 WeakPolarHBondContact OE1-CB 3.38Å; E458-T467 PolarHBondContact OE1-OG1 2.89Å; E458-T467 VanDerWaalsContact OE2-CB 3.31Å; E458-T467 WeakPolarHBondContact OE2-CB 3.16Å; E458-T467 PolarHBondContact OE2-N 3.1Å; E458-T467 PolarHBondContact OE2-OG1 2.6Å; S465-T467 PolarHBondContact O-N 2.85Å; T467-E469 PolarHBondContact O-N 3.23Å; T467-T470 PolarHBondContact O-N 2.99Å; T467-T470 PolarHBondContact O-OG1 3.04Å; T467-I471 HydrophobicContact CG2-CD1 4.25Å; T467-I471 WeakPolarHBondContact O-CG1 3.3Å; T467-I471 PolarHBondContact O-N 3.37Å
468A82.4Confident75.2Confident0 Ų074.3 Ų74.30%041%0.414CS..Hα-helixtrans-62.8-41.7175.100000113.4I455 S465 T470 I471 L472 Y495 V499I455-A468 HydrophobicContact CD1-CB 4.45Å; I455-A468 HydrophobicContact CG1-CB 4.37Å; I455-A468 HydrophobicContact CG2-CB 3.79Å; S465-A468 PolarHBondContact O-N 3.07Å; S465-A468 WeakPolarHBondContact OG-CB 3.37Å; S465-A468 PolarHBondContact OG-N 3.25Å; A468-T470 VanDerWaalsContact C-N 3.33Å; A468-T470 PolarHBondContact O-N 3.06Å; A468-I471 PolarHBondContact O-N 2.96Å; A468-L472 PolarHBondContact O-N 3.47Å; A468-Y495 HydrophobicContact CB-CE1 3.56Å; A468-V499 HydrophobicContact CB-CG1 4.02Å; A468-V499 HydrophobicContact CB-CG2 3.8Å
469E82Confident72.9Confident72 Ų7275 Ų7534%0.33643%0.434SS..Hα-helixtrans-59.1-42.3178.3-80.2-168.7-150.300112.5S465 P466 T467 I471 L472 K473S465-E469 PolarHBondContact O-N 3.23Å; S465-E469 VanDerWaalsContact O-N 3.1Å; P466-E469 PolarHBondContact O-N 2.98Å; T467-E469 PolarHBondContact O-N 3.23Å; E469-I471 VanDerWaalsContact C-N 3.33Å; E469-I471 PolarHBondContact O-N 3.11Å; E469-L472 PolarHBondContact O-N 2.84Å; E469-K473 WeakPolarHBondContact O-CB 3.35Å; E469-K473 WeakPolarHBondContact O-CD 3.28Å; E469-K473 WeakPolarHBondContact O-CG 3.3Å; E469-K473 PolarHBondContact O-N 3.22Å; E469-K473 IonicContact OE2-NZ 2.66Å; E469-K473 PolarHBondContact OE2-NZ 3.42Å
470T78.9Confident70.9Confident78 Ų7882.7 Ų82.748%0.47947%0.469SS..Hα-helixtrans-65.9-35.7178.159.90000112.7P466 T467 A468 N474P466-T470 PolarHBondContact O-N 2.87Å; P466-T470 VanDerWaalsContact O-N 3.14Å; T467-T470 PolarHBondContact O-N 2.99Å; T467-T470 PolarHBondContact O-OG1 3.04Å; A468-T470 VanDerWaalsContact C-N 3.33Å; A468-T470 PolarHBondContact O-N 3.06Å; T470-N474 PolarHBondContact O-N 3.29Å; T470-N474 PolarHBondContact O-ND2 2.96Å
471I81.4Confident69.2Low41 Ų4184.3 Ų84.321%0.2148%0.482CS..Hα-helixtrans-68.7-39.8177.7-65.6164.7000111.2V451 I455 T467 A468 E469 N474 N475 V499V451-I471 HydrophobicContact CG1-CD1 3.62Å; I455-I471 HydrophobicContact CD1-CD1 3.8Å; T467-I471 HydrophobicContact CG2-CD1 4.25Å; T467-I471 WeakPolarHBondContact O-CG1 3.3Å; T467-I471 PolarHBondContact O-N 3.37Å; A468-I471 PolarHBondContact O-N 2.96Å; E469-I471 VanDerWaalsContact C-N 3.33Å; E469-I471 PolarHBondContact O-N 3.11Å; I471-N474 PolarHBondContact O-N 3.5Å; I471-N475 PolarHBondContact O-N 3.22Å; I471-N475 PolarHBondContact O-ND2 3Å; I471-V499 HydrophobicContact CB-CG1 4.07Å; I471-V499 HydrophobicContact CD1-CG1 4.29Å; I471-V499 HydrophobicContact CG2-CG1 3.87Å
472L74.4Confident67.7Low55 Ų5576.6 Ų76.629%0.28846%0.457SS..Hα-helixtrans-70.1-40.7175.3-71.4175.7000112.4A468 E469 N474 N475 Y495 V499A468-L472 PolarHBondContact O-N 3.47Å; E469-L472 PolarHBondContact O-N 2.84Å; L472-N474 PolarHBondContact O-N 3.5Å; L472-N475 CarbonylContact O-C 3.51Å; L472-N475 PolarHBondContact O-N 2.89Å; L472-Y495 HydrophobicContact CD1-CD2 4.45Å; L472-Y495 HydrophobicContact CD1-CE2 3.47Å; L472-Y495 VanDerWaalsContact CD1-CE2 3.47Å; L472-V499 HydrophobicContact CD1-CG2 3.75Å; L472-V499 HydrophobicContact CD2-CG2 4.1Å; L472-V499 HydrophobicContact CG-CG2 3.84Å
473K69.2Low66.1Low134 Ų13483.6 Ų83.658%0.58348%0.476SS*.Hα-helixtrans-59.8-28.8176.3-73162.8-167.1170.50112.5E469E469-K473 WeakPolarHBondContact O-CB 3.35Å; E469-K473 WeakPolarHBondContact O-CD 3.28Å; E469-K473 WeakPolarHBondContact O-CG 3.3Å; E469-K473 PolarHBondContact O-N 3.22Å; E469-K473 IonicContact OE2-NZ 2.66Å; E469-K473 PolarHBondContact OE2-NZ 3.42Å
474N65.8Low65.2Low134 Ų13485 Ų8572%0.71749%0.489SS*.Hα-helixtrans-83.1-18.3175.3-69.7-17.9000114.3T470 I471 L472T470-N474 PolarHBondContact O-N 3.29Å; T470-N474 PolarHBondContact O-ND2 2.96Å; I471-N474 PolarHBondContact O-N 3.5Å; L472-N474 PolarHBondContact O-N 3.5Å
475N62.4Low64.3Low112 Ų11286 Ų8660%0.59950%0.498SS*.SBendtrans-105.581.4178.3-76.1-82.3000110.4I471 L472 S477I471-N475 PolarHBondContact O-N 3.22Å; I471-N475 PolarHBondContact O-ND2 3Å; L472-N475 CarbonylContact O-C 3.51Å; L472-N475 PolarHBondContact O-N 2.89Å; N475-S477 PolarHBondContact O-N 2.99Å
476I57.4Low63.8Low158 Ų15886.8 Ų86.881%0.8150%0.501SS*.  trans-71.388.8-175.8-53.8173.7000110.9
477S45Very low63.4Low103 Ų10388.4 Ų88.472%0.7251%0.51SS*.SBendtrans-165.6112.2154.1-82.40000112.7N475N475-S477 PolarHBondContact O-N 2.99Å
478S47.1Very low63.6Low126 Ų12690.4 Ų90.488%0.88151%0.514SS*.  trans45.399152.558.10000119.2
479G40.5Very low64Low63 Ų6391.5 Ų91.565%0.64952%0.521SS*.  trans-178.7125.1161.700000112.3V481G479-V481 PolarHBondContact O-N 2.9Å
480H46.1Very low64.4Low160 Ų16089.1 Ų89.174%0.74151%0.512SS*.  trans-50.2110.2177.8175.5-68.2000111.8P482H480-P482 WeakPolarHBondContact O-CD 3.28Å
481V52.5Low64.9Low84 Ų8489.3 Ų89.351%0.50951%0.508SS..  trans-70.4119.6169.8-178.50000107.5G479 H483G479-V481 PolarHBondContact O-N 2.9Å; V481-H483 PolarHBondContact O-N 3.27Å; V481-H483 VanDerWaalsContact O-N 3.1Å
482P52.2Low65.3Low47 Ų4788.1 Ų88.131%0.30550%0.501SS..  trans-66.9111.8175.126.9-31.2000109.2H480 G484 L486H480-P482 WeakPolarHBondContact O-CD 3.28Å; P482-G484 VanDerWaalsContact C-N 3.29Å; P482-G484 PolarHBondContact O-N 3.1Å; P482-L486 HydrophobicContact CB-CD2 4.41Å; P482-L486 HydrophobicContact CG-CD2 4.03Å; P482-L486 HydrophobicContact CG-CG 4.37Å
483H45.8Very low66.1Low198 Ų19885.5 Ų85.592%0.91749%0.487SS*.SBendtrans-75.883.5170.3-95.1-26.2000110V481V481-H483 PolarHBondContact O-N 3.27Å; V481-H483 VanDerWaalsContact O-N 3.1Å
484G58.4Low67.1Low38 Ų3882.1 Ų82.139%0.39248%0.476SS..SBendtrans163.4163.7173.700000112P482 L486P482-G484 VanDerWaalsContact C-N 3.29Å; P482-G484 PolarHBondContact O-N 3.1Å; G484-L486 PolarHBondContact O-N 3.4Å
485P61.5Low68.2Low87 Ų8776.7 Ų76.757%0.56545%0.445SS*.  trans-62.2128.416827.8-33.1000109.7T464 T487T464-P485 HydrophobicContact CG2-CB 4.25Å; P485-T487 PolarHBondContact O-N 3.21Å; P485-T487 VanDerWaalsContact O-N 3.1Å
486L73Confident69.4Low17 Ų1771.3 Ų71.39%0.08942%0.417CS..  trans-68.8104.9173.6-71.8155.3000108L459 G463 P482 G484 E491 Q492 Y495L459-L486 HydrophobicContact CD2-CD1 3.94Å; G463-L486 WeakPolarHBondContact O-CB 3.35Å; G463-L486 PolarHBondContact O-N 2.85Å; P482-L486 HydrophobicContact CB-CD2 4.41Å; P482-L486 HydrophobicContact CG-CD2 4.03Å; P482-L486 HydrophobicContact CG-CG 4.37Å; G484-L486 PolarHBondContact O-N 3.4Å; L486-E491 HydrophobicContact CD2-CB 3.86Å; L486-Q492 HydrophobicContact CB-CG 3.62Å; L486-Q492 PolarHBondContact O-NE2 3.3Å; L486-Y495 HydrophobicContact CD1-CD1 3.73Å; L486-Y495 HydrophobicContact CD1-CE1 4.38Å; L486-Y495 HydrophobicContact CD1-CG 3.81Å
487T73.3Confident70.9Confident116 Ų11664.2 Ų64.271%0.71238%0.381SS*.  trans-85.4-19.5-174.456.10000113.3P485P485-T487 PolarHBondContact O-N 3.21Å; P485-T487 VanDerWaalsContact O-N 3.1Å
488R87Confident73Confident75 Ų7566.5 Ų66.528%0.28337%0.374SS..SBendtrans-103.2131.9-178.3-58.2-167.272.8165.58.4112.5S490 E491 Q492 E539 D543R488-S490 VanDerWaalsContact C-N 3.28Å; R488-S490 PolarHBondContact O-N 2.91Å; R488-E491 HydrophobicContact CB-CB 4.24Å; R488-E491 HydrophobicContact CB-CG 3.91Å; R488-E491 WeakPolarHBondContact CD-OE1 3.27Å; R488-E491 PolarHBondContact O-N 2.99Å; R488-Q492 WeakPolarHBondContact O-CG 3.48Å; R488-Q492 PolarHBondContact O-N 3.46Å; R488-E539 IonicContact CZ-OE2 2.66Å; R488-E539 IonicContact NH1-OE2 2.74Å; R488-E539 PolarHBondContact NH1-OE2 3.31Å; R488-E539 IonicContact NH2-OE2 2.66Å; R488-D543 IonicContact CZ-OD2 2.8Å; R488-D543 IonicContact NE-OD1 3.45Å; R488-D543 IonicContact NE-OD2 3.97Å; R488-D543 PolarHBondContact NE-OD2 2.92Å; R488-D543 IonicContact NH2-OD2 3.6Å; R488-D543 PolarHBondContact NH2-OD2 3.29Å
489P90.4Very high74.8Confident24 Ų2461.1 Ų61.116%0.15634%0.336CS..Hα-helixtrans-61.8-30.4177.5-24.533.9000114.6L493 D543 A546 L547 L550P489-L493 WeakPolarHBondContact O-CB 3.45Å; P489-L493 PolarHBondContact O-N 2.87Å; P489-D543 WeakPolarHBondContact CB-O 3.4Å; P489-D543 HydrophobicContact CG-CB 4.47Å; P489-A546 HydrophobicContact CB-CB 4.4Å; P489-A546 WeakPolarHBondContact O-CB 3.45Å; P489-L547 HydrophobicContact CB-CB 3.74Å; P489-L547 HydrophobicContact CB-CD1 4.4Å; P489-L547 HydrophobicContact CG-CB 4.06Å; P489-L547 HydrophobicContact CG-CD1 3.86Å; P489-L550 HydrophobicContact CB-CD1 4.32Å; P489-L550 WeakPolarHBondContact O-CD1 3.34Å
490S90Very high76.9Confident21 Ų2159.9 Ų59.915%0.14731%0.313CS..Hα-helixtrans-63.4-46.4174.152.10000112.2R488 L493 D494 D543R488-S490 VanDerWaalsContact C-N 3.28Å; R488-S490 PolarHBondContact O-N 2.91Å; S490-L493 PolarHBondContact O-N 3.11Å; S490-D494 PolarHBondContact O-N 3.06Å; S490-D543 VanDerWaalsContact CB-OD1 3.22Å; S490-D543 WeakPolarHBondContact CB-OD1 3.24Å; S490-D543 PolarHBondContact N-OD1 2.78Å; S490-D543 VanDerWaalsContact N-OD1 3.12Å; S490-D543 PolarHBondContact OG-OD1 3.03Å
491E90.2Very high78.6Confident83 Ų8355.7 Ų55.739%0.38831%0.313SS..Hα-helixtrans-65.4-40.4176.1-62.4171.6-177.700112.1L486 R488 L493 D494 Y495L486-E491 HydrophobicContact CD2-CB 3.86Å; R488-E491 HydrophobicContact CB-CB 4.24Å; R488-E491 HydrophobicContact CB-CG 3.91Å; R488-E491 WeakPolarHBondContact CD-OE1 3.27Å; R488-E491 PolarHBondContact O-N 2.99Å; E491-L493 VanDerWaalsContact C-N 3.34Å; E491-L493 PolarHBondContact O-N 3.4Å; E491-D494 PolarHBondContact O-N 3.45Å; E491-Y495 WeakPolarHBondContact O-CB 3.34Å; E491-Y495 PolarHBondContact O-N 3.07Å
492Q89.9Confident80.3Confident15 Ų1552.4 Ų52.47%0.0729%0.292CS..Hα-helixtrans-59.1-43.8174.1-71.5176.1-2.100111.9L459 L486 R488 L496 L550L459-Q492 HydrophobicContact CB-CB 4.36Å; L459-Q492 HydrophobicContact CB-CG 4.36Å; L459-Q492 HydrophobicContact CD1-CB 4.5Å; L459-Q492 PolarHBondContact O-NE2 3.3Å; L459-Q492 VanDerWaalsContact O-NE2 3.15Å; L486-Q492 HydrophobicContact CB-CG 3.62Å; L486-Q492 PolarHBondContact O-NE2 3.3Å; R488-Q492 WeakPolarHBondContact O-CG 3.48Å; R488-Q492 PolarHBondContact O-N 3.46Å; Q492-L496 WeakPolarHBondContact O-CB 3.22Å; Q492-L496 PolarHBondContact O-N 3.01Å; Q492-L550 HydrophobicContact CB-CD1 3.75Å
493L90.7Very high81.9Confident0 Ų055.7 Ų55.70%030%0.303CS..Hα-helixtrans-70.4-39.7178.6-178.359.6000112.3P489 S490 E491 L496 S497 F502 V504 I521 A546 I549 L550 L553P489-L493 WeakPolarHBondContact O-CB 3.45Å; P489-L493 PolarHBondContact O-N 2.87Å; S490-L493 PolarHBondContact O-N 3.11Å; E491-L493 VanDerWaalsContact C-N 3.34Å; E491-L493 PolarHBondContact O-N 3.4Å; L493-L496 PolarHBondContact O-N 3.27Å; L493-S497 WeakPolarHBondContact O-CB 3.31Å; L493-S497 PolarHBondContact O-N 3.44Å; L493-F502 HydrophobicContact CD1-CE2 4.15Å; L493-F502 HydrophobicContact CD1-CZ 4.19Å; L493-V504 HydrophobicContact CD2-CG1 4.18Å; L493-V504 HydrophobicContact CG-CG2 4.23Å; L493-I521 HydrophobicContact CD2-CD1 3.43Å; L493-I521 VanDerWaalsContact CD2-CD1 3.43Å; L493-A546 HydrophobicContact CB-CB 4.05Å; L493-A546 HydrophobicContact CD2-CB 3.76Å; L493-I549 HydrophobicContact CD1-CB 4.46Å; L493-I549 HydrophobicContact CD1-CG2 3.68Å; L493-I549 HydrophobicContact CD2-CB 3.85Å; L493-I549 HydrophobicContact CD2-CG1 4.39Å; L493-I549 HydrophobicContact CD2-CG2 3.82Å; L493-I549 HydrophobicContact CG-CG2 4.44Å; L493-L550 HydrophobicContact CB-CD1 4.21Å; L493-L550 HydrophobicContact CB-CD2 4.23Å; L493-L550 HydrophobicContact CB-CG 4.08Å; L493-L550 HydrophobicContact CD1-CD2 4.05Å; L493-L550 HydrophobicContact CD1-CG 4.25Å; L493-L553 HydrophobicContact CD1-CD1 3.92Å
494D89.9Confident84.1Confident63 Ų6347.8 Ų47.834%0.33727%0.269SS..Hα-helixtrans-63.7-43.7174.6-179.547.3000111.4S490 E491 L496 S497 R498S490-D494 PolarHBondContact O-N 3.06Å; E491-D494 PolarHBondContact O-N 3.45Å; D494-L496 PolarHBondContact O-N 3.1Å; D494-S497 WeakPolarHBondContact O-CB 3.42Å; D494-S497 PolarHBondContact O-N 3.01Å; D494-S497 VanDerWaalsContact O-N 3.14Å; D494-S497 PolarHBondContact O-OG 3Å; D494-R498 WeakPolarHBondContact O-CG 3.46Å; D494-R498 PolarHBondContact O-N 3.36Å; D494-R498 VanDerWaalsContact O-N 3.08Å; D494-R498 IonicContact OD1-NE 3.67Å; D494-R498 IonicContact OD2-CZ 3.17Å; D494-R498 IonicContact OD2-NE 3.11Å; D494-R498 PolarHBondContact OD2-NE 3.01Å; D494-R498 VanDerWaalsContact OD2-NE 3.11Å; D494-R498 IonicContact OD2-NH2 2.63Å; D494-R498 PolarHBondContact OD2-NH2 2.95Å
495Y88.8Confident85.7Confident20 Ų2051.5 Ų51.58%0.07828%0.276CS..Hα-helixtrans-58-48.6173.2178.5-109.7000112L459 A468 L472 L486 E491 S497 R498 V499L459-Y495 HydrophobicContact CD1-CD1 4.16Å; L459-Y495 HydrophobicContact CD2-CD1 4Å; L459-Y495 HydrophobicContact CD2-CE1 4.27Å; A468-Y495 HydrophobicContact CB-CE1 3.56Å; L472-Y495 HydrophobicContact CD1-CD2 4.45Å; L472-Y495 HydrophobicContact CD1-CE2 3.47Å; L472-Y495 VanDerWaalsContact CD1-CE2 3.47Å; L486-Y495 HydrophobicContact CD1-CD1 3.73Å; L486-Y495 HydrophobicContact CD1-CE1 4.38Å; L486-Y495 HydrophobicContact CD1-CG 3.81Å; E491-Y495 WeakPolarHBondContact O-CB 3.34Å; E491-Y495 PolarHBondContact O-N 3.07Å; Y495-S497 VanDerWaalsContact C-N 3.27Å; Y495-S497 PolarHBondContact O-N 3.06Å; Y495-R498 PolarHBondContact O-N 2.83Å; Y495-V499 HydrophobicContact CD1-CG2 4.35Å; Y495-V499 HydrophobicContact CE1-CG2 4.11Å; Y495-V499 HydrophobicContact CE2-CG2 4.29Å; Y495-V499 WeakPolarHBondContact O-CG2 3.37Å; Y495-V499 PolarHBondContact O-N 2.94Å
496L88.5Confident87.1Confident0 Ų050.4 Ų50.40%026%0.261CS..Hα-helixtrans-59.7-37.2175177.860000112.4T452 I455 A456 L459 Q492 L493 D494 R498 V499 Q500 F502 L550 L553T452-L496 HydrophobicContact CG2-CD1 4.15Å; T452-L496 HydrophobicContact CG2-CD2 4.3Å; T452-L496 HydrophobicContact CG2-CG 4.48Å; I455-L496 HydrophobicContact CB-CD1 3.81Å; I455-L496 HydrophobicContact CD1-CD1 4.34Å; I455-L496 HydrophobicContact CG2-CD1 3.49Å; I455-L496 VanDerWaalsContact CG2-CD1 3.49Å; A456-L496 HydrophobicContact CB-CD2 3.98Å; L459-L496 HydrophobicContact CD1-CB 4Å; Q492-L496 WeakPolarHBondContact O-CB 3.22Å; Q492-L496 PolarHBondContact O-N 3.01Å; L493-L496 PolarHBondContact O-N 3.27Å; D494-L496 PolarHBondContact O-N 3.1Å; L496-R498 VanDerWaalsContact C-N 3.34Å; L496-R498 PolarHBondContact O-N 3.25Å; L496-V499 PolarHBondContact O-N 3.37Å; L496-Q500 WeakPolarHBondContact O-CB 3.39Å; L496-Q500 PolarHBondContact O-N 3.1Å; L496-F502 HydrophobicContact CB-CZ 4.36Å; L496-F502 HydrophobicContact CD2-CZ 4.18Å; L496-F502 HydrophobicContact CG-CE1 3.93Å; L496-F502 HydrophobicContact CG-CZ 3.77Å; L496-L550 HydrophobicContact CD2-CD2 3.83Å; L496-L553 HydrophobicContact CD2-CD1 3.64Å
497S89Confident88Confident9 Ų955.3 Ų55.36%0.06328%0.281CS..Hα-helixtrans-62-41.2177.689.50000112.1L493 D494 Y495 G501 F502L493-S497 WeakPolarHBondContact O-CB 3.31Å; L493-S497 PolarHBondContact O-N 3.44Å; D494-S497 WeakPolarHBondContact O-CB 3.42Å; D494-S497 PolarHBondContact O-N 3.01Å; D494-S497 VanDerWaalsContact O-N 3.14Å; D494-S497 PolarHBondContact O-OG 3Å; Y495-S497 VanDerWaalsContact C-N 3.27Å; Y495-S497 PolarHBondContact O-N 3.06Å; S497-G501 WeakPolarHBondContact O-CA 3.48Å; S497-G501 PolarHBondContact O-N 3.15Å; S497-F502 VanDerWaalsContact CB-CE2 3.45Å; S497-F502 VanDerWaalsContact CB-O 3.32Å; S497-F502 WeakPolarHBondContact CB-O 3.32Å; S497-F502 PolarHBondContact O-N 3.03Å; S497-F502 VanDerWaalsContact O-N 3.15Å
498R87.9Confident88.9Confident151 Ų15153 Ų5357%0.5726%0.264SS*.Hα-helixtrans-68.1-42176.1-62.1169.7-167.7-165.52.9112.3D494 Y495 L496D494-R498 WeakPolarHBondContact O-CG 3.46Å; D494-R498 PolarHBondContact O-N 3.36Å; D494-R498 VanDerWaalsContact O-N 3.08Å; D494-R498 IonicContact OD1-NE 3.67Å; D494-R498 IonicContact OD2-CZ 3.17Å; D494-R498 IonicContact OD2-NE 3.11Å; D494-R498 PolarHBondContact OD2-NE 3.01Å; D494-R498 VanDerWaalsContact OD2-NE 3.11Å; D494-R498 IonicContact OD2-NH2 2.63Å; D494-R498 PolarHBondContact OD2-NH2 2.95Å; Y495-R498 PolarHBondContact O-N 2.83Å; L496-R498 VanDerWaalsContact C-N 3.34Å; L496-R498 PolarHBondContact O-N 3.25Å
499V85.9Confident88.9Confident13 Ų1354.1 Ų54.18%0.07927%0.272CS..Hα-helixtrans-63.3-42179.5176.50000111.3I455 A468 I471 L472 Y495 L496I455-V499 HydrophobicContact CD1-CG1 3.97Å; A468-V499 HydrophobicContact CB-CG1 4.02Å; A468-V499 HydrophobicContact CB-CG2 3.8Å; I471-V499 HydrophobicContact CB-CG1 4.07Å; I471-V499 HydrophobicContact CD1-CG1 4.29Å; I471-V499 HydrophobicContact CG2-CG1 3.87Å; L472-V499 HydrophobicContact CD1-CG2 3.75Å; L472-V499 HydrophobicContact CD2-CG2 4.1Å; L472-V499 HydrophobicContact CG-CG2 3.84Å; Y495-V499 HydrophobicContact CD1-CG2 4.35Å; Y495-V499 HydrophobicContact CE1-CG2 4.11Å; Y495-V499 HydrophobicContact CE2-CG2 4.29Å; Y495-V499 WeakPolarHBondContact O-CG2 3.37Å; Y495-V499 PolarHBondContact O-N 2.94Å; L496-V499 PolarHBondContact O-N 3.37Å
500Q84.1Confident88.5Confident37 Ų3758.1 Ų58.117%0.17330%0.298CS..Hα-helixtrans-99.2-14.5-171.5-169.163.82.500113.9K448 T452 L496 F502K448-Q500 PolarHBondContact O-NE2 3.07Å; T452-Q500 HydrophobicContact CG2-CG 4.27Å; T452-Q500 WeakPolarHBondContact OG1-CG 3.35Å; T452-Q500 PolarHBondContact OG1-NE2 3.33Å; L496-Q500 WeakPolarHBondContact O-CB 3.39Å; L496-Q500 PolarHBondContact O-N 3.1Å; Q500-F502 HydrophobicContact CB-CD1 3.73Å; Q500-F502 HydrophobicContact CB-CE1 3.78Å; Q500-F502 HydrophobicContact CG-CD1 3.88Å; Q500-F502 HydrophobicContact CG-CE1 4.12Å
501G82.8Confident87.8Confident71 Ų7161.5 Ų61.573%0.73231%0.31SS*.THydrogen-bonded Turntrans7932.4177.200000114.7S497S497-G501 WeakPolarHBondContact O-CA 3.48Å; S497-G501 PolarHBondContact O-N 3.15Å
502F86.5Confident86.5Confident16 Ų1665.5 Ų65.57%0.0733%0.334CS..  trans-105.3157.1171.162.8-103.1000111.2T452 L493 L496 S497 Q500 V504 C523 L553T452-F502 HydrophobicContact CG2-CE1 4.19Å; L493-F502 HydrophobicContact CD1-CE2 4.15Å; L493-F502 HydrophobicContact CD1-CZ 4.19Å; L496-F502 HydrophobicContact CB-CZ 4.36Å; L496-F502 HydrophobicContact CD2-CZ 4.18Å; L496-F502 HydrophobicContact CG-CE1 3.93Å; L496-F502 HydrophobicContact CG-CZ 3.77Å; S497-F502 VanDerWaalsContact CB-CE2 3.45Å; S497-F502 VanDerWaalsContact CB-O 3.32Å; S497-F502 WeakPolarHBondContact CB-O 3.32Å; S497-F502 PolarHBondContact O-N 3.03Å; S497-F502 VanDerWaalsContact O-N 3.15Å; Q500-F502 HydrophobicContact CB-CD1 3.73Å; Q500-F502 HydrophobicContact CB-CE1 3.78Å; Q500-F502 HydrophobicContact CG-CD1 3.88Å; Q500-F502 HydrophobicContact CG-CE1 4.12Å; F502-V504 HydrophobicContact CD2-CG2 3.91Å; F502-V504 HydrophobicContact CE2-CG2 3.69Å; F502-C523 WeakPolarHBondContact CD2-SG 3.35Å; F502-C523 WeakPolarHBondContact CE2-SG 3.5Å; F502-L553 HydrophobicContact CZ-CD1 4.09Å
503Q86.7Confident85.2Confident115 Ų11570.2 Ų70.254%0.53736%0.36SS..  trans-98.5147.1178.7-70.9178.876.900111.2S524Q503-S524 PolarHBondContact N-OG 3.31Å; Q503-S524 PolarHBondContact O-N 3.21Å
504V90.9Very high84.1Confident33 Ų3379.9 Ų79.920%0.240%0.402CS..EExtended strand (participates in β ladder)trans-126.1122177.8-177.80000108.5L493 F502 Y506 I521L493-V504 HydrophobicContact CD2-CG1 4.18Å; L493-V504 HydrophobicContact CG-CG2 4.23Å; F502-V504 HydrophobicContact CD2-CG2 3.91Å; F502-V504 HydrophobicContact CE2-CG2 3.69Å; V504-Y506 HydrophobicContact CG1-CD2 4.24Å; V504-Y506 HydrophobicContact CG1-CE2 3.62Å; V504-I521 HydrophobicContact CG1-CD1 3.57Å; V504-I521 HydrophobicContact CG1-CG1 3.71Å
505E92.6Very high83.1Confident115 Ų11583.1 Ų83.154%0.53742%0.419SS..EExtended strand (participates in β ladder)trans-117.8128.2179.7-178.1-169.6-170.300109.6I521 N522E505-I521 CarbonylContact O-C 3.01Å; E505-I521 WeakPolarHBondContact O-CA 3.47Å; E505-N522 HydrophobicContact CB-CB 4.35Å; E505-N522 PolarHBondContact N-O 3.01Å; E505-N522 PolarHBondContact O-N 3.42Å; E505-N522 PolarHBondContact OE2-ND2 3.15Å
506Y91.7Very high82.8Confident65 Ų6586 Ų8626%0.25543%0.433SS..EExtended strand (participates in β ladder)trans-105136.8174.9-65.1-94.3000110.3V504 I521 H542V504-Y506 HydrophobicContact CG1-CD2 4.24Å; V504-Y506 HydrophobicContact CG1-CE2 3.62Å; Y506-I521 HydrophobicContact CD1-CB 4.22Å; Y506-I521 HydrophobicContact CD1-CD1 4.01Å; Y506-I521 HydrophobicContact CD1-CG1 3.91Å; Y506-I521 HydrophobicContact CE1-CB 4.31Å; Y506-I521 HydrophobicContact CE1-CD1 3.32Å; Y506-I521 HydrophobicContact CE1-CG1 3.77Å; Y506-I521 HydrophobicContact CE2-CD1 4.26Å; Y506-I521 HydrophobicContact CG-CG1 4.38Å; Y506-I521 VanDerWaalsContact CZ-CD1 3.48Å; Y506-H542 HydrophobicContact CD1-CB 4.07Å; Y506-H542 AromaticContact CD1-CD2 3.56Å; Y506-H542 AromaticContact CD1-CG 3.71Å; Y506-H542 HydrophobicContact CE1-CB 3.84Å; Y506-H542 AromaticContact CE1-CG 3.99Å
507K92.4Very high82.7Confident119 Ų11989 Ų8952%0.51745%0.446SS..EExtended strand (participates in β ladder)trans-132.7114178-171.6170.8-172.4160.20111.3F509 S519 L520K507-F509 HydrophobicContact CB-CE2 4.32Å; K507-F509 HydrophobicContact CD-CE2 4.25Å; K507-F509 HydrophobicContact CD-CZ 3.81Å; K507-F509 HydrophobicContact CG-CE2 3.84Å; K507-F509 HydrophobicContact CG-CZ 3.78Å; K507-F509 WeakPolarHBondContact O-CD2 3.43Å; K507-F509 WeakPolarHBondContact O-CE2 3.43Å; K507-S519 WeakPolarHBondContact O-CA 3.5Å; K507-L520 PolarHBondContact N-O 3.29Å; K507-L520 PolarHBondContact O-N 3.42Å
508D90.7Very high82.8Confident67 Ų6790.4 Ų90.436%0.35845%0.454SS..EExtended strand (participates in β ladder)trans-99.4139.8-168.3-56.9-31.7000112.7S519 V538 H542D508-S519 VanDerWaalsContact OD1-CB 3.22Å; D508-S519 WeakPolarHBondContact OD1-CB 3.39Å; D508-S519 PolarHBondContact OD1-OG 3.3Å; D508-V538 WeakPolarHBondContact OD2-CG1 3.39Å; D508-H542 VanDerWaalsContact CG-NE2 3.29Å; D508-H542 IonicContact OD1-CD2 3.07Å; D508-H542 PolarHBondContact OD1-CD2 3.5Å; D508-H542 IonicContact OD1-CE1 2.77Å; D508-H542 IonicContact OD1-NE2 3.24Å; D508-H542 PolarHBondContact OD1-NE2 3.19Å; D508-H542 IonicContact OD2-CE1 2.7Å; D508-H542 IonicContact OD2-NE2 3.81Å; D508-H542 PolarHBondContact OD2-NE2 2.9Å; D508-H542 VanDerWaalsContact OD2-NE2 3.07Å
509F88.1Confident83Confident100 Ų10083.2 Ų83.244%0.43943%0.427SS..EExtended strand (participates in β ladder)trans-131.1113.1-179.5-58.9-85.6000109.6K507 K511 V518 L520K507-F509 HydrophobicContact CB-CE2 4.32Å; K507-F509 HydrophobicContact CD-CE2 4.25Å; K507-F509 HydrophobicContact CD-CZ 3.81Å; K507-F509 HydrophobicContact CG-CE2 3.84Å; K507-F509 HydrophobicContact CG-CZ 3.78Å; K507-F509 WeakPolarHBondContact O-CD2 3.43Å; K507-F509 WeakPolarHBondContact O-CE2 3.43Å; F509-K511 PolarHBondContact O-N 3.5Å; F509-V518 WeakPolarHBondContact CB-O 3.36Å; F509-V518 PolarHBondContact N-O 2.99Å; F509-V518 PolarHBondContact O-N 3.44Å; F509-L520 HydrophobicContact CE2-CB 4.14Å
510P81.9Confident83.3Confident108 Ų10886 Ų8670%0.70144%0.441SS*.EExtended strand (participates in β ladder)trans-69.4131.9175.628.1-33.4000110.3F517P510-F517 HydrophobicContact CB-CD1 4.44Å; P510-F517 HydrophobicContact CB-CE1 4.41Å
511K75.8Confident83.8Confident91 Ų9184.2 Ų84.240%0.39643%0.433SS..  trans-89.4136.3178.4-154.2174.9175.7-173.10109.2F509 N513 E516 V518F509-K511 PolarHBondContact O-N 3.5Å; K511-N513 PolarHBondContact O-N 3.44Å; K511-E516 HydrophobicContact CB-CB 4.17Å; K511-E516 WeakPolarHBondContact CB-O 3.39Å; K511-E516 HydrophobicContact CD-CB 3.89Å; K511-E516 VanDerWaalsContact CD-OE2 3.27Å; K511-E516 WeakPolarHBondContact CD-OE2 3.43Å; K511-E516 VanDerWaalsContact CE-OE2 3.31Å; K511-E516 WeakPolarHBondContact CE-OE2 3.37Å; K511-E516 PolarHBondContact N-O 3.3Å; K511-E516 VanDerWaalsContact N-O 3.15Å; K511-E516 IonicContact NZ-OE2 2.71Å; K511-E516 PolarHBondContact NZ-OE2 2.85Å; K511-V518 HydrophobicContact CD-CG2 4.2Å
512N60.9Low84.2Confident167 Ų16783.8 Ų83.889%0.89341%0.414SS*.SBendtrans-72.511.8-173-152.5106.2000114.5
513N63.6Low84.4Confident115 Ų11583 Ų8362%0.61541%0.41SS*.SBendtrans-112132.1170.4-77.2-29.6000107.6K511 N515K511-N513 PolarHBondContact O-N 3.44Å; N513-N515 PolarHBondContact O-N 3.06Å
514K68.4Low84.4Confident203 Ų20379.4 Ų79.488%0.88340%0.398SS*.THydrogen-bonded Turntrans-53.4121.9-169.1-56.4174.6-175.7179.60110.9
515N68.2Low84Confident131 Ų13178.2 Ų78.270%0.70139%0.391SS*.THydrogen-bonded Turntrans77.538.3172-45.510.5000116.3N513N513-N515 PolarHBondContact O-N 3.06Å
516E82.6Confident83.2Confident80 Ų8077.1 Ų77.137%0.37439%0.386SS..  trans-133.4134.6164.7-70-177.1170.900111.7K511 G535K511-E516 HydrophobicContact CB-CB 4.17Å; K511-E516 WeakPolarHBondContact CB-O 3.39Å; K511-E516 HydrophobicContact CD-CB 3.89Å; K511-E516 VanDerWaalsContact CD-OE2 3.27Å; K511-E516 WeakPolarHBondContact CD-OE2 3.43Å; K511-E516 VanDerWaalsContact CE-OE2 3.31Å; K511-E516 WeakPolarHBondContact CE-OE2 3.37Å; K511-E516 PolarHBondContact N-O 3.3Å; K511-E516 VanDerWaalsContact N-O 3.15Å; K511-E516 IonicContact NZ-OE2 2.71Å; K511-E516 PolarHBondContact NZ-OE2 2.85Å; E516-G535 WeakPolarHBondContact CA-O 3.46Å
517F85.9Confident82.7Confident64 Ų6476.8 Ų76.828%0.28139%0.392SS..EExtended strand (participates in β ladder)trans-117.2150.3173.5-64.1-91.1000110.4P510 I534 G535 K536 V538 C541P510-F517 HydrophobicContact CB-CD1 4.44Å; P510-F517 HydrophobicContact CB-CE1 4.41Å; F517-I534 WeakPolarHBondContact O-CA 3.42Å; F517-G535 PolarHBondContact N-O 3.4Å; F517-G535 PolarHBondContact O-N 3.05Å; F517-G535 VanDerWaalsContact O-N 3.08Å; F517-K536 VanDerWaalsContact CD2-O 3.26Å; F517-K536 WeakPolarHBondContact CD2-O 3.28Å; F517-K536 WeakPolarHBondContact CE2-O 3.47Å; F517-V538 HydrophobicContact CD1-CG2 3.73Å; F517-V538 HydrophobicContact CD2-CG2 4.42Å; F517-V538 HydrophobicContact CE1-CG2 3.9Å; F517-V538 HydrophobicContact CG-CG2 4.01Å; F517-V538 HydrophobicContact CZ-CG2 4.32Å; F517-C541 WeakPolarHBondContact CB-SG 3.44Å
518V91.4Very high82.2Confident38 Ų3875.4 Ų75.423%0.2340%0.395CS..EExtended strand (participates in β ladder)trans-125.7121.7174-176.90000108.5F509 K511 G533 I534F509-V518 WeakPolarHBondContact CB-O 3.36Å; F509-V518 PolarHBondContact N-O 2.99Å; F509-V518 PolarHBondContact O-N 3.44Å; K511-V518 HydrophobicContact CD-CG2 4.2Å; V518-G533 WeakPolarHBondContact CA-O 3.48Å; V518-I534 HydrophobicContact CG1-CG1 4.37Å; V518-I534 HydrophobicContact CG2-CG1 4.17Å; V518-I534 HydrophobicContact CG2-CG2 4.36Å
519S91.3Very high82.2Confident0 Ų073.3 Ų73.30%038%0.384CS..EExtended strand (participates in β ladder)trans-111.6133175.5-61.10000109.9K507 D508 H532 G533 C541 H542K507-S519 WeakPolarHBondContact O-CA 3.5Å; D508-S519 VanDerWaalsContact OD1-CB 3.22Å; D508-S519 WeakPolarHBondContact OD1-CB 3.39Å; D508-S519 PolarHBondContact OD1-OG 3.3Å; S519-H532 CarbonylContact O-C 3.58Å; S519-H532 VanDerWaalsContact O-CA 3.24Å; S519-H532 WeakPolarHBondContact O-CA 3.17Å; S519-G533 PolarHBondContact N-O 3.08Å; S519-G533 PolarHBondContact O-N 3.17Å; S519-C541 PolarHBondContact OG-SG 3.49Å; S519-H542 PolarHBondContact OG-CD2 2.77Å; S519-H542 VanDerWaalsContact OG-CD2 3.26Å
520L93.2Very high82.3Confident71 Ų7173.7 Ų73.737%0.37239%0.389SS..EExtended strand (participates in β ladder)trans-97.1132.9167-170.279000107.9K507 F509 I530 S531 H532K507-L520 PolarHBondContact N-O 3.29Å; K507-L520 PolarHBondContact O-N 3.42Å; F509-L520 HydrophobicContact CE2-CB 4.14Å; L520-I530 HydrophobicContact CD1-CG2 3.87Å; L520-I530 HydrophobicContact CG-CG2 4.18Å; L520-S531 WeakPolarHBondContact CD1-O 3.46Å; L520-H532 HydrophobicContact CD1-CB 4.31Å
521I93.8Very high82.8Confident0 Ų069 Ų690%036%0.359CS..EExtended strand (participates in β ladder)trans-112.9135175.5-164.8179.3000109.6L493 V504 E505 Y506 I530 S531 A545 A546 I549L493-I521 HydrophobicContact CD2-CD1 3.43Å; L493-I521 VanDerWaalsContact CD2-CD1 3.43Å; V504-I521 HydrophobicContact CG1-CD1 3.57Å; V504-I521 HydrophobicContact CG1-CG1 3.71Å; E505-I521 CarbonylContact O-C 3.01Å; E505-I521 WeakPolarHBondContact O-CA 3.47Å; Y506-I521 HydrophobicContact CD1-CB 4.22Å; Y506-I521 HydrophobicContact CD1-CD1 4.01Å; Y506-I521 HydrophobicContact CD1-CG1 3.91Å; Y506-I521 HydrophobicContact CE1-CB 4.31Å; Y506-I521 HydrophobicContact CE1-CD1 3.32Å; Y506-I521 HydrophobicContact CE1-CG1 3.77Å; Y506-I521 HydrophobicContact CE2-CD1 4.26Å; Y506-I521 HydrophobicContact CG-CG1 4.38Å; Y506-I521 VanDerWaalsContact CZ-CD1 3.48Å; I521-I530 WeakPolarHBondContact O-CA 3.38Å; I521-I530 WeakPolarHBondContact O-CG2 3.24Å; I521-S531 WeakPolarHBondContact CG2-OG 3.35Å; I521-S531 PolarHBondContact N-O 3.37Å; I521-S531 PolarHBondContact O-N 2.71Å; I521-S531 VanDerWaalsContact O-N 3.12Å; I521-A545 HydrophobicContact CB-CB 4.01Å; I521-A545 HydrophobicContact CG2-CB 3.8Å; I521-A546 HydrophobicContact CD1-CB 4.43Å; I521-I549 HydrophobicContact CD1-CG1 4.22Å; I521-I549 HydrophobicContact CG2-CD1 3.99Å; I521-I549 HydrophobicContact CG2-CG1 3.47Å; I521-I549 VanDerWaalsContact CG2-CG1 3.47Å
522N92.1Very high83.6Confident61 Ų6169.8 Ų69.833%0.32636%0.364SS..EExtended strand (participates in β ladder)trans-118.3117176.6177.731.3000108.5E505E505-N522 HydrophobicContact CB-CB 4.35Å; E505-N522 PolarHBondContact N-O 3.01Å; E505-N522 PolarHBondContact O-N 3.42Å; E505-N522 PolarHBondContact OE2-ND2 3.15Å
523C90.3Very high85Confident0 Ų061.9 Ų61.90%032%0.321CS..EExtended strand (participates in β ladder)trans-113.1118.3-177.2-177.50000109.5F502 S525 L529 I549F502-C523 WeakPolarHBondContact CD2-SG 3.35Å; F502-C523 WeakPolarHBondContact CE2-SG 3.5Å; C523-S525 PolarHBondContact O-N 2.96Å; C523-L529 HydrophobicContact CB-CB 4.29Å; C523-L529 WeakPolarHBondContact CB-O 3.39Å; C523-L529 PolarHBondContact N-O 2.68Å; C523-L529 PolarHBondContact O-N 3.33Å; C523-I549 HydrophobicContact CB-CD1 4.29Å; C523-I549 HydrophobicContact CB-CG2 4.15Å
524S87Confident86.3Confident39 Ų3960.3 Ų60.327%0.27331%0.312SS..  trans-78.830.9-179.888.90000113.1Q503Q503-S524 PolarHBondContact N-OG 3.31Å; Q503-S524 PolarHBondContact O-N 3.21Å
525S82.6Confident87.2Confident9 Ų951.1 Ų51.16%0.06328%0.275CS..  trans-61.9173.1171.354.90000111.1C523 P527 P528 L529C523-S525 PolarHBondContact O-N 2.96Å; S525-P527 VanDerWaalsContact C-C 3.4Å; S525-P527 CarbonylContact C-O 3.45Å; S525-P527 WeakPolarHBondContact CB-O 3.49Å; S525-P527 CarbonylContact O-C 3.52Å; S525-P527 VanDerWaalsContact O-O 3.11Å; S525-P527 PolarHBondContact OG-O 3.27Å; S525-P528 WeakPolarHBondContact O-CA 3.48Å; S525-L529 WeakPolarHBondContact OG-CG 3.43Å
526Q76.2Confident88.2Confident92 Ų9252.2 Ų52.243%0.4327%0.274SS..SBendtrans-121.9103.9174.6-173.662.450.900108.8P444P444-Q526 HydrophobicContact CB-CG 3.75Å; P444-Q526 HydrophobicContact CG-CG 4.32Å
527P79.4Confident88.5Confident58 Ų5853.2 Ų53.238%0.37728%0.282SS..SBendcis-69.5157.52.631.9-37.2000113.6S525 L556S525-P527 VanDerWaalsContact C-C 3.4Å; S525-P527 CarbonylContact C-O 3.45Å; S525-P527 WeakPolarHBondContact CB-O 3.49Å; S525-P527 CarbonylContact O-C 3.52Å; S525-P527 VanDerWaalsContact O-O 3.11Å; S525-P527 PolarHBondContact OG-O 3.27Å; P527-L556 HydrophobicContact CG-CD2 3.78Å
528P83.8Confident88.7Confident89 Ų8952.5 Ų52.558%0.57828%0.282SS*.  trans-68.7135.9177.327.9-34.6000110.3S525S525-P528 WeakPolarHBondContact O-CA 3.48Å
529L89.3Confident88.6Confident24 Ų2456.3 Ų56.313%0.12630%0.298CS..EExtended strand (participates in β ladder)trans-119.7136.5-174.7-64.6176.4000110.7C523 S525 I549 L552 L553C523-L529 HydrophobicContact CB-CB 4.29Å; C523-L529 WeakPolarHBondContact CB-O 3.39Å; C523-L529 PolarHBondContact N-O 2.68Å; C523-L529 PolarHBondContact O-N 3.33Å; S525-L529 WeakPolarHBondContact OG-CG 3.43Å; L529-I549 HydrophobicContact CB-CD1 3.64Å; L529-L552 HydrophobicContact CD1-CB 3.91Å; L529-L552 HydrophobicContact CD2-CB 4.39Å; L529-L553 HydrophobicContact CD1-CD2 3.51Å; L529-L553 HydrophobicContact CD1-CG 3.74Å
530I91Very high88.6Confident107 Ų10758.6 Ų58.655%0.54931%0.314SS..EExtended strand (participates in β ladder)trans-127.6132.4176.9-60.2175.1000107.7L520 I521L520-I530 HydrophobicContact CD1-CG2 3.87Å; L520-I530 HydrophobicContact CG-CG2 4.18Å; I521-I530 WeakPolarHBondContact O-CA 3.38Å; I521-I530 WeakPolarHBondContact O-CG2 3.24Å
531S91.9Very high88.6Confident10 Ų1055.2 Ų55.27%0.0730%0.296CS..EExtended strand (participates in β ladder)trans-135.5172.8174.3107.30000110.6L520 I521 A545L520-S531 WeakPolarHBondContact CD1-O 3.46Å; I521-S531 WeakPolarHBondContact CG2-OG 3.35Å; I521-S531 PolarHBondContact N-O 3.37Å; I521-S531 PolarHBondContact O-N 2.71Å; I521-S531 VanDerWaalsContact O-N 3.12Å; S531-A545 WeakPolarHBondContact OG-CA 3.38Å; S531-A545 PolarHBondContact OG-O 2.93Å
532H92.4Very high88.6Confident107 Ų10757.1 Ų57.150%0.49531%0.305SS..EExtended strand (participates in β ladder)trans-130.2152.2168.662.6-75.6000110.2S519 L520 N548S519-H532 CarbonylContact O-C 3.58Å; S519-H532 VanDerWaalsContact O-CA 3.24Å; S519-H532 WeakPolarHBondContact O-CA 3.17Å; L520-H532 HydrophobicContact CD1-CB 4.31Å; H532-N548 PolarHBondContact O-ND2 3.08Å
533G90.8Very high88.7Confident1 Ų155.6 Ų55.61%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-125.9146.9171.300000110.1V518 S519 C541V518-G533 WeakPolarHBondContact CA-O 3.48Å; S519-G533 PolarHBondContact N-O 3.08Å; S519-G533 PolarHBondContact O-N 3.17Å; G533-C541 WeakPolarHBondContact CA-O 3.36Å; G533-C541 WeakPolarHBondContact O-CB 3.38Å
534I90.9Very high88.8Confident83 Ų8359.8 Ų59.843%0.42632%0.317SS..EExtended strand (participates in β ladder)trans-125.4129.5174.6-52.3-178.7000106.5F517 V518F517-I534 WeakPolarHBondContact O-CA 3.42Å; V518-I534 HydrophobicContact CG1-CG1 4.37Å; V518-I534 HydrophobicContact CG2-CG1 4.17Å; V518-I534 HydrophobicContact CG2-CG2 4.36Å
535G87.4Confident89.2Confident10 Ų1057.9 Ų57.910%0.10330%0.304CS..EExtended strand (participates in β ladder)trans-149.2167.6-171.800000111.5E516 F517 D537E516-G535 WeakPolarHBondContact CA-O 3.46Å; F517-G535 PolarHBondContact N-O 3.4Å; F517-G535 PolarHBondContact O-N 3.05Å; F517-G535 VanDerWaalsContact O-N 3.08Å; G535-D537 VanDerWaalsContact C-N 3.34Å
536K88.2Confident89.7Confident154 Ų15457.5 Ų57.567%0.6730%0.301SS*.SBendtrans-76.2-28.7175.8-66178.3-178.4175.40112.2F517F517-K536 VanDerWaalsContact CD2-O 3.26Å; F517-K536 WeakPolarHBondContact CD2-O 3.28Å; F517-K536 WeakPolarHBondContact CE2-O 3.47Å
537D89.4Confident90.5Very high101 Ų10155.3 Ų55.354%0.5429%0.292SS..SBendtrans-131.7157-177.4-50-73000109G535 E539 S540 C541G535-D537 VanDerWaalsContact C-N 3.34Å; D537-E539 VanDerWaalsContact C-N 3.27Å; D537-E539 PolarHBondContact O-N 3.08Å; D537-S540 WeakPolarHBondContact O-CB 3.27Å; D537-S540 PolarHBondContact O-N 2.95Å; D537-C541 PolarHBondContact O-N 2.74Å; D537-C541 VanDerWaalsContact O-N 3.12Å; D537-C541 PolarHBondContact O-SG 2.87Å; D537-C541 VanDerWaalsContact O-SG 3.39Å
538V90Very high91.2Very high48 Ų4855.2 Ų55.229%0.29129%0.288SS..Hα-helixtrans-55-44-1781760000111.7D508 F517 S540 C541 H542D508-V538 WeakPolarHBondContact OD2-CG1 3.39Å; F517-V538 HydrophobicContact CD1-CG2 3.73Å; F517-V538 HydrophobicContact CD2-CG2 4.42Å; F517-V538 HydrophobicContact CE1-CG2 3.9Å; F517-V538 HydrophobicContact CG-CG2 4.01Å; F517-V538 HydrophobicContact CZ-CG2 4.32Å; V538-S540 VanDerWaalsContact C-N 3.3Å; V538-S540 PolarHBondContact O-N 3.41Å; V538-C541 VanDerWaalsContact CA-SG 3.52Å; V538-C541 PolarHBondContact O-N 2.95Å; V538-C541 PolarHBondContact O-SG 3.16Å; V538-H542 PolarHBondContact O-CD2 3.1Å; V538-H542 PolarHBondContact O-N 3.37Å
539E90.5Very high91.6Very high119 Ų11951 Ų5156%0.55626%0.261SS*.Hα-helixtrans-66.1-33.9-179.9-52.9173.2-162.900112.2R488 D537 H542 D543R488-E539 IonicContact CZ-OE2 2.66Å; R488-E539 IonicContact NH1-OE2 2.74Å; R488-E539 PolarHBondContact NH1-OE2 3.31Å; R488-E539 IonicContact NH2-OE2 2.66Å; D537-E539 VanDerWaalsContact C-N 3.27Å; D537-E539 PolarHBondContact O-N 3.08Å; E539-H542 PolarHBondContact O-N 3.28Å; E539-D543 PolarHBondContact O-N 3.5Å
540S91.2Very high91.7Very high48 Ų4849.8 Ų49.834%0.33626%0.255SS..Hα-helixtrans-71-35.5177.2176.50000112D537 V538 M544D537-S540 WeakPolarHBondContact O-CB 3.27Å; D537-S540 PolarHBondContact O-N 2.95Å; V538-S540 VanDerWaalsContact C-N 3.3Å; V538-S540 PolarHBondContact O-N 3.41Å; S540-M544 WeakPolarHBondContact O-CB 3.32Å; S540-M544 PolarHBondContact O-N 2.99Å; S540-M544 VanDerWaalsContact O-N 3.11Å
541C92.8Very high91.7Very high0 Ų049.3 Ų49.30%025%0.249CC..Hα-helixtrans-75-29.1170.644.40000113.2F517 S519 G533 D537 V538 A545F517-C541 WeakPolarHBondContact CB-SG 3.44Å; S519-C541 PolarHBondContact OG-SG 3.49Å; G533-C541 WeakPolarHBondContact CA-O 3.36Å; G533-C541 WeakPolarHBondContact O-CB 3.38Å; D537-C541 PolarHBondContact O-N 2.74Å; D537-C541 VanDerWaalsContact O-N 3.12Å; D537-C541 PolarHBondContact O-SG 2.87Å; D537-C541 VanDerWaalsContact O-SG 3.39Å; V538-C541 VanDerWaalsContact CA-SG 3.52Å; V538-C541 PolarHBondContact O-N 2.95Å; V538-C541 PolarHBondContact O-SG 3.16Å; C541-A545 VanDerWaalsContact O-CB 3.27Å; C541-A545 WeakPolarHBondContact O-CB 3.16Å; C541-A545 PolarHBondContact O-N 3.25Å
542H93.4Very high91.6Very high40 Ų4052.2 Ų52.219%0.18526%0.263CS..Hα-helixtrans-61.7-50.1168.9-69.4179.1000111.4Y506 D508 S519 V538 E539 M544 A545 A546Y506-H542 HydrophobicContact CD1-CB 4.07Å; Y506-H542 AromaticContact CD1-CD2 3.56Å; Y506-H542 AromaticContact CD1-CG 3.71Å; Y506-H542 HydrophobicContact CE1-CB 3.84Å; Y506-H542 AromaticContact CE1-CG 3.99Å; D508-H542 VanDerWaalsContact CG-NE2 3.29Å; D508-H542 IonicContact OD1-CD2 3.07Å; D508-H542 PolarHBondContact OD1-CD2 3.5Å; D508-H542 IonicContact OD1-CE1 2.77Å; D508-H542 IonicContact OD1-NE2 3.24Å; D508-H542 PolarHBondContact OD1-NE2 3.19Å; D508-H542 IonicContact OD2-CE1 2.7Å; D508-H542 IonicContact OD2-NE2 3.81Å; D508-H542 PolarHBondContact OD2-NE2 2.9Å; D508-H542 VanDerWaalsContact OD2-NE2 3.07Å; S519-H542 PolarHBondContact OG-CD2 2.77Å; S519-H542 VanDerWaalsContact OG-CD2 3.26Å; V538-H542 PolarHBondContact O-CD2 3.1Å; V538-H542 PolarHBondContact O-N 3.37Å; E539-H542 PolarHBondContact O-N 3.28Å; H542-M544 VanDerWaalsContact C-N 3.35Å; H542-M544 PolarHBondContact O-N 3.48Å; H542-A545 PolarHBondContact O-N 3.45Å; H542-A546 VanDerWaalsContact O-CB 3.28Å; H542-A546 WeakPolarHBondContact O-CB 3.47Å; H542-A546 PolarHBondContact O-N 2.96Å
543D93.7Very high91.4Very high28 Ų2847.1 Ų47.115%0.1524%0.24CC..Hα-helixtrans-58.5-44.3177.1-77.5-32.5000112.1R488 P489 S490 E539 A546 L547R488-D543 IonicContact CZ-OD2 2.8Å; R488-D543 IonicContact NE-OD1 3.45Å; R488-D543 IonicContact NE-OD2 3.97Å; R488-D543 PolarHBondContact NE-OD2 2.92Å; R488-D543 IonicContact NH2-OD2 3.6Å; R488-D543 PolarHBondContact NH2-OD2 3.29Å; P489-D543 WeakPolarHBondContact CB-O 3.4Å; P489-D543 HydrophobicContact CG-CB 4.47Å; S490-D543 VanDerWaalsContact CB-OD1 3.22Å; S490-D543 WeakPolarHBondContact CB-OD1 3.24Å; S490-D543 PolarHBondContact N-OD1 2.78Å; S490-D543 VanDerWaalsContact N-OD1 3.12Å; S490-D543 PolarHBondContact OG-OD1 3.03Å; E539-D543 PolarHBondContact O-N 3.5Å; D543-A546 PolarHBondContact O-N 2.87Å; D543-L547 VanDerWaalsContact O-CB 3.25Å; D543-L547 WeakPolarHBondContact O-CB 3.44Å; D543-L547 PolarHBondContact O-N 2.77Å
544M93.5Very high91.3Very high88 Ų8847.8 Ų47.843%0.43324%0.244SC..Hα-helixtrans-66.4-38.7178.2-170.259.760.300112.5S540 H542 N548S540-M544 WeakPolarHBondContact O-CB 3.32Å; S540-M544 PolarHBondContact O-N 2.99Å; S540-M544 VanDerWaalsContact O-N 3.11Å; H542-M544 VanDerWaalsContact C-N 3.35Å; H542-M544 PolarHBondContact O-N 3.48Å; M544-N548 PolarHBondContact O-N 3.15Å; M544-N548 PolarHBondContact O-ND2 3.21Å
545A94.4Very high91Very high0 Ų048.3 Ų48.30%025%0.245CC..Hα-helixtrans-67.4-4417600000111.5I521 S531 C541 H542 N548 I549I521-A545 HydrophobicContact CB-CB 4.01Å; I521-A545 HydrophobicContact CG2-CB 3.8Å; S531-A545 WeakPolarHBondContact OG-CA 3.38Å; S531-A545 PolarHBondContact OG-O 2.93Å; C541-A545 VanDerWaalsContact O-CB 3.27Å; C541-A545 WeakPolarHBondContact O-CB 3.16Å; C541-A545 PolarHBondContact O-N 3.25Å; H542-A545 PolarHBondContact O-N 3.45Å; A545-N548 PolarHBondContact O-N 2.99Å; A545-I549 PolarHBondContact O-N 2.78Å; A545-I549 VanDerWaalsContact O-N 3.14Å
546A94Very high90.3Very high0 Ų049.1 Ų49.10%025%0.246CC..Hα-helixtrans-65.4-43.2179.800000112.1P489 L493 I521 H542 D543 N548 I549 L550P489-A546 HydrophobicContact CB-CB 4.4Å; P489-A546 WeakPolarHBondContact O-CB 3.45Å; L493-A546 HydrophobicContact CB-CB 4.05Å; L493-A546 HydrophobicContact CD2-CB 3.76Å; I521-A546 HydrophobicContact CD1-CB 4.43Å; H542-A546 VanDerWaalsContact O-CB 3.28Å; H542-A546 WeakPolarHBondContact O-CB 3.47Å; H542-A546 PolarHBondContact O-N 2.96Å; D543-A546 PolarHBondContact O-N 2.87Å; A546-N548 VanDerWaalsContact C-N 3.27Å; A546-N548 PolarHBondContact O-N 2.8Å; A546-I549 PolarHBondContact O-N 2.89Å; A546-I549 VanDerWaalsContact O-N 3.07Å; A546-L550 WeakPolarHBondContact O-CG 3.44Å; A546-L550 PolarHBondContact O-N 2.79Å
547L93.2Very high89.1Confident46 Ų4644 Ų4424%0.24123%0.227CC..Hα-helixtrans-58.4-37.6174.6-176.8140.2000112.3P489 D543 K551P489-L547 HydrophobicContact CB-CB 3.74Å; P489-L547 HydrophobicContact CB-CD1 4.4Å; P489-L547 HydrophobicContact CG-CB 4.06Å; P489-L547 HydrophobicContact CG-CD1 3.86Å; D543-L547 VanDerWaalsContact O-CB 3.25Å; D543-L547 WeakPolarHBondContact O-CB 3.44Å; D543-L547 PolarHBondContact O-N 2.77Å; L547-K551 HydrophobicContact CD2-CD 4.01Å; L547-K551 WeakPolarHBondContact O-CG 3.43Å; L547-K551 PolarHBondContact O-N 2.7Å; L547-K551 VanDerWaalsContact O-N 3.08Å
548N93.3Very high87.3Confident56 Ų5645.5 Ų45.530%0.29923%0.23SC..Hα-helixtrans-68.1-38.3174.6-72.1-28.9000112.3H532 M544 A545 A546 L552H532-N548 PolarHBondContact O-ND2 3.08Å; M544-N548 PolarHBondContact O-N 3.15Å; M544-N548 PolarHBondContact O-ND2 3.21Å; A545-N548 PolarHBondContact O-N 2.99Å; A546-N548 VanDerWaalsContact C-N 3.27Å; A546-N548 PolarHBondContact O-N 2.8Å; N548-L552 WeakPolarHBondContact O-CG 3.32Å; N548-L552 PolarHBondContact O-N 2.95Å; N548-L552 VanDerWaalsContact O-N 3.15Å
549I92.3Very high85.2Confident0 Ų050.6 Ų50.60%025%0.251CS..Hα-helixtrans-67.7-44.5174.1-66.7-69000111.2L493 I521 C523 L529 A545 A546 K551 L552 L553L493-I549 HydrophobicContact CD1-CB 4.46Å; L493-I549 HydrophobicContact CD1-CG2 3.68Å; L493-I549 HydrophobicContact CD2-CB 3.85Å; L493-I549 HydrophobicContact CD2-CG1 4.39Å; L493-I549 HydrophobicContact CD2-CG2 3.82Å; L493-I549 HydrophobicContact CG-CG2 4.44Å; I521-I549 HydrophobicContact CD1-CG1 4.22Å; I521-I549 HydrophobicContact CG2-CD1 3.99Å; I521-I549 HydrophobicContact CG2-CG1 3.47Å; I521-I549 VanDerWaalsContact CG2-CG1 3.47Å; C523-I549 HydrophobicContact CB-CD1 4.29Å; C523-I549 HydrophobicContact CB-CG2 4.15Å; L529-I549 HydrophobicContact CB-CD1 3.64Å; A545-I549 PolarHBondContact O-N 2.78Å; A545-I549 VanDerWaalsContact O-N 3.14Å; A546-I549 PolarHBondContact O-N 2.89Å; A546-I549 VanDerWaalsContact O-N 3.07Å; I549-K551 VanDerWaalsContact C-N 3.3Å; I549-K551 PolarHBondContact O-N 3.22Å; I549-L552 PolarHBondContact O-N 2.88Å; I549-L552 VanDerWaalsContact O-N 3.15Å; I549-L553 HydrophobicContact CG2-CD1 3.79Å; I549-L553 HydrophobicContact CG2-CG 4.15Å; I549-L553 WeakPolarHBondContact O-CG 3.25Å; I549-L553 PolarHBondContact O-N 2.8Å
550L91.1Very high82.8Confident0 Ų048.9 Ų48.90%025%0.252CS..Hα-helixtrans-58.6-41.6177.7-75.3167.6000111.7A456 L460 P489 Q492 L493 L496 A546 L553 S554A456-L550 HydrophobicContact CB-CD2 4.49Å; L460-L550 HydrophobicContact CD1-CB 4.14Å; L460-L550 HydrophobicContact CD2-CB 3.87Å; L460-L550 HydrophobicContact CD2-CD1 4.32Å; L460-L550 HydrophobicContact CG-CB 4.04Å; P489-L550 HydrophobicContact CB-CD1 4.32Å; P489-L550 WeakPolarHBondContact O-CD1 3.34Å; Q492-L550 HydrophobicContact CB-CD1 3.75Å; L493-L550 HydrophobicContact CB-CD1 4.21Å; L493-L550 HydrophobicContact CB-CD2 4.23Å; L493-L550 HydrophobicContact CB-CG 4.08Å; L493-L550 HydrophobicContact CD1-CD2 4.05Å; L493-L550 HydrophobicContact CD1-CG 4.25Å; L496-L550 HydrophobicContact CD2-CD2 3.83Å; A546-L550 WeakPolarHBondContact O-CG 3.44Å; A546-L550 PolarHBondContact O-N 2.79Å; L550-L553 PolarHBondContact O-N 2.82Å; L550-S554 WeakPolarHBondContact O-CB 3.5Å; L550-S554 PolarHBondContact O-N 3.02Å
551K91.5Very high80.2Confident97 Ų9752.4 Ų52.442%0.42227%0.272SS..Hα-helixtrans-60-50172.7-76175.1177.5179.10112L460 L547 I549 L553 S554 E555L460-K551 HydrophobicContact CD1-CG 4.19Å; L547-K551 HydrophobicContact CD2-CD 4.01Å; L547-K551 WeakPolarHBondContact O-CG 3.43Å; L547-K551 PolarHBondContact O-N 2.7Å; L547-K551 VanDerWaalsContact O-N 3.08Å; I549-K551 VanDerWaalsContact C-N 3.3Å; I549-K551 PolarHBondContact O-N 3.22Å; K551-L553 VanDerWaalsContact C-N 3.33Å; K551-L553 PolarHBondContact O-N 3.49Å; K551-S554 WeakPolarHBondContact O-CB 3.23Å; K551-S554 PolarHBondContact O-N 2.74Å; K551-S554 VanDerWaalsContact O-N 3.08Å; K551-S554 PolarHBondContact O-OG 2.89Å; K551-E555 WeakPolarHBondContact O-CG 3.21Å; K551-E555 PolarHBondContact O-N 3.39Å; K551-E555 VanDerWaalsContact O-N 3.08Å
552L90.5Very high77.2Confident70 Ų7061 Ų6137%0.36631%0.312SS..Hα-helixtrans-58.8-42.9177.2-70.1168.6000112.1L529 N548 I549 S554 E555 L556L529-L552 HydrophobicContact CD1-CB 3.91Å; L529-L552 HydrophobicContact CD2-CB 4.39Å; N548-L552 WeakPolarHBondContact O-CG 3.32Å; N548-L552 PolarHBondContact O-N 2.95Å; N548-L552 VanDerWaalsContact O-N 3.15Å; I549-L552 PolarHBondContact O-N 2.88Å; I549-L552 VanDerWaalsContact O-N 3.15Å; L552-S554 VanDerWaalsContact C-N 3.33Å; L552-S554 PolarHBondContact O-N 3.16Å; L552-E555 PolarHBondContact O-N 3.48Å; L552-L556 PolarHBondContact O-N 3.13Å
553L88.4Confident74.2Confident1 Ų166.9 Ų66.91%0.00534%0.342CS..Hα-helixtrans-61.5-40.2174.3-70.6172.3000111.9T452 A453 A456 L493 L496 F502 L529 I549 L550 K551 E555 L556T452-L553 HydrophobicContact CG2-CD2 4.04Å; A453-L553 VanDerWaalsContact CA-O 3.3Å; A453-L553 WeakPolarHBondContact CA-O 3.22Å; A453-L553 WeakPolarHBondContact CB-O 3.46Å; A456-L553 HydrophobicContact CB-CB 3.89Å; L493-L553 HydrophobicContact CD1-CD1 3.92Å; L496-L553 HydrophobicContact CD2-CD1 3.64Å; F502-L553 HydrophobicContact CZ-CD1 4.09Å; L529-L553 HydrophobicContact CD1-CD2 3.51Å; L529-L553 HydrophobicContact CD1-CG 3.74Å; I549-L553 HydrophobicContact CG2-CD1 3.79Å; I549-L553 HydrophobicContact CG2-CG 4.15Å; I549-L553 WeakPolarHBondContact O-CG 3.25Å; I549-L553 PolarHBondContact O-N 2.8Å; L550-L553 PolarHBondContact O-N 2.82Å; K551-L553 VanDerWaalsContact C-N 3.33Å; K551-L553 PolarHBondContact O-N 3.49Å; L553-E555 VanDerWaalsContact C-N 3.26Å; L553-E555 PolarHBondContact O-N 2.83Å; L553-L556 HydrophobicContact CD2-CD1 3.81Å; L553-L556 PolarHBondContact O-N 3.08Å
554S87.8Confident71.2Confident15 Ų1571.1 Ų71.111%0.10537%0.371CS..Hα-helixtrans-67.2-23.8177.683.60000113.9R457 L550 K551 L552R457-S554 VanDerWaalsContact CZ-O 3.27Å; R457-S554 PolarHBondContact NE-O 3.27Å; R457-S554 PolarHBondContact NH2-O 3.15Å; L550-S554 WeakPolarHBondContact O-CB 3.5Å; L550-S554 PolarHBondContact O-N 3.02Å; K551-S554 WeakPolarHBondContact O-CB 3.23Å; K551-S554 PolarHBondContact O-N 2.74Å; K551-S554 VanDerWaalsContact O-N 3.08Å; K551-S554 PolarHBondContact O-OG 2.89Å; L552-S554 VanDerWaalsContact C-N 3.33Å; L552-S554 PolarHBondContact O-N 3.16Å
555E84.9Confident68.6Low94 Ų9479.1 Ų79.144%0.43940%0.396SS..Hα-helixtrans-91.3-15.9-180-71.9175.7-169.900113.3K551 L552 L553 D557 Q558K551-E555 WeakPolarHBondContact O-CG 3.21Å; K551-E555 PolarHBondContact O-N 3.39Å; K551-E555 VanDerWaalsContact O-N 3.08Å; L552-E555 PolarHBondContact O-N 3.48Å; L553-E555 VanDerWaalsContact C-N 3.26Å; L553-E555 PolarHBondContact O-N 2.83Å; E555-D557 PolarHBondContact O-N 3.05Å; E555-D557 VanDerWaalsContact O-N 3.1Å; E555-Q558 PolarHBondContact O-N 2.93Å
556L73Confident65.6Low26 Ų2685.7 Ų85.714%0.13644%0.436CS..G310 helixtrans-53.9-33.7-178.2-77.6177.4000114.1P527 L552 L553 Q558P527-L556 HydrophobicContact CG-CD2 3.78Å; L552-L556 PolarHBondContact O-N 3.13Å; L553-L556 HydrophobicContact CD2-CD1 3.81Å; L553-L556 PolarHBondContact O-N 3.08Å; L556-Q558 VanDerWaalsContact C-N 3.29Å; L556-Q558 PolarHBondContact O-N 2.92Å
557D61.7Low62.6Low47 Ų4789 Ų8925%0.25147%0.471SS..G310 helixtrans-63.4-29.8178.7169.166.6000113A453 R457 E555 S560A453-D557 HydrophobicContact CB-CB 3.73Å; R457-D557 IonicContact CZ-OD2 3.64Å; R457-D557 VanDerWaalsContact CZ-OD2 3.24Å; R457-D557 IonicContact NH1-OD2 2.63Å; R457-D557 PolarHBondContact NH1-OD2 3.33Å; R457-D557 IonicContact NH2-OD2 2.86Å; R457-D557 PolarHBondContact NH2-OD2 2.96Å; E555-D557 PolarHBondContact O-N 3.05Å; E555-D557 VanDerWaalsContact O-N 3.1Å; D557-S560 PolarHBondContact O-OG 3.01Å; D557-S560 VanDerWaalsContact O-OG 3.07Å
558Q52.9Low59.6Low133 Ų13395.2 Ų95.262%0.62150%0.504SS*.G310 helixtrans-80.5-23.8-176.4-65.1177.817.200114.2E555 L556 S560E555-Q558 PolarHBondContact O-N 2.93Å; L556-Q558 VanDerWaalsContact C-N 3.29Å; L556-Q558 PolarHBondContact O-N 2.92Å; Q558-S560 VanDerWaalsContact C-N 3.25Å; Q558-S560 PolarHBondContact O-N 2.96Å
559Q44.7Very low56.5Low154 Ų15495.7 Ų95.772%0.7252%0.522SS*.G310 helixtrans-76.9-10.8-178.3-67.1-174.7-0.600113.6
560S40.1Very low53.7Low83 Ų83102.1 Ų102.158%0.5856%0.564SS**G310 helixtrans-73.9-24.2-176.4-32.80000114.4D557 Q558D557-S560 PolarHBondContact O-OG 3.01Å; D557-S560 VanDerWaalsContact O-OG 3.07Å; Q558-S560 VanDerWaalsContact C-N 3.25Å; Q558-S560 PolarHBondContact O-N 2.96Å
561T36.8Very low50.9Low123 Ų123110.9 Ų110.976%0.75561%0.607SS**SBendtrans-95.2-15.8-162.1-58.60000114.1
562E30.4Very low48Very low180 Ų180112 Ų11284%0.84163%0.627SS**  trans-118.574.7-179.1-67-164.9160.100113
563M28.9Very low45.4Very low164 Ų164114.8 Ų114.881%0.80865%0.647SS**  trans-119.9106.2164.7-86.6-86.9-80.600109.5R565M563-R565 PolarHBondContact O-N 2.94Å
564P31.2Very low42.7Very low117 Ų117120.8 Ų120.876%0.7669%0.687SS**  trans-63.9122.9176.1-20.232.2000110.9T566P564-T566 PolarHBondContact O-N 3.5Å
565R38.8Very low40Very low255 Ų255123.2 Ų123.296%0.96272%0.715SS**  trans-70.3107.6168.6-78.5-177.7171.2162.2-2.6109.9M563M563-R565 PolarHBondContact O-N 2.94Å
566T32.6Very low37.7Very low138 Ų138130.4 Ų130.485%0.84774%0.738SS**  trans-117.2128.2153.850.80000108.4P564P564-T566 PolarHBondContact O-N 3.5Å
567G29.8Very low35.9Very low70 Ų70139.1 Ų139.172%0.72280%0.799SS**  trans-105.4-168.5-167.800000114.9
568N31Very low34.6Very low176 Ų176143.8 Ų143.894%0.94183%0.826SS**  trans8388.4164.8-58.5-4.1000117.9
569G28.1Very low33.7Very low67 Ų67144.3 Ų144.369%0.69184%0.837SS**  trans-128.8145.7141.800000108.2
570P34.4Very low33.1Very low135 Ų135143.8 Ų143.888%0.87784%0.844SS**  trans-74.2144.7-164.729-35.3000113.5
571M30.5Very low32.6Very low184 Ų184147.4 Ų147.491%0.90686%0.859SS**  trans-71.7130.8169.5-65.5-157.9-16600110.6
572S30.8Very low32.4Very low120 Ų120148.9 Ų148.984%0.83987%0.866SS**  trans-97.4110.5161-168.20000108.5
573V36.4Very low32.5Very low128 Ų128146.8 Ų146.878%0.77687%0.867SS**  trans-86.1125170.5174.10000107.9
574C31.5Very low32.8Very low127 Ų127145.6 Ų145.686%0.85887%0.872SS**  trans-133.6118.1157.6-157.10000108.2
575G32.3Very low32.9Very low66 Ų66147.8 Ų147.868%0.6888%0.88SS**  trans-84.3171.4-176.100000112.8
576R36.3Very low32.4Very low245 Ų245138.8 Ų138.893%0.92587%0.873SS**  trans-67.9138.4168.5-58.6176.5-176.3-173.6-0.3110.3
577C35.3Very low32.4Very low210 Ų210138.9 Ų138.9100%1.41988%0.876SS**  trans-1380130.6-83.40000106.4

Retrieved 577 of 577 residues in 308.5 ms (Link to these results)