A0A087XCV1_POEFO Loading...

Aristaless related homeobox a

AlphaFold DB (A0A3B3TSY8), UniProt , Accession A0A087XCV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 469 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
1M33.2Very low36.2Very low231 Ų231163.9 Ų163.9100%1.13885%0.852SS**  0110.10-58.1171.992.600104.9
2S35.6Very low36.6Very low121 Ų121171.3 Ų171.385%0.84686%0.861SS**  73.5127.286-49.50000110.6
3A35.3Very low36.2Very low78 Ų78162.6 Ų162.665%0.64584%0.84SS**  cis-150.8148.21.900000109.1
4Q33.5Very low36Very low152 Ų152160.7 Ų160.771%0.7183%0.826SS**  66.5127.796-66.7178.7-10600117.7
5F35.6Very low36.3Very low186 Ų186163.3 Ų163.382%0.81682%0.821SS**  trans70.1150.8150.8-64.1-158.4000115.3
6E40.2Very low36.2Very low182 Ų182165.8 Ų165.885%0.8583%0.825SS**  cis-132.51372.4-59.6171.388.400110.1
7E37Very low36Very low208 Ų208162.4 Ų162.497%0.97282%0.82SS**  trans-172.561.5148.6-118-171.7136.200111.6
8D34.1Very low36.1Very low154 Ų154159.5 Ų159.582%0.82482%0.818SS**  trans-150.683.6172.2-169.1-2.6000111.1
9I41.9Very low36.5Very low158 Ų158161.2 Ų161.281%0.8182%0.819SS**  trans-173.4139163.6-100.4148.6000107.9
10L37.8Very low36.5Very low171 Ų171158.4 Ų158.490%0.89582%0.815SS**  trans101.844.4179-58177.9000119.4
11D33.9Very low36.9Very low162 Ų162156.7 Ų156.787%0.86681%0.814SS**  trans-136.5101.3134.8-169.728.2000112.7
12R41Very low37.8Very low253 Ų253151.3 Ų151.396%0.95579%0.794SS**  trans-156.258.7174.7-165.5176.3167.9177.8-4.4111.1
13G31.9Very low38.6Very low58 Ų58153.7 Ų153.760%0.59880%0.796SS**  trans-117.2131.5-178.700000114.8
14E32.7Very low39.3Very low136 Ų136157.1 Ų157.164%0.63680%0.803SS**  trans68.990.7144.7-61.4-78.691.500121.4
15R40.2Very low40Very low200 Ų200154.1 Ų154.176%0.75580%0.799SS**  trans71142.2132.3-58.7171.7-152.5-155.212.5117.6
16K34.7Very low40.5Very low203 Ų203148.5 Ų148.588%0.88378%0.783SS**  -145147.754-74.9143.1-173.61660113.7
17S32.8Very low41Very low107 Ų107148.6 Ų148.675%0.74878%0.777SS**PPolyproline II helixtrans-66.2130.1-178.3165.80000113.1
18S38.8Very low41.7Very low111 Ų111141.8 Ų141.878%0.77675%0.751SS**PPolyproline II helixtrans-77.8132.616544.40000110.7
19K43Very low42.7Very low192 Ų192138.8 Ų138.884%0.83573%0.734SS**PPolyproline II helixtrans-81.5137.8176.1-75.5100.5173.2-169.80111.9P21K19-P21 VanDerWaalsContact O-CD 3.29Å; K19-P21 WeakPolarHBondContact O-CD 3.12Å
20S37.3Very low43.2Very low105 Ų105135 Ų13573%0.73472%0.716SS**  trans-57.498.9169.972.70000121.6T22S20-T22 VanDerWaalsContact C-N 3.35Å; S20-T22 PolarHBondContact O-N 2.84Å; S20-T22 VanDerWaalsContact O-N 3.14Å
21P44.8Very low43.8Very low123 Ų123131.7 Ų131.780%0.79971%0.707SS**  trans-89.764.6173.136.8-34000112.2K19K19-P21 VanDerWaalsContact O-CD 3.29Å; K19-P21 WeakPolarHBondContact O-CD 3.12Å
22T51.6Low44.6Very low117 Ų117130.8 Ų130.872%0.71870%0.7SS**  trans-108.957.8-178.448.90000113.3S20S20-T22 VanDerWaalsContact C-N 3.35Å; S20-T22 PolarHBondContact O-N 2.84Å; S20-T22 VanDerWaalsContact O-N 3.14Å
23L52.3Low45.4Very low171 Ų171123.6 Ų123.690%0.89568%0.68SS**  trans-130.343.1172.2-72179000112.5
24L50.5Low46.2Very low150 Ų150124.2 Ų124.279%0.78569%0.687SS**  trans-124.231.3-179.1-146.680000113.4C28L24-C28 PolarHBondContact O-SG 2.68Å
25S48.4Very low47.2Very low90 Ų90126.3 Ų126.363%0.62969%0.689SS**SBendtrans-128.28-171.9-163.20000115.9I29S25-I29 WeakPolarHBondContact O-CD1 3.48Å
26S46.4Very low47.8Very low68 Ų68128.4 Ų128.448%0.47670%0.697SS.*SBendtrans-95.2-67.6169.449.40000111C28 I29S26-C28 PolarHBondContact O-N 3.06Å; S26-I29 WeakPolarHBondContact O-CB 3.45Å; S26-I29 PolarHBondContact O-N 2.88Å
27Y49.1Very low48.5Very low184 Ų184123 Ų12372%0.72268%0.684SS**Hα-helixtrans-52.7-28.5-177-78.4-85.5000115.3I29 S31Y27-I29 VanDerWaalsContact C-N 3.32Å; Y27-S31 PolarHBondContact O-OG 2.97Å
28C53.3Low49.7Very low65 Ų65124 Ų12444%0.43969%0.688SS.*Hα-helixtrans-71.1-24.4176.9-59.80000113.5L24 S26 I32L24-C28 PolarHBondContact O-SG 2.68Å; S26-C28 PolarHBondContact O-N 3.06Å; C28-I32 WeakPolarHBondContact O-CD1 3.48Å; C28-I32 WeakPolarHBondContact O-CG1 3.32Å
29I54.9Low49.8Very low90 Ų90123.5 Ų123.546%0.46268%0.684SS.*Hα-helixtrans-82.7-48.2-177-59-179.7000110.6S25 S26 Y27 S31 I32 L33S25-I29 WeakPolarHBondContact O-CD1 3.48Å; S26-I29 WeakPolarHBondContact O-CB 3.45Å; S26-I29 PolarHBondContact O-N 2.88Å; Y27-I29 VanDerWaalsContact C-N 3.32Å; I29-S31 PolarHBondContact O-N 3.02Å; I29-I32 PolarHBondContact O-N 3.13Å; I29-L33 HydrophobicContact CG2-CD1 4.01Å; I29-L33 PolarHBondContact O-N 2.96Å; I29-L33 VanDerWaalsContact O-N 3.12Å
30D52.8Low49.7Very low80 Ų80124 Ų12443%0.42869%0.686SS.*Hα-helixtrans-59-35.7177.3-70-65000112.5I32 L33 G34D30-I32 VanDerWaalsContact C-N 3.25Å; D30-I32 PolarHBondContact O-N 3.01Å; D30-L33 PolarHBondContact O-N 3.08Å; D30-G34 PolarHBondContact O-N 3.08Å; D30-G34 VanDerWaalsContact O-N 3.12Å
31S48.6Very low49.9Very low100 Ų100125.4 Ų125.470%0.69969%0.69SS**Hα-helixtrans-62.2-28.7175.3-59.90000113.5Y27 I29Y27-S31 PolarHBondContact O-OG 2.97Å; I29-S31 PolarHBondContact O-N 3.02Å
32I50.9Low49.6Very low144 Ų144129.6 Ų129.674%0.73869%0.69SS**Hα-helixtrans-86.2-31.3177.7-66.1168.3000110.9C28 I29 D30 G34C28-I32 WeakPolarHBondContact O-CD1 3.48Å; C28-I32 WeakPolarHBondContact O-CG1 3.32Å; I29-I32 PolarHBondContact O-N 3.13Å; D30-I32 VanDerWaalsContact C-N 3.25Å; D30-I32 PolarHBondContact O-N 3.01Å; I32-G34 VanDerWaalsContact C-N 3.35Å
33L57.8Low48.9Very low102 Ų102132 Ų13253%0.53470%0.697SS.*Hα-helixtrans-87.30.8-179.1-64.1178.2000114.2I29 D30 R35I29-L33 HydrophobicContact CG2-CD1 4.01Å; I29-L33 PolarHBondContact O-N 2.96Å; I29-L33 VanDerWaalsContact O-N 3.12Å; D30-L33 PolarHBondContact O-N 3.08Å; L33-R35 HydrophobicContact CB-CG 4.29Å; L33-R35 PolarHBondContact O-N 3.14Å
34G49.8Very low48.3Very low71 Ų71130.9 Ų130.973%0.73269%0.69SS**THydrogen-bonded Turntrans67.913.7173.400000115.2D30 I32D30-G34 PolarHBondContact O-N 3.08Å; D30-G34 VanDerWaalsContact O-N 3.12Å; I32-G34 VanDerWaalsContact C-N 3.35Å
35R53.6Low47.3Very low179 Ų179126.6 Ų126.668%0.67568%0.683SS**PPolyproline II helixtrans-84.2123.2-176.5-57.9-173.5-172.9-1592.1109.7L33L33-R35 HydrophobicContact CB-CG 4.29Å; L33-R35 PolarHBondContact O-N 3.14Å
36R52.1Low46.5Very low245 Ų245126.7 Ų126.793%0.92569%0.689SS**PPolyproline II helixtrans-63.1136.2172.2-91.7179.4163.1-121.91.2110.1
37S50.6Low45.9Very low89 Ų89131.7 Ų131.762%0.62271%0.705SS**PPolyproline II helixtrans-55.2130.8-178.3176.30000113C39S37-C39 VanDerWaalsContact C-N 3.29Å; S37-C39 PolarHBondContact O-N 3.45Å; S37-C39 VanDerWaalsContact O-N 3.11Å
38P57.7Low45.1Very low128 Ų128128.4 Ų128.483%0.83171%0.708SS**  trans-86.748.8-176.436.8-37.2000113.4
39C40.4Very low44.1Very low100 Ų100132.8 Ų132.868%0.67673%0.727SS**  trans-106.157.4-179.9-700000113.5S37 V41S37-C39 VanDerWaalsContact C-N 3.29Å; S37-C39 PolarHBondContact O-N 3.45Å; S37-C39 VanDerWaalsContact O-N 3.11Å; C39-V41 PolarHBondContact O-N 3.14Å
40K42.1Very low43.2Very low203 Ų203135.6 Ų135.688%0.88375%0.749SS**  trans-90.376.7166-166.6-176.6-178.574.10109.7R42K40-R42 PolarHBondContact O-N 3.44Å; K40-R42 VanDerWaalsContact O-N 3.1Å
41V40.2Very low42.1Very low134 Ų134135.4 Ų135.481%0.81277%0.765SS**  trans-59.8115.6172.9176.20000108.4C39 L43C39-V41 PolarHBondContact O-N 3.14Å; V41-L43 PolarHBondContact O-N 3.01Å
42R38.2Very low41.2Very low212 Ų212138.8 Ų138.880%0.878%0.775SS**  trans-77.8102.9178.1178.8179.9-81.2129.2-9.7108K40 I44K40-R42 PolarHBondContact O-N 3.44Å; K40-R42 VanDerWaalsContact O-N 3.1Å; R42-I44 HydrophobicContact CG-CG1 4.46Å; R42-I44 PolarHBondContact O-N 2.91Å
43L36.8Very low41.1Very low166 Ų166137.6 Ų137.687%0.86978%0.776SS**  trans-63102.9172.6-176.869.7000109.1V41 G45V41-L43 PolarHBondContact O-N 3.01Å; L43-G45 PolarHBondContact O-N 2.87Å
44I39.2Very low39.6Very low148 Ų148136.5 Ų136.576%0.75979%0.79SS**  trans-86.9100.4167.7-59.9176.8000106.7R42R42-I44 HydrophobicContact CG-CG1 4.46Å; R42-I44 PolarHBondContact O-N 2.91Å
45G30.7Very low38.6Very low61 Ų61143.1 Ų143.163%0.62979%0.792SS**  trans-83.8141.4154.400000108.9L43L43-G45 PolarHBondContact O-N 2.87Å
46A31.6Very low37.5Very low91 Ų91137.6 Ų137.675%0.75279%0.792SS**  176164.398.600000112.2
47Q34.4Very low36.4Very low173 Ų173131.9 Ų131.981%0.80878%0.775SS**  trans66.385.1158.5-41.1-155.6104.700117.6
48S31Very low35.6Very low115 Ų115136.2 Ų136.280%0.80478%0.783SS**  trans-76.3138.8142.2179.40000108.8
49L33.6Very low34.3Very low157 Ų157135.3 Ų135.382%0.82277%0.771SS**  trans-134.6136.7167.6-76.2177.2000109.8
50T36Very low33.8Very low150 Ų150137.9 Ų137.992%0.9277%0.771SS**  trans-92.8144.2-178.320.50000112.1
51G28Very low33.3Very low76 Ų76133.5 Ų133.578%0.78476%0.762SS**  trans-172.7135.6174.200000113.8
52L29.7Very low33Very low170 Ų170132.6 Ų132.689%0.8976%0.756SS**  trans-136.7176.5-178.9-80.1174.6000107.8
53P49.3Very low32.7Very low119 Ų119130.2 Ų130.277%0.77376%0.76SS**  cis-138.2178.6-32.735.2-17000114.7
54G27.4Very low32.5Very low79 Ų79125.3 Ų125.381%0.81475%0.75SS**  trans92.3168.6153.100000118
55R28.7Very low32.7Very low210 Ų210124.5 Ų124.579%0.79275%0.754SS**  cis-158.3133.2-16.6-178.3-161.1-179.9-75.8-6.9110.9E57R55-E57 IonicContact CZ-OE2 2.67Å; R55-E57 IonicContact NH1-OE2 3.05Å; R55-E57 PolarHBondContact NH1-OE2 3.46Å; R55-E57 VanDerWaalsContact NH1-OE2 3.08Å; R55-E57 IonicContact NH2-OE2 3.05Å; R55-E57 PolarHBondContact NH2-OE2 3.22Å
56G30.2Very low32.7Very low64 Ų64127.6 Ų127.666%0.6676%0.761SS**  trans91.8178.1154.500000117.9
57E28.4Very low33Very low124 Ų124133.2 Ų133.258%0.57977%0.768SS**  cis178.7135.6-28.5-97.2-131.983.600108.5R55R55-E57 IonicContact CZ-OE2 2.67Å; R55-E57 IonicContact NH1-OE2 3.05Å; R55-E57 PolarHBondContact NH1-OE2 3.46Å; R55-E57 VanDerWaalsContact NH1-OE2 3.08Å; R55-E57 IonicContact NH2-OE2 3.05Å; R55-E57 PolarHBondContact NH2-OE2 3.22Å
58F33.3Very low33Very low180 Ų180132.5 Ų132.579%0.78977%0.765SS**  trans62.1152.3171.8-77.6-77.6000117.6
59D30.1Very low33.5Very low109 Ų109132.3 Ų132.358%0.58376%0.761SS**  cis-153.2162.7-7-166.8-160.3000112.3
60K30.9Very low33.5Very low154 Ų154133 Ų13367%0.6776%0.764SS**  trans68.6139.6148.9-136.398.980.7-155.30124.7
61T30.6Very low33.4Very low112 Ų112131.4 Ų131.469%0.68776%0.76SS**  trans90.4116.7139.219.30000122.9
62T35.2Very low33.9Very low114 Ų114135.8 Ų135.870%0.69976%0.764SS**  trans70.1113.2140.444.90000122.3
63D32.1Very low34.1Very low162 Ų162131 Ų13187%0.86676%0.755SS**  trans70.6152.8142.5-60.7-62000120.8
64G32.6Very low33.9Very low64 Ų64129.2 Ų129.266%0.6675%0.751SS**  trans-125.2-143.7-172.100000113
65P43.1Very low35Very low130 Ų130132.4 Ų132.484%0.84475%0.749SS**  -127.3119.5-57.633.9-24.5000112
66T31.4Very low36.5Very low127 Ų127128.9 Ų128.978%0.77975%0.746SS**  trans-134.8104.9171.3-40.90000110.3
67K36.5Very low37.9Very low209 Ų209133 Ų13391%0.90975%0.747SS**  trans-96.594.8170.6-77.5-173.4177.1179.60109.6P69K67-P69 VanDerWaalsContact O-CD 3.29Å; K67-P69 WeakPolarHBondContact O-CD 3.49Å
68E35.3Very low39.8Very low158 Ų158129.5 Ų129.574%0.73873%0.732SS**  trans-73.8115.2162.2-79.6-67.6145.400110
69P40.5Very low41.3Very low111 Ų111124.4 Ų124.472%0.72172%0.717SS**  trans-87.9105165.533.1-25.3000108.7K67 S71K67-P69 VanDerWaalsContact O-CD 3.29Å; K67-P69 WeakPolarHBondContact O-CD 3.49Å; P69-S71 PolarHBondContact O-N 3.1Å
70L34.7Very low43Very low170 Ų170124.4 Ų124.489%0.8972%0.723SS**  trans-40.7108.6-177.9-67.3166.8000113L72L70-L72 PolarHBondContact O-N 3.45Å
71S34.1Very low44.4Very low118 Ų118126.2 Ų126.283%0.82573%0.731SS**  trans-69.898.1175.2-173.90000109.9P69 G73P69-S71 PolarHBondContact O-N 3.1Å; S71-G73 VanDerWaalsContact C-N 3.34Å; S71-G73 PolarHBondContact O-N 3.34Å
72L37.3Very low45.8Very low168 Ų168124.3 Ų124.388%0.8872%0.716SS**  trans-71.991.3176.3-164.275.9000109L70 A74L70-L72 PolarHBondContact O-N 3.45Å; L72-A74 VanDerWaalsContact C-N 3.31Å; L72-A74 PolarHBondContact O-N 2.92Å
73G34.5Very low47.5Very low68 Ų68124.7 Ų124.770%0.70171%0.705SS**  trans-63.280.6-17400000114S71 D75S71-G73 VanDerWaalsContact C-N 3.34Å; S71-G73 PolarHBondContact O-N 3.34Å; G73-D75 PolarHBondContact O-N 3.33Å
74A46Very low49Very low82 Ų82127.9 Ų127.968%0.67871%0.705SS**  trans-72.778.316900000109.8L72 L76L72-A74 VanDerWaalsContact C-N 3.31Å; L72-A74 PolarHBondContact O-N 2.92Å; A74-L76 PolarHBondContact O-N 2.96Å
75D48.8Very low50.1Low146 Ų146128.4 Ų128.478%0.78169%0.692SS**  trans-73.165.1178-162.17.3000111.4G73 H77G73-D75 PolarHBondContact O-N 3.33Å; D75-H77 PolarHBondContact O-N 3.3Å
76L61.5Low50.9Low137 Ų137128.8 Ų128.872%0.71768%0.678SS**  trans-64.4100.9169.7-74.8168.2000107.6A74 L78A74-L76 PolarHBondContact O-N 2.96Å; L76-L78 HydrophobicContact CB-CD1 4.46Å; L76-L78 PolarHBondContact O-N 3.26Å
77H59.6Low52.5Low149 Ų149123 Ų12369%0.6964%0.644SS**  trans-67.673.7-175.9-172.1-93.4000112.8D75 R83D75-H77 PolarHBondContact O-N 3.3Å; H77-R83 PolarHBondContact CD2-NH2 3.05Å; H77-R83 PolarHBondContact NE2-NH2 3.42Å
78L67.3Low53.1Low51 Ų51120 Ų12027%0.26765%0.646SS.*  trans-66.5132.9175.6-82.2135000109.8L76 L82 R83L76-L78 HydrophobicContact CB-CD1 4.46Å; L76-L78 PolarHBondContact O-N 3.26Å; L78-L82 HydrophobicContact CD2-CB 3.77Å; L78-L82 HydrophobicContact CD2-CD1 4.25Å; L78-R83 PolarHBondContact O-NE 3.47Å; L78-R83 PolarHBondContact O-NH2 2.96Å
79P64.5Low54.2Low74 Ų74116.6 Ų116.648%0.48165%0.653SS.*  trans-52.3149173.1-28.534.9000112.4K81 L82 R83P79-K81 PolarHBondContact O-N 2.89Å; P79-L82 PolarHBondContact O-N 3.48Å; P79-R83 PolarHBondContact O-N 2.94Å; P79-R83 VanDerWaalsContact O-N 3.16Å
80P67.6Low54.9Low109 Ų109111.6 Ų111.671%0.70862%0.622SS**Hα-helixtrans-52.4-34-172.4-30.635.9000115.3L82P80-L82 PolarHBondContact O-N 3.1Å
81K58.7Low56Low191 Ų191111.5 Ų111.583%0.8361%0.614SS**Hα-helixtrans-67.5-30.4177.3-65.7-176.1178.4-179.80113.8P79P79-K81 PolarHBondContact O-N 2.89Å
82L61.4Low56.9Low73 Ų73114.1 Ų114.138%0.38261%0.607SS.*Hα-helixtrans-91.3-28.6-178.8-63.4179.9000112.6L78 P79 P80 R84 L85 Y86L78-L82 HydrophobicContact CD2-CB 3.77Å; L78-L82 HydrophobicContact CD2-CD1 4.25Å; P79-L82 PolarHBondContact O-N 3.48Å; P80-L82 PolarHBondContact O-N 3.1Å; L82-R84 PolarHBondContact O-N 3.4Å; L82-L85 PolarHBondContact O-N 3.42Å; L82-Y86 HydrophobicContact CB-CD2 4.41Å; L82-Y86 HydrophobicContact CD2-CD2 4.32Å; L82-Y86 HydrophobicContact CD2-CE2 4.18Å; L82-Y86 PolarHBondContact O-N 3.01Å
83R69.4Low57.7Low121 Ų121110.8 Ų110.846%0.45759%0.59SS.*Hα-helixtrans-57.1-34179.3-161.5174.8-59.1-178.71.2113.1H77 L78 P79 L85 G87H77-R83 PolarHBondContact CD2-NH2 3.05Å; H77-R83 PolarHBondContact NE2-NH2 3.42Å; L78-R83 PolarHBondContact O-NE 3.47Å; L78-R83 PolarHBondContact O-NH2 2.96Å; P79-R83 PolarHBondContact O-N 2.94Å; P79-R83 VanDerWaalsContact O-N 3.16Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-G87 WeakPolarHBondContact O-CA 3.38Å; R83-G87 PolarHBondContact O-N 3.14Å
84R63.4Low58.7Low229 Ų229114 Ų11486%0.86459%0.586SS**Hα-helixtrans-76-13.9176.2-174.5175.5-83.1-153.7-2.6114.2L82L82-R84 PolarHBondContact O-N 3.4Å
85L56.7Low59.1Low75 Ų75115.9 Ų115.939%0.39359%0.585SS.*Hα-helixtrans-103.5-40.4179.2-71.5170.4000112.7L82 R83 Y92L82-L85 PolarHBondContact O-N 3.42Å; R83-L85 VanDerWaalsContact C-N 3.34Å; L85-Y92 HydrophobicContact CD2-CD2 4.42Å
86Y60.1Low59.4Low138 Ų138113.9 Ų113.954%0.54157%0.57SS.*Hα-helixtrans-121.7-0.5-169.6-58.9-78.8000114.4L82L82-Y86 HydrophobicContact CB-CD2 4.41Å; L82-Y86 HydrophobicContact CD2-CD2 4.32Å; L82-Y86 HydrophobicContact CD2-CE2 4.18Å; L82-Y86 PolarHBondContact O-N 3.01Å
87G64.1Low59.4Low7 Ų7109.9 Ų109.97%0.07256%0.558CS.*SBendtrans-77.7170.9171.600000112.7R83 G89 G90R83-G87 WeakPolarHBondContact O-CA 3.38Å; R83-G87 PolarHBondContact O-N 3.14Å; G87-G89 PolarHBondContact O-N 3.37Å; G87-G90 WeakPolarHBondContact O-CA 3.3Å; G87-G90 PolarHBondContact O-N 3.27Å
88P48.9Very low59.7Low145 Ų145106.5 Ų106.594%0.94254%0.542SS*.THydrogen-bonded Turntrans-52.9133.5170.4-25.235.3000111.3G90P88-G90 VanDerWaalsContact C-N 3.32Å
89G58.7Low59.7Low86 Ų86108.6 Ų108.689%0.88755%0.549SS*.THydrogen-bonded Turntrans82.50.6-169.900000115G87 K91G87-G89 PolarHBondContact O-N 3.37Å; G89-K91 PolarHBondContact O-N 3.06Å; G89-K91 VanDerWaalsContact O-N 3.12Å
90G56.7Low59.9Low7 Ų7109.7 Ų109.77%0.07255%0.55CS.*  trans-67.4103.5172.300000112G87 P88 Y92 L93G87-G90 WeakPolarHBondContact O-CA 3.3Å; G87-G90 PolarHBondContact O-N 3.27Å; P88-G90 VanDerWaalsContact C-N 3.32Å; G90-Y92 PolarHBondContact O-N 2.83Å; G90-L93 PolarHBondContact O-N 3.24Å
91K56.4Low60.2Low168 Ų168110.6 Ų110.673%0.7355%0.545SS*.Hα-helixtrans-48.2-29.6-177.248.5-173.8169.4-175.80115.9G89 L93 H94G89-K91 PolarHBondContact O-N 3.06Å; G89-K91 VanDerWaalsContact O-N 3.12Å; K91-L93 VanDerWaalsContact C-N 3.28Å; K91-L93 PolarHBondContact O-N 3.04Å; K91-H94 PolarHBondContact O-N 3.11Å
92Y54Low60.8Low172 Ų172108.2 Ų108.268%0.67553%0.531SS*.Hα-helixtrans-64.8-23.2175.9-98.3-87000115.1L85 G90L85-Y92 HydrophobicContact CD2-CD2 4.42Å; G90-Y92 PolarHBondContact O-N 2.83Å
93L53.7Low61.5Low99 Ų99109.4 Ų109.452%0.51853%0.534SS..Hα-helixtrans-88.9-28.4177.6-68.9178.7000112.9G90 K91 H96 A97G90-L93 PolarHBondContact O-N 3.24Å; K91-L93 VanDerWaalsContact C-N 3.28Å; K91-L93 PolarHBondContact O-N 3.04Å; L93-H96 PolarHBondContact O-N 2.66Å; L93-A97 WeakPolarHBondContact O-CB 3.5Å; L93-A97 PolarHBondContact O-N 3.19Å
94H55.8Low61.9Low134 Ų134111.2 Ų111.262%0.6254%0.541SS*.Hα-helixtrans-72.2-50-176-164.447.7000111.7K91 H96 A97 E98K91-H94 PolarHBondContact O-N 3.11Å; H94-H96 PolarHBondContact O-N 2.67Å; H94-A97 PolarHBondContact O-N 3.24Å; H94-A97 VanDerWaalsContact O-N 3.1Å; H94-E98 PolarHBondContact O-N 3.47Å; H94-E98 VanDerWaalsContact O-N 3.13Å
95D54.4Low62.6Low122 Ų122105.6 Ų105.665%0.65253%0.528SS*.Hα-helixtrans-53.3-39.3171.6-86.2-74.2000112.4K99D95-K99 VanDerWaalsContact O-CB 3.25Å; D95-K99 WeakPolarHBondContact O-CB 3.3Å; D95-K99 PolarHBondContact O-N 3.33Å
96H55.4Low63.5Low104 Ų104107.3 Ų107.348%0.48154%0.537SS..Hα-helixtrans-77.3-29.4-179-157.7-56.8000112.8L93 H94 L100L93-H96 PolarHBondContact O-N 2.66Å; H94-H96 PolarHBondContact O-N 2.67Å; H96-L100 WeakPolarHBondContact ND1-CD1 3.25Å; H96-L100 WeakPolarHBondContact O-CG 3.49Å; H96-L100 PolarHBondContact O-N 3.11Å; H96-L100 VanDerWaalsContact O-N 3.15Å
97A60.5Low64.2Low54 Ų54107 Ų10745%0.44654%0.544SS..Hα-helixtrans-67.7-54.4174.900000110.9L93 H94 K99 L100 E101L93-A97 WeakPolarHBondContact O-CB 3.5Å; L93-A97 PolarHBondContact O-N 3.19Å; H94-A97 PolarHBondContact O-N 3.24Å; H94-A97 VanDerWaalsContact O-N 3.1Å; A97-K99 PolarHBondContact O-N 3.39Å; A97-L100 PolarHBondContact O-N 2.73Å; A97-L100 VanDerWaalsContact O-N 3.12Å; A97-E101 PolarHBondContact O-N 2.85Å
98E64.9Low64.8Low77 Ų77111.1 Ų111.136%0.3656%0.561SS.*Hα-helixtrans-62.4-33.3178.6-59.4-164.3151.300112.3H94 E101 R102H94-E98 PolarHBondContact O-N 3.47Å; H94-E98 VanDerWaalsContact O-N 3.13Å; E98-E101 PolarHBondContact O-N 3.24Å; E98-R102 WeakPolarHBondContact O-CG 3.21Å; E98-R102 PolarHBondContact O-N 2.97Å; E98-R102 IonicContact OE1-NH2 2.75Å; E98-R102 IonicContact OE2-CZ 3.16Å; E98-R102 IonicContact OE2-NH1 2.75Å; E98-R102 PolarHBondContact OE2-NH1 2.79Å; E98-R102 IonicContact OE2-NH2 2.71Å; E98-R102 PolarHBondContact OE2-NH2 2.97Å
99K68.6Low65.9Low96 Ų96110.6 Ų110.642%0.41755%0.546SS..Hα-helixtrans-64.5-42176-177.6179.2173.6-67.70111.8D95 A97 E101 R102 E103D95-K99 VanDerWaalsContact O-CB 3.25Å; D95-K99 WeakPolarHBondContact O-CB 3.3Å; D95-K99 PolarHBondContact O-N 3.33Å; A97-K99 PolarHBondContact O-N 3.39Å; K99-E101 VanDerWaalsContact C-N 3.32Å; K99-R102 PolarHBondContact O-N 3.2Å; K99-E103 IonicContact NZ-OE1 2.76Å; K99-E103 PolarHBondContact NZ-OE1 3.11Å; K99-E103 IonicContact NZ-OE2 4Å; K99-E103 PolarHBondContact NZ-OE2 2.96Å; K99-E103 PolarHBondContact O-N 3.07Å
100L67.4Low66.3Low96 Ų96108.7 Ų108.750%0.50352%0.522SS..Hα-helixtrans-66-36175.5-77.6169.3000111.8H96 A97 E103 R104H96-L100 WeakPolarHBondContact ND1-CD1 3.25Å; H96-L100 WeakPolarHBondContact O-CG 3.49Å; H96-L100 PolarHBondContact O-N 3.11Å; H96-L100 VanDerWaalsContact O-N 3.15Å; A97-L100 PolarHBondContact O-N 2.73Å; A97-L100 VanDerWaalsContact O-N 3.12Å; L100-E103 PolarHBondContact O-N 3.33Å; L100-R104 WeakPolarHBondContact O-CB 3.5Å; L100-R104 PolarHBondContact O-N 3.18Å
101E74.1Confident66.8Low128 Ų128111.7 Ų111.760%0.59854%0.542SS*.Hα-helixtrans-67.6-40.6177.1-168.1157.1-131.100112.2A97 E98 K99 R104 L105A97-E101 PolarHBondContact O-N 2.85Å; E98-E101 PolarHBondContact O-N 3.24Å; K99-E101 VanDerWaalsContact C-N 3.32Å; E101-R104 PolarHBondContact O-N 2.72Å; E101-L105 PolarHBondContact O-N 3.3Å
102R72.8Confident67.2Low141 Ų141109.3 Ų109.353%0.53253%0.533SS..Hα-helixtrans-64.9-42.1171.2-68.5174.7-173.4110.63.2112.6E98 K99 R104 L105 L106E98-R102 WeakPolarHBondContact O-CG 3.21Å; E98-R102 PolarHBondContact O-N 2.97Å; E98-R102 IonicContact OE1-NH2 2.75Å; E98-R102 IonicContact OE2-CZ 3.16Å; E98-R102 IonicContact OE2-NH1 2.75Å; E98-R102 PolarHBondContact OE2-NH1 2.79Å; E98-R102 IonicContact OE2-NH2 2.71Å; E98-R102 PolarHBondContact OE2-NH2 2.97Å; K99-R102 PolarHBondContact O-N 3.2Å; R102-R104 VanDerWaalsContact C-N 3.32Å; R102-L105 PolarHBondContact O-N 2.85Å; R102-L106 WeakPolarHBondContact O-CG 3.5Å; R102-L106 PolarHBondContact O-N 2.71Å; R102-L106 VanDerWaalsContact O-N 3.15Å
103E75.9Confident67.6Low99 Ų99106.2 Ų106.246%0.46354%0.537SS..Hα-helixtrans-66.4-33175.1-78.617715900112.2K99 L100 L107K99-E103 IonicContact NZ-OE1 2.76Å; K99-E103 PolarHBondContact NZ-OE1 3.11Å; K99-E103 IonicContact NZ-OE2 4Å; K99-E103 PolarHBondContact NZ-OE2 2.96Å; K99-E103 PolarHBondContact O-N 3.07Å; L100-E103 PolarHBondContact O-N 3.33Å; E103-L107 PolarHBondContact O-N 3.35Å
104R76.6Confident67.8Low159 Ų159107.8 Ų107.860%0.655%0.545SS*.Hα-helixtrans-65.2-51.2171.9178.2-174.9164.3-179.5-2.9111.7L100 E101 R102 L106 L107 E108L100-R104 WeakPolarHBondContact O-CB 3.5Å; L100-R104 PolarHBondContact O-N 3.18Å; E101-R104 PolarHBondContact O-N 2.72Å; R102-R104 VanDerWaalsContact C-N 3.32Å; R104-L106 VanDerWaalsContact C-N 3.28Å; R104-L106 PolarHBondContact O-N 3.37Å; R104-L107 WeakPolarHBondContact O-CB 3.42Å; R104-L107 PolarHBondContact O-N 2.83Å; R104-E108 IonicContact CZ-OE2 2.78Å; R104-E108 IonicContact NE-OE2 2.71Å; R104-E108 PolarHBondContact NE-OE2 3.24Å; R104-E108 VanDerWaalsContact NE-OE2 3.08Å; R104-E108 IonicContact NH2-OE2 2.9Å; R104-E108 PolarHBondContact NH2-OE2 3.29Å; R104-E108 WeakPolarHBondContact O-CB 3.17Å; R104-E108 PolarHBondContact O-N 2.96Å
105L79.4Confident67.9Low110 Ų110108.4 Ų108.458%0.57655%0.546SS*.Hα-helixtrans-58.7-39.2-179.3-80.3165.5000112.3E101 R102 E108 Q109E101-L105 PolarHBondContact O-N 3.3Å; R102-L105 PolarHBondContact O-N 2.85Å; L105-E108 PolarHBondContact O-N 2.76Å; L105-Q109 WeakPolarHBondContact O-CB 3.39Å; L105-Q109 PolarHBondContact O-N 3.34Å
106L75.1Confident67.9Low112 Ų112109.6 Ų109.659%0.58655%0.551SS**Hα-helixtrans-64.9-37.1173.9-73.3170000112.8R102 R104 A110R102-L106 WeakPolarHBondContact O-CG 3.5Å; R102-L106 PolarHBondContact O-N 2.71Å; R102-L106 VanDerWaalsContact O-N 3.15Å; R104-L106 VanDerWaalsContact C-N 3.28Å; R104-L106 PolarHBondContact O-N 3.37Å; L106-A110 VanDerWaalsContact O-CB 3.32Å; L106-A110 WeakPolarHBondContact O-CB 3.46Å; L106-A110 PolarHBondContact O-N 3.08Å
107L75.1Confident68Low131 Ų131110.1 Ų110.169%0.68657%0.566SS**Hα-helixtrans-71.2-37.1176.3-170.666.3000111.9E103 R104 A110 S111E103-L107 PolarHBondContact O-N 3.35Å; R104-L107 WeakPolarHBondContact O-CB 3.42Å; R104-L107 PolarHBondContact O-N 2.83Å; L107-A110 PolarHBondContact O-N 2.94Å; L107-S111 WeakPolarHBondContact O-CB 3.43Å; L107-S111 PolarHBondContact O-N 3.12Å
108E75.8Confident67.7Low94 Ų94116.4 Ų116.444%0.43959%0.586SS.*Hα-helixtrans-65.5-47176.5-151.5154.2161.200109.8R104 L105 A110 S111 E112R104-E108 IonicContact CZ-OE2 2.78Å; R104-E108 IonicContact NE-OE2 2.71Å; R104-E108 PolarHBondContact NE-OE2 3.24Å; R104-E108 VanDerWaalsContact NE-OE2 3.08Å; R104-E108 IonicContact NH2-OE2 2.9Å; R104-E108 PolarHBondContact NH2-OE2 3.29Å; R104-E108 WeakPolarHBondContact O-CB 3.17Å; R104-E108 PolarHBondContact O-N 2.96Å; L105-E108 PolarHBondContact O-N 2.76Å; E108-A110 PolarHBondContact O-N 2.8Å; E108-S111 WeakPolarHBondContact O-CB 3.46Å; E108-S111 PolarHBondContact O-N 3.16Å; E108-S111 VanDerWaalsContact O-N 3.12Å; E108-S111 PolarHBondContact O-OG 3.43Å; E108-E112 PolarHBondContact O-N 3.39Å
109Q71.7Confident67.2Low134 Ų134116.2 Ų116.263%0.62660%0.598SS**Hα-helixtrans-60.5-40.5172.4-171.617837.500113L105 S111 E112 S113L105-Q109 WeakPolarHBondContact O-CB 3.39Å; L105-Q109 PolarHBondContact O-N 3.34Å; Q109-S111 VanDerWaalsContact C-N 3.33Å; Q109-E112 PolarHBondContact O-N 2.87Å; Q109-S113 PolarHBondContact O-N 2.92Å
110A68.7Low66.3Low45 Ų45117.1 Ų117.137%0.37261%0.613SS.*Hα-helixtrans-65.4-35.8174.500000112.2L106 L107 E108 S113 L114L106-A110 VanDerWaalsContact O-CB 3.32Å; L106-A110 WeakPolarHBondContact O-CB 3.46Å; L106-A110 PolarHBondContact O-N 3.08Å; L107-A110 PolarHBondContact O-N 2.94Å; E108-A110 PolarHBondContact O-N 2.8Å; A110-S113 PolarHBondContact O-N 2.96Å; A110-L114 WeakPolarHBondContact O-CG 3.2Å; A110-L114 PolarHBondContact O-N 2.96Å
111S65.6Low65.8Low71 Ų71121.5 Ų121.550%0.49763%0.631SS.*Hα-helixtrans-68.2-35.3176.679.20000112.7L107 E108 Q109 S113 L114L107-S111 WeakPolarHBondContact O-CB 3.43Å; L107-S111 PolarHBondContact O-N 3.12Å; E108-S111 WeakPolarHBondContact O-CB 3.46Å; E108-S111 PolarHBondContact O-N 3.16Å; E108-S111 VanDerWaalsContact O-N 3.12Å; E108-S111 PolarHBondContact O-OG 3.43Å; Q109-S111 VanDerWaalsContact C-N 3.33Å; S111-S113 VanDerWaalsContact C-N 3.31Å; S111-S113 PolarHBondContact O-N 3.39Å; S111-L114 PolarHBondContact O-N 3.31Å
112E66.1Low64.7Low118 Ų118121.1 Ų121.155%0.55164%0.638SS**Hα-helixtrans-67-32.3173.8-71.7-136.790.300113.2E108 Q109 L114 K115E108-E112 PolarHBondContact O-N 3.39Å; Q109-E112 PolarHBondContact O-N 2.87Å; E112-L114 VanDerWaalsContact C-N 3.27Å; E112-K115 VanDerWaalsContact O-CD 3.25Å; E112-K115 WeakPolarHBondContact O-CD 3.44Å; E112-K115 WeakPolarHBondContact O-CE 3.23Å; E112-K115 VanDerWaalsContact O-CG 3.32Å; E112-K115 WeakPolarHBondContact O-CG 3.41Å; E112-K115 IonicContact OE1-NZ 3.5Å; E112-K115 PolarHBondContact OE1-NZ 3.19Å
113S61.7Low63.8Low107 Ų107119.7 Ų119.775%0.74865%0.649SS**Hα-helixtrans-72.8-20.3174.8-160.90000112.6Q109 A110 S111 K115Q109-S113 PolarHBondContact O-N 2.92Å; A110-S113 PolarHBondContact O-N 2.96Å; S111-S113 VanDerWaalsContact C-N 3.31Å; S111-S113 PolarHBondContact O-N 3.39Å; S113-K115 PolarHBondContact O-N 2.81Å
114L57.6Low62.5Low132 Ų132122 Ų12269%0.69166%0.663SS**THydrogen-bonded Turntrans-96.934.8179.4-70.1169.4000113.1A110 S111 E112 I116A110-L114 WeakPolarHBondContact O-CG 3.2Å; A110-L114 PolarHBondContact O-N 2.96Å; S111-L114 PolarHBondContact O-N 3.31Å; E112-L114 VanDerWaalsContact C-N 3.27Å; L114-I116 VanDerWaalsContact C-N 3.29Å; L114-I116 PolarHBondContact O-N 3.12Å
115K57.9Low61.3Low146 Ų146119.6 Ų119.664%0.63567%0.67SS**  trans-70.182.7171.3-77.2166.6-173.5157.40110.7E112 S113 S117E112-K115 VanDerWaalsContact O-CD 3.25Å; E112-K115 WeakPolarHBondContact O-CD 3.44Å; E112-K115 WeakPolarHBondContact O-CE 3.23Å; E112-K115 VanDerWaalsContact O-CG 3.32Å; E112-K115 WeakPolarHBondContact O-CG 3.41Å; E112-K115 IonicContact OE1-NZ 3.5Å; E112-K115 PolarHBondContact OE1-NZ 3.19Å; S113-K115 PolarHBondContact O-N 2.81Å; K115-S117 PolarHBondContact O-N 3.33Å; K115-S117 VanDerWaalsContact O-N 3.14Å
116I55.2Low60.1Low148 Ų148125.7 Ų125.776%0.75969%0.686SS**  trans-57.1113.3177-64166.7000109.9L114 Q118L114-I116 VanDerWaalsContact C-N 3.29Å; L114-I116 PolarHBondContact O-N 3.12Å; I116-Q118 PolarHBondContact O-N 3.23Å; I116-Q118 VanDerWaalsContact O-N 3.14Å
117S56.9Low58.9Low114 Ų114125.8 Ų125.880%0.79770%0.696SS**  trans-74.5100.517540.20000111.4K115 A119K115-S117 PolarHBondContact O-N 3.33Å; K115-S117 VanDerWaalsContact O-N 3.14Å; S117-A119 PolarHBondContact O-N 2.99Å
118Q55.6Low57.3Low186 Ų186129.9 Ų129.987%0.86971%0.708SS**  trans43.174.1152-164.5173.448.500116.2I116I116-Q118 PolarHBondContact O-N 3.23Å; I116-Q118 VanDerWaalsContact O-N 3.14Å
119A54.2Low55.9Low73 Ų73130.3 Ų130.360%0.60372%0.722SS**  trans-63.4136.6168.800000111.4S117S117-A119 PolarHBondContact O-N 2.99Å
120P49.8Very low54.5Low115 Ų115134.5 Ų134.575%0.74773%0.733SS**  trans-59.6135.7178.8-26.335.3000113.7V122P120-V122 PolarHBondContact O-N 3.26Å; P120-V122 VanDerWaalsContact O-N 3.13Å
121Q56.7Low53.4Low189 Ų189143.5 Ų143.588%0.88376%0.758SS**  trans-75.497177.2-72.1-70.2-50.400111.1
122V50.7Low52.4Low120 Ų120148.7 Ų148.773%0.72777%0.774SS**  trans-90.1109.8171.8-74.70000111.2P120 I124P120-V122 PolarHBondContact O-N 3.26Å; P120-V122 VanDerWaalsContact O-N 3.13Å; V122-I124 PolarHBondContact O-N 3.03Å; V122-I124 VanDerWaalsContact O-N 3.08Å
123S53.2Low51.1Low111 Ų111151 Ų15178%0.77679%0.79SS**  trans-79.385.5-175.246.80000113S125S123-S125 PolarHBondContact O-N 2.74Å
124I49.5Very low50.3Low147 Ų147150.4 Ų150.475%0.75479%0.791SS**  trans-74.490.8175.9-54.4178.5000110.6V122 R126V122-I124 PolarHBondContact O-N 3.03Å; V122-I124 VanDerWaalsContact O-N 3.08Å; I124-R126 PolarHBondContact O-N 3.23Å
125S50Low49.2Very low108 Ų108149.6 Ų149.676%0.75580%0.797SS**  trans-67.199.5176.2-69.60000112.5S123 S127S123-S125 PolarHBondContact O-N 2.74Å; S125-S127 PolarHBondContact O-N 3.13Å
126R55.3Low48.2Very low239 Ų239150.7 Ų150.790%0.90281%0.809SS**  trans-73.358.6175.7-76.4-176.5158.7-163.5-3.7113.7I124I124-R126 PolarHBondContact O-N 3.23Å
127S50.1Low47.3Very low113 Ų113152.9 Ų152.979%0.7982%0.816SS**  trans-141.164.8179.3-67.30000113.8S125S125-S127 PolarHBondContact O-N 3.13Å
128K41.9Very low46.1Very low217 Ų217159.3 Ų159.394%0.94382%0.822SS**  trans-150.884.1155.2-117.5177.1-176.4-176.70110.5
129S46.2Very low45Very low104 Ų104153.8 Ų153.873%0.72782%0.816SS**  trans-134.4104170.7178.80000108
130Y41.8Very low44.1Very low222 Ų222159.9 Ų159.987%0.87183%0.831SS**  174.8155.9126-114.2-86.6000111.8
131R46.6Very low43.2Very low234 Ų234157.8 Ų157.888%0.88383%0.831SS**  trans71.267.4149-155.3-175.7-148.8130.74.5118.5
132E42.8Very low42.2Very low179 Ų179156.9 Ų156.984%0.83683%0.827SS**  trans-137.2173.7138.8-155.5152.7-151.600108
133N38.7Very low41.3Very low167 Ų167159.3 Ų159.389%0.89383%0.83SS**SBendtrans68.347.7-171-52.7-36.7000115.9
134A45.7Very low40.3Very low94 Ų94159.4 Ų159.478%0.77783%0.831SS**  trans-142.647.4171.500000113.4
135S35.2Very low40.4Very low116 Ų116158.4 Ų158.481%0.81183%0.834SS**  trans-153151.6171.3-77.30000111.2
136L36.8Very low39.5Very low168 Ų168156.6 Ų156.688%0.8883%0.833SS**  trans62.388.9166.9-52.5-176.4000118.9
137H35.6Very low38.4Very low195 Ų195154.3 Ų154.390%0.90383%0.832SS**  -155.2109.5112.9-138.4-82.9000111
138R31.9Very low37.5Very low248 Ų248153.8 Ų153.894%0.93684%0.835SS**  trans-160.3117.3171.2176.1-176.5-114.5-104.10.7109.8
139G32.6Very low37.2Very low71 Ų71147.7 Ų147.773%0.73282%0.82SS**  trans90.985.815800000116.2
140E34.9Very low36.9Very low200 Ų200150.2 Ų150.294%0.93582%0.82SS**  trans-125.8139.6140.4-65.9-174.8160.700106.1
141G31.8Very low36.6Very low72 Ų72147.3 Ų147.374%0.74282%0.819SS**  cis-178164.6-8.700000110.2
142E35.9Very low36.1Very low169 Ų169139.7 Ų139.779%0.7981%0.814SS**  trans-152.8152.3165.9-93.7-130.3144.600110.9
143Q31.5Very low35.7Very low171 Ų171135.5 Ų135.580%0.79981%0.81SS**  trans75.1114.6163.1-66.716146.500119.3
144S32.8Very low35.7Very low114 Ų114136.2 Ų136.280%0.79781%0.812SS**  trans-85.8179.4157.4-154.60000108.8
145P50.4Low35.1Very low125 Ų125135.1 Ų135.181%0.81281%0.811SS**  cis-132.2-177.8-042.8-25.9000115.3
146G30.7Very low35.1Very low71 Ų71136.9 Ų136.973%0.73281%0.81SS**  trans16985.116800000118.3
147E31.7Very low35.5Very low190 Ų190135.3 Ų135.389%0.88881%0.807SS**  trans25.8143.9143.8-44.4-165.2155.600124.4
148A32.4Very low35.4Very low103 Ų103133.7 Ų133.785%0.85180%0.8SS**  trans67.1154.5153.700000119.8
149S35.2Very low35.7Very low88 Ų88129.8 Ų129.862%0.61580%0.797SS**  cis-165.5172.7-30-162.50000110
150E40.5Very low35.9Very low157 Ų157129.6 Ų129.673%0.73480%0.795SS**  trans64.5137.9156.2-78.4130.1-110.700123.7
151D35.2Very low36.3Very low161 Ų161126.2 Ų126.286%0.86179%0.79SS**  trans59.5148.4145.9-65.6-9.2000124.3
152G35.8Very low36.3Very low74 Ų74131.4 Ų131.476%0.76380%0.8SS**  trans170.4-2.3154.300000125.5
153A35Very low36.3Very low91 Ų91131.1 Ų131.175%0.75280%0.796SS**  trans48.1115.6157.800000123.4
154L38.7Very low36Very low182 Ų182132.1 Ų132.195%0.95380%0.798SS**  trans81.3147.2133.4-59.2172.6000123.7
155G33.6Very low36.3Very low72 Ų72131.9 Ų131.974%0.74279%0.785SS**  trans12262.3164.100000115.9
156L34.9Very low35.9Very low153 Ų153134.4 Ų134.480%0.80179%0.785SS**  58.490.277.5-172.663.9000116.7
157V43.8Very low36Very low135 Ų135138.7 Ų138.782%0.81879%0.791SS**  -171.4118.4128.6-91.90000105.8
158E35.1Very low36.1Very low160 Ų160132.6 Ų132.675%0.74878%0.78SS**  75.986.756.2-159.8-174.3170.400114.3
159L37Very low36.2Very low167 Ų167131 Ų13187%0.87477%0.773SS**  -169.4156.5108.2-94.7177.3000110.9
160G36.1Very low36.4Very low66 Ų66134.7 Ų134.768%0.6878%0.778SS**  trans-100.3-178.8-165.100000117.4
161P44.5Very low36.1Very low130 Ų130134.2 Ų134.284%0.84478%0.776SS**  trans-88.7169.9-17337-37.3000114.2
162L30.8Very low36.2Very low180 Ų180135.4 Ų135.494%0.94278%0.777SS**  trans-106130.9171-64177.4000111.5
163K36.3Very low36.3Very low164 Ų164139.9 Ų139.971%0.71378%0.777SS**  trans-148.1135170-167.8-149.8179.6-1500109.8E165K163-E165 WeakPolarHBondContact CE-OE1 3.43Å; K163-E165 IonicContact NZ-OE1 2.68Å; K163-E165 PolarHBondContact NZ-OE1 3Å; K163-E165 IonicContact NZ-OE2 2.84Å; K163-E165 PolarHBondContact NZ-OE2 3.3Å
164F25.9Very low36.1Very low192 Ų192138.4 Ų138.484%0.84277%0.771SS**  trans-158.1123.4167.4-145.8-120.8000104.2
165E38.6Very low35.6Very low109 Ų109134.5 Ų134.551%0.50976%0.759SS.*  57.2152.452.6-36.4-68.577.500111.9K163K163-E165 WeakPolarHBondContact CE-OE1 3.43Å; K163-E165 IonicContact NZ-OE1 2.68Å; K163-E165 PolarHBondContact NZ-OE1 3Å; K163-E165 IonicContact NZ-OE2 2.84Å; K163-E165 PolarHBondContact NZ-OE2 3.3Å
166E41.3Very low35.3Very low177 Ų177137 Ų13783%0.82776%0.764SS**  cis-166.1148.1-38.5174.6173.4132.400108.1
167D33.4Very low35.4Very low161 Ų161134.1 Ų134.186%0.86176%0.762SS**  trans-163.8151.9167.6-175.975.6000109.5
168G33.2Very low34.7Very low63 Ų63135 Ų13565%0.64976%0.762SS**  cis-172.8-58.7-3.200000115.3
169G35.5Very low34.7Very low69 Ų69131.5 Ų131.571%0.71176%0.761SS**  trans167.8-173.3-174.900000114.6
170K38.6Very low34.6Very low166 Ų166128 Ų12872%0.72276%0.756SS**  cis173.5149.7-4.3-106.7-173.8170.2-76.30107.1
171E35.8Very low34.4Very low147 Ų147129.1 Ų129.169%0.68776%0.759SS**  cis-154-160-5.8-46.9-142.475.400110.5
172E37.5Very low34Very low186 Ų186130.8 Ų130.887%0.86976%0.76SS**  trans75.5147.7162.1-70.7-150.7155.200121.9
173E36Very low34.5Very low167 Ų167127.6 Ų127.678%0.7875%0.752SS**  cis-168.2162.7-31.5-143.1-86.2101.600109.5
174G30.9Very low35.5Very low60 Ų60125 Ų12562%0.61975%0.752SS**  trans90.4149.5159.800000119.1
175S29.1Very low35.9Very low100 Ų100123.7 Ų123.770%0.69975%0.746SS**  172.8121.6-69.7179.40000111
176C28.2Very low35.8Very low126 Ų126124.2 Ų124.285%0.85175%0.752SS**  trans53.6170.9167.582.70000117.9
177A35.2Very low36Very low92 Ų92123.6 Ų123.676%0.7675%0.75SS**  cis-165170.2-7.700000106.8
178D30.2Very low36.3Very low153 Ų153124.3 Ų124.382%0.81875%0.748SS**  cis-169.6175.5-15.2176.2-137.5000108
179A34.7Very low36.7Very low87 Ų87131 Ų13172%0.71975%0.753SS**  trans71.5147164.600000118
180A34.4Very low36.9Very low93 Ų93134.9 Ų134.977%0.76975%0.753SS**  cis-156.4162.71.500000112.3
181A33.4Very low36.9Very low89 Ų89134.6 Ų134.674%0.73675%0.754SS**  trans31.7138.3147.700000121.1
182L35.9Very low36.8Very low166 Ų166131.7 Ų131.787%0.86975%0.75SS**  cis-152.3154.744.3-75.3160.5000113.4
183S40.8Very low37.3Very low113 Ų113130.8 Ų130.879%0.7975%0.75SS**  trans-120.6175.9161.5-66.10000108.1
184P56.1Low37.3Very low108 Ų108130.5 Ų130.570%0.70175%0.754SS**  cis-119.3-163.94.840.9-20.7000111
185K34.8Very low37.9Very low166 Ų166132.1 Ų132.172%0.72276%0.762SS**  cis-168.9130.246-157.5170.2-177.4-173.50114.5
186D37.7Very low38.3Very low120 Ų120131.1 Ų131.164%0.64277%0.767SS**  trans37.4157.8137.1-32.9-20000119.9
187E45.3Very low39.1Very low164 Ų164133.1 Ų133.177%0.76677%0.769SS**  cis-146.9143.521.2-64.4170.9163.900111.7
188E39.6Very low39.5Very low176 Ų176132.1 Ų132.182%0.82277%0.768SS**  trans54.8148.2136.4-67.3-166.9-154.800123.3
189R40.4Very low40.1Very low202 Ų202131.9 Ų131.976%0.76277%0.767SS**  cis-173.6141.6-5.7161.5175.4179.8-87.5-6.1112.2
190E40.3Very low40.7Very low151 Ų151132.6 Ų132.671%0.70676%0.762SS**  trans15.1152144.1-49.8-50.7171.100122.5
191E37.9Very low41.2Very low161 Ų161138.3 Ų138.375%0.75276%0.764SS**  cis-170.9163.2-5.2161.5177.269.400110.6
192S34.7Very low41.6Very low86 Ų86140.5 Ų140.560%0.60176%0.763SS**  trans35.9126.6157.5-65.40000124.4
193L47.4Very low42.1Very low167 Ų167135.7 Ų135.787%0.87475%0.754SS**  23.5133115.6-51.7171.8000119.2
194N36.6Very low42.5Very low161 Ų161139 Ų13986%0.86176%0.757SS**  trans-147.2147.5137.4-158.56.6000111.9
195A44.2Very low42.1Very low94 Ų94142 Ų14278%0.77777%0.767SS**  trans-123.1131.9169.300000108.2
196G37.4Very low43Very low79 Ų79139.2 Ų139.281%0.81477%0.768SS**  trans-129.5108.3-174.400000111.7
197D43.8Very low43.3Very low167 Ų167138.8 Ų138.889%0.89377%0.77SS**  trans-83.5159.7164-174.6-151.9000110.2
198G43.8Very low43.5Very low72 Ų72137.5 Ų137.574%0.74278%0.778SS**  trans-174.2123.3-176.500000113.9
199D43.6Very low43.7Very low147 Ų147136.4 Ų136.479%0.78678%0.777SS**  trans-123169.8-164.6-173.1-151.5000113.4
200V46.8Very low44.1Very low102 Ų102133 Ų13362%0.61878%0.784SS**  trans73.8135.9164.1-126.80000121.5
201R44.6Very low44.4Very low213 Ų213130.6 Ų130.680%0.80479%0.79SS**  trans80144.7159.1-57.8-170.6179.6-80.4-8.2117.2
202D41.3Very low44.9Very low136 Ų136127.1 Ų127.173%0.72780%0.797SS**  cis-143.3174.4-0.2-132.8-131.2000107
203G47.6Very low45.1Very low65 Ų65128.2 Ų128.267%0.6780%0.804SS**  cis147.41.37.500000115.3
204E48.9Very low45.4Very low182 Ų182128.5 Ų128.585%0.8581%0.807SS**  trans-108.1116.3-17462.2179165.100116
205D48.3Very low45.6Very low172 Ų172124.3 Ų124.392%0.9279%0.79SS**  trans-74.8112.4162.3-98.8-85.5000110.3
206S52.1Low46Very low106 Ų106128.7 Ų128.774%0.74180%0.795SS**  trans-109.677176.4-153.40000112.5
207V45.2Very low46.4Very low111 Ų111131.4 Ų131.467%0.67379%0.786SS**  trans20.2108.3158.6-71.30000119.3L209V207-L209 HydrophobicContact CB-CG 4.43Å; V207-L209 PolarHBondContact O-N 3.21Å
208C49.3Very low46.7Very low138 Ų138126.6 Ų126.693%0.93278%0.776SS**  trans-67.396.4161.9-66.60000111.6
209L43.2Very low47Very low153 Ų153129.5 Ų129.580%0.80177%0.772SS**  trans-120.8137.3170.8-70.1176.6000111.8V207V207-L209 HydrophobicContact CB-CG 4.43Å; V207-L209 PolarHBondContact O-N 3.21Å
210S50.4Low47.5Very low130 Ų130129.3 Ų129.391%0.90977%0.77SS**  trans-94.1128.8-173.6-64.50000113
211A44.8Very low48Very low101 Ų101133.5 Ų133.584%0.83578%0.78SS**  trans-156.3148.2149.300000109.2
212G49.5Very low48.7Very low87 Ų87131.5 Ų131.590%0.89777%0.772SS**  trans-75.4134.7-178.800000112.7
213S39.5Very low49.8Very low109 Ų109134.3 Ų134.376%0.76278%0.778SS**  trans-127.5121.4162.2-172.10000108.5S215S213-S215 VanDerWaalsContact C-N 3.34Å; S213-S215 PolarHBondContact O-N 2.97Å
214D51.7Low51Low174 Ų174138.1 Ų138.193%0.9378%0.778SS**  trans-75.786.2176.7-173.2-133.1000109
215S42.8Very low52.6Low73 Ų73139.3 Ų139.351%0.5178%0.775SS.*  trans-102132.5-174.9-166.50000112.1S213 E217S213-S215 VanDerWaalsContact C-N 3.34Å; S213-S215 PolarHBondContact O-N 2.97Å; S215-E217 PolarHBondContact O-N 2.77Å
216E51.3Low54.2Low186 Ų186142.4 Ų142.487%0.86977%0.774SS**G310 helixtrans-68.910.1-167.859-167.1103.300116.5G218E216-G218 PolarHBondContact O-N 2.94Å
217E46.1Very low55.9Low136 Ų136146.6 Ų146.664%0.63678%0.775SS**G310 helixtrans-65.8-12.8-172-58.8-164.9119.200115.1S215 M219 L220S215-E217 PolarHBondContact O-N 2.77Å; E217-M219 PolarHBondContact O-N 3.41Å; E217-L220 PolarHBondContact O-N 2.78Å
218G50.2Low58.1Low66 Ų66151.5 Ų151.568%0.6878%0.781SS**G310 helixtrans-54.6-27178.500000114.2E216E216-G218 PolarHBondContact O-N 2.94Å
219M49.7Very low60.2Low133 Ų133147.3 Ų147.366%0.65575%0.751SS**G310 helixtrans-85.8-9.7-174.7-141.2-170.4-65.200115.2E217 R222E217-M219 PolarHBondContact O-N 3.41Å; M219-R222 PolarHBondContact SD-NH2 3.1Å
220L54.1Low62.7Low142 Ų142145.9 Ų145.974%0.74375%0.749SS**SBendtrans-83.6-18.2-176.9-58.9-174.3000113.6E217 R222E217-L220 PolarHBondContact O-N 2.78Å; L220-R222 PolarHBondContact O-N 3.37Å
221K56.7Low65Low191 Ų191142.5 Ų142.583%0.8372%0.718SS**  trans-70.425.3176.3-69168.9-179.3165.10113.6K223K221-K223 PolarHBondContact O-N 3.2Å
222R59.8Low67.5Low170 Ų170141.3 Ų141.364%0.64270%0.7SS**SBendtrans-7755.9-176.3-158.4-171.6-65.6103.2-6.1113M219 L220M219-R222 PolarHBondContact SD-NH2 3.1Å; L220-R222 PolarHBondContact O-N 3.37Å
223K64.3Low69.8Low196 Ų196141.1 Ų141.185%0.85269%0.686SS**  trans55.969.4160.5-150.6139.6-172.8165.10114.5K221 R225K221-K223 PolarHBondContact O-N 3.2Å; K223-R225 PolarHBondContact O-N 3.47Å; K223-R225 VanDerWaalsContact O-N 3.16Å
224Q73.2Confident72.6Confident145 Ų145141.9 Ų141.968%0.67867%0.673SS**  trans-45.8120.4178.6179.962.9-19.200111.5R226 Y227Q224-R226 PolarHBondContact O-N 3.39Å; Q224-Y227 PolarHBondContact NE2-OH 3.14Å; Q224-Y227 VanDerWaalsContact NE2-OH 3.11Å
225R81.9Confident74.9Confident206 Ų206134.7 Ų134.778%0.77763%0.634SS**PPolyproline II helixtrans-72.1123.1-175.9-175.2-176.9-177.3-160.65108.5K223 Y227K223-R225 PolarHBondContact O-N 3.47Å; K223-R225 VanDerWaalsContact O-N 3.16Å; R225-Y227 PolarHBondContact O-N 2.9Å
226R83.2Confident77.5Confident237 Ų237134.6 Ų134.689%0.89463%0.627SS**PPolyproline II helixtrans-47.5127.7177.4-67.8-176.2-179.7178.4-1.1110.3Q224 R228Q224-R226 PolarHBondContact O-N 3.39Å; R226-R228 PolarHBondContact O-N 3.33Å
227Y87.1Confident79.8Confident195 Ų195130.4 Ų130.477%0.76561%0.607SS**PPolyproline II helixtrans-54.3130179-65.3-87000110.6Q224 R225Q224-Y227 PolarHBondContact NE2-OH 3.14Å; Q224-Y227 VanDerWaalsContact NE2-OH 3.11Å; R225-Y227 PolarHBondContact O-N 2.9Å
228R92.1Very high82.3Confident214 Ų214124.9 Ų124.981%0.80858%0.581SS**PPolyproline II helixtrans-100119.3-179.6-179.8-179.3-178.8174.13108.8R226 T230R226-R228 PolarHBondContact O-N 3.33Å; R228-T230 PolarHBondContact O-N 3.12Å
229T92.8Very high84.6Confident49 Ų49121.7 Ų121.730%0.30155%0.549SS..PPolyproline II helixtrans-57.9125.3170.1-50.40000110.3F231 L263 R267T229-F231 HydrophobicContact CG2-CD1 4.46Å; T229-F231 HydrophobicContact CG2-CE1 4.13Å; T229-F231 HydrophobicContact CG2-CZ 4.4Å; T229-L263 HydrophobicContact CG2-CD2 4.31Å; T229-R267 HydrophobicContact CG2-CG 4.37Å; T229-R267 WeakPolarHBondContact OG1-CD 3.49Å; T229-R267 PolarHBondContact OG1-NH1 3.09Å
230T95.6Very high86.9Confident123 Ų123117.2 Ų117.276%0.75553%0.526SS*.PPolyproline II helixtrans-100.3134.7166.645.20000108.2R228R228-T230 PolarHBondContact O-N 3.12Å
231F97.9Very high89Confident59 Ų59115.9 Ų115.926%0.25951%0.511SS..PPolyproline II helixtrans-95.6144.4177.7-56.8-77.4000110.3T229 Q235 L236 L263 R267 W271T229-F231 HydrophobicContact CG2-CD1 4.46Å; T229-F231 HydrophobicContact CG2-CE1 4.13Å; T229-F231 HydrophobicContact CG2-CZ 4.4Å; F231-Q235 HydrophobicContact CB-CB 4.28Å; F231-L236 HydrophobicContact CB-CD1 4.47Å; F231-L236 HydrophobicContact CB-CD2 3.72Å; F231-L236 HydrophobicContact CB-CG 3.82Å; F231-L236 HydrophobicContact CD2-CD2 4.18Å; F231-L236 HydrophobicContact CG-CD2 4.16Å; F231-L263 HydrophobicContact CD1-CD1 3.88Å; F231-L263 HydrophobicContact CD1-CD2 3.93Å; F231-L263 HydrophobicContact CE1-CD1 3.77Å; F231-L263 HydrophobicContact CE1-CD2 3.81Å; F231-L263 HydrophobicContact CE1-CG 4.46Å; F231-R267 HydrophobicContact CE1-CB 4.31Å; F231-R267 HydrophobicContact CZ-CB 4.41Å; F231-W271 AromaticContact CD2-CD1 3.98Å; F231-W271 AromaticContact CE2-CD1 3.74Å; F231-W271 HydrophobicContact CZ-CB 4.33Å
232T98.5Very high91Very high76 Ų76107.5 Ų107.547%0.46648%0.478SS..PPolyproline II helixtrans-73.9167.417170.60000110.9Q235 L236T232-Q235 PolarHBondContact O-N 3.31Å; T232-Q235 VanDerWaalsContact OG1-CG 3.29Å; T232-Q235 WeakPolarHBondContact OG1-CG 3.47Å; T232-Q235 PolarHBondContact OG1-N 3.4Å; T232-L236 WeakPolarHBondContact O-CG 3.22Å; T232-L236 PolarHBondContact O-N 3.18Å; T232-L236 VanDerWaalsContact O-N 3.09Å
233S98.2Very high92.8Very high84 Ų8499.7 Ų99.759%0.58745%0.448SS*.Hα-helixtrans-59.8-50.1176.2-157.10000111.1Q235 L236 E237S233-Q235 PolarHBondContact O-N 3.21Å; S233-L236 CarbonylContact O-C 3.59Å; S233-L236 WeakPolarHBondContact O-CA 3.39Å; S233-L236 WeakPolarHBondContact O-CB 3.41Å; S233-L236 PolarHBondContact O-N 3.36Å; S233-E237 VanDerWaalsContact CB-OE1 3.23Å; S233-E237 WeakPolarHBondContact CB-OE1 3.1Å; S233-E237 WeakPolarHBondContact O-CG 3.23Å; S233-E237 PolarHBondContact O-N 2.98Å; S233-E237 PolarHBondContact OG-OE1 2.78Å
234Y98.3Very high94.4Very high124 Ų12497.1 Ų97.149%0.48644%0.439SS..Hα-helixtrans-52.2-47.9175.7179.2-109.6000113.1L236 E237 E238 L261Y234-L236 VanDerWaalsContact C-N 3.31Å; Y234-L236 PolarHBondContact O-N 2.91Å; Y234-E237 PolarHBondContact O-N 3.29Å; Y234-E238 HydrophobicContact CD2-CG 4.22Å; Y234-E238 HydrophobicContact CE1-CG 4.05Å; Y234-E238 HydrophobicContact CE2-CG 3.7Å; Y234-E238 WeakPolarHBondContact CE2-OE1 3.49Å; Y234-E238 WeakPolarHBondContact O-CG 3.38Å; Y234-E238 PolarHBondContact O-N 3.44Å; Y234-L261 HydrophobicContact CD1-CD2 4.19Å; Y234-L261 HydrophobicContact CE1-CD2 3.83Å
235Q98.5Very high95.6Very high24 Ų2499 Ų9911%0.11245%0.446CS..Hα-helixtrans-59.6-40.8175.8-72.2171.9-19.200112.1F231 T232 S233 L239 L261F231-Q235 HydrophobicContact CB-CB 4.28Å; T232-Q235 PolarHBondContact O-N 3.31Å; T232-Q235 VanDerWaalsContact OG1-CG 3.29Å; T232-Q235 WeakPolarHBondContact OG1-CG 3.47Å; T232-Q235 PolarHBondContact OG1-N 3.4Å; S233-Q235 PolarHBondContact O-N 3.21Å; Q235-L239 VanDerWaalsContact O-CB 3.28Å; Q235-L239 WeakPolarHBondContact O-CB 3.32Å; Q235-L239 VanDerWaalsContact O-CD1 3.28Å; Q235-L239 WeakPolarHBondContact O-CD1 3.47Å; Q235-L239 WeakPolarHBondContact O-CG 3.47Å; Q235-L239 PolarHBondContact O-N 3.45Å; Q235-L239 VanDerWaalsContact O-N 3.12Å; Q235-L261 HydrophobicContact CG-CB 4.19Å; Q235-L261 HydrophobicContact CG-CD2 4.2Å; Q235-L261 PolarHBondContact NE2-O 3.41Å
236L98.6Very high96.4Very high71 Ų7191.9 Ų91.937%0.37243%0.425SS..Hα-helixtrans-68.7-35.2177.2-67.4174.3000112.6F231 T232 S233 Y234 E240F231-L236 HydrophobicContact CB-CD1 4.47Å; F231-L236 HydrophobicContact CB-CD2 3.72Å; F231-L236 HydrophobicContact CB-CG 3.82Å; F231-L236 HydrophobicContact CD2-CD2 4.18Å; F231-L236 HydrophobicContact CG-CD2 4.16Å; T232-L236 WeakPolarHBondContact O-CG 3.22Å; T232-L236 PolarHBondContact O-N 3.18Å; T232-L236 VanDerWaalsContact O-N 3.09Å; S233-L236 CarbonylContact O-C 3.59Å; S233-L236 WeakPolarHBondContact O-CA 3.39Å; S233-L236 WeakPolarHBondContact O-CB 3.41Å; S233-L236 PolarHBondContact O-N 3.36Å; Y234-L236 VanDerWaalsContact C-N 3.31Å; Y234-L236 PolarHBondContact O-N 2.91Å; L236-E240 VanDerWaalsContact O-CB 3.28Å; L236-E240 WeakPolarHBondContact O-CB 3.32Å; L236-E240 PolarHBondContact O-N 2.98Å
237E98.5Very high97.1Very high98 Ų9883.3 Ų83.346%0.45840%0.395SS..Hα-helixtrans-70.3-46179.5-70.9158.1-131.900111.9S233 Y234 E240 R241S233-E237 VanDerWaalsContact CB-OE1 3.23Å; S233-E237 WeakPolarHBondContact CB-OE1 3.1Å; S233-E237 WeakPolarHBondContact O-CG 3.23Å; S233-E237 PolarHBondContact O-N 2.98Å; S233-E237 PolarHBondContact OG-OE1 2.78Å; Y234-E237 PolarHBondContact O-N 3.29Å; E237-E240 PolarHBondContact O-N 3.03Å; E237-R241 WeakPolarHBondContact O-CB 3.35Å; E237-R241 PolarHBondContact O-N 2.85Å
238E98.5Very high97.6Very high19 Ų1981.2 Ų81.29%0.08939%0.387CS..Hα-helixtrans-63.1-44.3174-66.9-62.2133.300111.6Y234 E240 R241 A242 R260 L261Y234-E238 HydrophobicContact CD2-CG 4.22Å; Y234-E238 HydrophobicContact CE1-CG 4.05Å; Y234-E238 HydrophobicContact CE2-CG 3.7Å; Y234-E238 WeakPolarHBondContact CE2-OE1 3.49Å; Y234-E238 WeakPolarHBondContact O-CG 3.38Å; Y234-E238 PolarHBondContact O-N 3.44Å; E238-E240 VanDerWaalsContact C-N 3.34Å; E238-E240 PolarHBondContact O-N 2.71Å; E238-R241 PolarHBondContact O-N 2.75Å; E238-R241 IonicContact OE1-CZ 2.66Å; E238-R241 IonicContact OE1-NH1 2.71Å; E238-R241 PolarHBondContact OE1-NH1 2.96Å; E238-R241 IonicContact OE1-NH2 3.18Å; E238-R241 PolarHBondContact OE1-NH2 3.33Å; E238-R241 IonicContact OE2-CZ 3.63Å; E238-R241 IonicContact OE2-NH1 3.3Å; E238-R241 PolarHBondContact OE2-NH1 3.15Å; E238-A242 WeakPolarHBondContact O-CB 3.35Å; E238-A242 PolarHBondContact O-N 3.31Å; E238-R260 IonicContact OE2-NH2 2.72Å; E238-L261 HydrophobicContact CB-CD1 4.16Å; E238-L261 HydrophobicContact CB-CD2 3.87Å; E238-L261 HydrophobicContact CG-CD2 3.91Å
239L98.6Very high97.9Very high0 Ų071.4 Ų71.40%035%0.351CS..Hα-helixtrans-63.2-37176.2-72169.3000112.3Q235 F243 L261 L263 V268 W271 F272Q235-L239 VanDerWaalsContact O-CB 3.28Å; Q235-L239 WeakPolarHBondContact O-CB 3.32Å; Q235-L239 VanDerWaalsContact O-CD1 3.28Å; Q235-L239 WeakPolarHBondContact O-CD1 3.47Å; Q235-L239 WeakPolarHBondContact O-CG 3.47Å; Q235-L239 PolarHBondContact O-N 3.45Å; Q235-L239 VanDerWaalsContact O-N 3.12Å; L239-F243 WeakPolarHBondContact O-CB 3.39Å; L239-F243 PolarHBondContact O-N 2.99Å; L239-L261 HydrophobicContact CD1-CD1 4.39Å; L239-L261 HydrophobicContact CD2-CD1 4.04Å; L239-L261 HydrophobicContact CG-CD1 3.79Å; L239-L263 HydrophobicContact CD1-CD1 4.3Å; L239-V268 HydrophobicContact CD2-CG1 3.89Å; L239-V268 HydrophobicContact CD2-CG2 4.38Å; L239-W271 HydrophobicContact CB-CD2 3.98Å; L239-W271 HydrophobicContact CB-CE3 3.98Å; L239-W271 HydrophobicContact CB-CH2 3.81Å; L239-W271 HydrophobicContact CB-CZ2 3.76Å; L239-W271 HydrophobicContact CB-CZ3 3.91Å; L239-W271 HydrophobicContact CD1-CB 4.43Å; L239-W271 HydrophobicContact CD1-CD2 3.95Å; L239-W271 HydrophobicContact CD1-CG 3.85Å; L239-W271 HydrophobicContact CG-CD2 4.43Å; L239-W271 WeakPolarHBondContact O-CZ3 3.38Å; L239-F272 HydrophobicContact CD2-CD2 4.45Å; L239-F272 HydrophobicContact CD2-CE2 3.84Å
240E98.5Very high98.1Very high39 Ų3973.5 Ų73.518%0.18236%0.36CS..Hα-helixtrans-71.9-38.9174.9-165.768.5-135.800112.1L236 E237 E238 A242 F243 Q244 W271 R275L236-E240 VanDerWaalsContact O-CB 3.28Å; L236-E240 WeakPolarHBondContact O-CB 3.32Å; L236-E240 PolarHBondContact O-N 2.98Å; E237-E240 PolarHBondContact O-N 3.03Å; E238-E240 VanDerWaalsContact C-N 3.34Å; E238-E240 PolarHBondContact O-N 2.71Å; E240-A242 VanDerWaalsContact C-N 3.3Å; E240-A242 PolarHBondContact O-N 3.18Å; E240-F243 WeakPolarHBondContact O-CB 3.44Å; E240-F243 PolarHBondContact O-N 2.86Å; E240-F243 VanDerWaalsContact O-N 3.14Å; E240-Q244 VanDerWaalsContact O-CG 3.32Å; E240-Q244 WeakPolarHBondContact O-CG 3.46Å; E240-Q244 PolarHBondContact O-N 3.5Å; E240-W271 HydrophobicContact CB-CH2 4.44Å; E240-R275 VanDerWaalsContact CD-NH2 3.28Å; E240-R275 IonicContact OE1-CZ 3.66Å; E240-R275 IonicContact OE1-NE 3.99Å; E240-R275 PolarHBondContact OE1-NE 3.22Å; E240-R275 IonicContact OE1-NH1 3.08Å; E240-R275 IonicContact OE1-NH2 2.78Å; E240-R275 PolarHBondContact OE1-NH2 3.05Å; E240-R275 WeakPolarHBondContact OE2-CD 3.34Å; E240-R275 IonicContact OE2-CZ 2.71Å; E240-R275 IonicContact OE2-NE 3.58Å; E240-R275 PolarHBondContact OE2-NE 2.91Å; E240-R275 IonicContact OE2-NH1 3.34Å; E240-R275 PolarHBondContact OE2-NH1 3.05Å; E240-R275 IonicContact OE2-NH2 3.75Å; E240-R275 PolarHBondContact OE2-NH2 2.96Å
241R98.4Very high98.3Very high113 Ų11370.5 Ų70.543%0.42634%0.342SS..Hα-helixtrans-64.8-36.2174.7-156.1-171.1-51.61216.6111.5E237 E238 K245E237-R241 WeakPolarHBondContact O-CB 3.35Å; E237-R241 PolarHBondContact O-N 2.85Å; E238-R241 PolarHBondContact O-N 2.75Å; E238-R241 IonicContact OE1-CZ 2.66Å; E238-R241 IonicContact OE1-NH1 2.71Å; E238-R241 PolarHBondContact OE1-NH1 2.96Å; E238-R241 IonicContact OE1-NH2 3.18Å; E238-R241 PolarHBondContact OE1-NH2 3.33Å; E238-R241 IonicContact OE2-CZ 3.63Å; E238-R241 IonicContact OE2-NH1 3.3Å; E238-R241 PolarHBondContact OE2-NH1 3.15Å; R241-K245 PolarHBondContact O-N 3.15Å
242A98.2Very high98.3Very high15 Ų1575 Ų7512%0.12436%0.361CS..Hα-helixtrans-67.2-40.5170.300000112.2E238 E240 Q244 K245 T246 L257 F272E238-A242 WeakPolarHBondContact O-CB 3.35Å; E238-A242 PolarHBondContact O-N 3.31Å; E240-A242 VanDerWaalsContact C-N 3.3Å; E240-A242 PolarHBondContact O-N 3.18Å; A242-Q244 VanDerWaalsContact C-N 3.29Å; A242-Q244 PolarHBondContact O-N 3.12Å; A242-K245 WeakPolarHBondContact O-CB 3.49Å; A242-K245 PolarHBondContact O-N 3.01Å; A242-K245 VanDerWaalsContact O-N 3.11Å; A242-T246 PolarHBondContact O-N 3.28Å; A242-L257 HydrophobicContact CB-CD1 3.61Å; A242-L257 HydrophobicContact CB-CD2 4.08Å; A242-L257 HydrophobicContact CB-CG 4.49Å; A242-F272 HydrophobicContact CB-CZ 3.96Å
243F98.4Very high98.3Very high6 Ų674 Ų743%0.02636%0.355CS..Hα-helixtrans-61.8-34.7175.8-171.2-100.9000113.1L239 E240 K245 T246 H247 W271 F272 R275 R276 W279L239-F243 WeakPolarHBondContact O-CB 3.39Å; L239-F243 PolarHBondContact O-N 2.99Å; E240-F243 WeakPolarHBondContact O-CB 3.44Å; E240-F243 PolarHBondContact O-N 2.86Å; E240-F243 VanDerWaalsContact O-N 3.14Å; F243-K245 VanDerWaalsContact C-N 3.33Å; F243-T246 WeakPolarHBondContact CA-O 3.28Å; F243-T246 CarbonylContact O-C 3.25Å; F243-T246 VanDerWaalsContact O-C 3.25Å; F243-T246 PolarHBondContact O-N 3.03Å; F243-H247 AromaticContact CD1-CD2 3.7Å; F243-H247 AromaticContact CE1-CD2 3.23Å; F243-H247 WeakPolarHBondContact CE1-CD2 3.09Å; F243-H247 AromaticContact CE1-NE2 3.5Å; F243-H247 WeakPolarHBondContact CE1-NE2 3.29Å; F243-H247 HydrophobicContact CE2-CB 3.93Å; F243-H247 AromaticContact CE2-CD2 3.62Å; F243-H247 HydrophobicContact CZ-CB 4.16Å; F243-H247 AromaticContact CZ-CD2 3.18Å; F243-H247 WeakPolarHBondContact CZ-CD2 3.28Å; F243-H247 AromaticContact CZ-CG 3.76Å; F243-H247 AromaticContact CZ-NE2 3.78Å; F243-H247 PolarHBondContact O-CD2 3.13Å; F243-H247 VanDerWaalsContact O-CD2 3.31Å; F243-W271 HydrophobicContact CB-CH2 4.28Å; F243-W271 HydrophobicContact CB-CZ3 4.11Å; F243-W271 HydrophobicContact CD2-CZ3 4.39Å; F243-W271 HydrophobicContact CG-CZ3 4.45Å; F243-F272 HydrophobicContact CB-CE1 3.96Å; F243-F272 HydrophobicContact CB-CZ 4.36Å; F243-F272 AromaticContact CD2-CD1 3.75Å; F243-F272 HydrophobicContact CD2-CD1 3.75Å; F243-F272 AromaticContact CD2-CE1 3.71Å; F243-F272 HydrophobicContact CD2-CE1 3.71Å; F243-F272 HydrophobicContact CE2-CD1 4.47Å; F243-F272 HydrophobicContact CG-CE1 4.35Å; F243-R275 HydrophobicContact CD1-CG 3.74Å; F243-R275 HydrophobicContact CD2-CB 4.15Å; F243-R275 HydrophobicContact CD2-CG 3.5Å; F243-R275 VanDerWaalsContact CD2-CG 3.5Å; F243-R275 HydrophobicContact CE1-CG 3.69Å; F243-R275 HydrophobicContact CE2-CB 3.99Å; F243-R275 HydrophobicContact CE2-CG 3.45Å; F243-R275 VanDerWaalsContact CE2-CG 3.45Å; F243-R275 HydrophobicContact CG-CG 3.65Å; F243-R275 HydrophobicContact CZ-CB 4.41Å; F243-R275 HydrophobicContact CZ-CG 3.56Å; F243-R276 HydrophobicContact CE2-CG 3.85Å; F243-R276 HydrophobicContact CZ-CG 4.41Å; F243-W279 HydrophobicContact CZ-CB 4.15Å; F243-W279 HydrophobicContact CZ-CG 4.31Å
244Q98.1Very high98.3Very high142 Ų14271.6 Ų71.666%0.66433%0.333SS*.Hα-helixtrans-64.8-33.3173.6-69.7163.311.900112.8E240 A242E240-Q244 VanDerWaalsContact O-CG 3.32Å; E240-Q244 WeakPolarHBondContact O-CG 3.46Å; E240-Q244 PolarHBondContact O-N 3.5Å; A242-Q244 VanDerWaalsContact C-N 3.29Å; A242-Q244 PolarHBondContact O-N 3.12Å
245K97.8Very high98.3Very high186 Ų18669.8 Ų69.881%0.80933%0.329SS*.Hα-helixtrans-73.6-45.2173.8-63.5179.6-179-176.40111.8R241 A242 F243R241-K245 PolarHBondContact O-N 3.15Å; A242-K245 WeakPolarHBondContact O-CB 3.49Å; A242-K245 PolarHBondContact O-N 3.01Å; A242-K245 VanDerWaalsContact O-N 3.11Å; F243-K245 VanDerWaalsContact C-N 3.33Å
246T97.8Very high98.3Very high55 Ų5573.1 Ų73.134%0.33735%0.345SS..  trans-152.3131.7174.1175.10000112.2A242 F243 Y248 P249A242-T246 PolarHBondContact O-N 3.28Å; F243-T246 WeakPolarHBondContact CA-O 3.28Å; F243-T246 CarbonylContact O-C 3.25Å; F243-T246 VanDerWaalsContact O-C 3.25Å; F243-T246 PolarHBondContact O-N 3.03Å; T246-Y248 PolarHBondContact O-N 3.27Å; T246-Y248 VanDerWaalsContact OG1-C 3.26Å; T246-Y248 PolarHBondContact OG1-N 3.01Å; T246-Y248 PolarHBondContact OG1-O 3.34Å; T246-Y248 VanDerWaalsContact OG1-O 3.13Å; T246-P249 HydrophobicContact CG2-CB 4.08Å
247H97.9Very high98.3Very high58 Ų5870.2 Ų70.227%0.26933%0.33SS..SBendtrans-67-18.9170.5-61.9156.9000112.8F243 R276 W279F243-H247 AromaticContact CD1-CD2 3.7Å; F243-H247 AromaticContact CE1-CD2 3.23Å; F243-H247 WeakPolarHBondContact CE1-CD2 3.09Å; F243-H247 AromaticContact CE1-NE2 3.5Å; F243-H247 WeakPolarHBondContact CE1-NE2 3.29Å; F243-H247 HydrophobicContact CE2-CB 3.93Å; F243-H247 AromaticContact CE2-CD2 3.62Å; F243-H247 HydrophobicContact CZ-CB 4.16Å; F243-H247 AromaticContact CZ-CD2 3.18Å; F243-H247 WeakPolarHBondContact CZ-CD2 3.28Å; F243-H247 AromaticContact CZ-CG 3.76Å; F243-H247 AromaticContact CZ-NE2 3.78Å; F243-H247 PolarHBondContact O-CD2 3.13Å; F243-H247 VanDerWaalsContact O-CD2 3.31Å; H247-R276 HydrophobicContact CB-CG 4.4Å; H247-R276 WeakPolarHBondContact O-CD 3.36Å; H247-R276 WeakPolarHBondContact O-CG 3.29Å; H247-R276 PolarHBondContact O-NH1 3.3Å; H247-W279 AromaticContact CE1-CE2 3.49Å; H247-W279 VanDerWaalsContact CE1-CE2 3.49Å; H247-W279 AromaticContact CE1-CZ2 3.67Å; H247-W279 AromaticContact CE1-NE1 3.57Å; H247-W279 AromaticContact NE2-NE1 3.9Å
248Y98.4Very high98.3Very high150 Ų15065.9 Ų65.959%0.58831%0.311SS*.SBendtrans-130.877.5-176.7-62.8-94.5000110.1T246 R276T246-Y248 PolarHBondContact O-N 3.27Å; T246-Y248 VanDerWaalsContact OG1-C 3.26Å; T246-Y248 PolarHBondContact OG1-N 3.01Å; T246-Y248 PolarHBondContact OG1-O 3.34Å; T246-Y248 VanDerWaalsContact OG1-O 3.13Å; Y248-R276 VanDerWaalsContact CE1-NE 3.29Å
249P98.1Very high98.3Very high9 Ų972.4 Ų72.46%0.05834%0.343CS..  trans-69.2141.517429.7-36.8000111.4T246 T253 R254 F272T246-P249 HydrophobicContact CG2-CB 4.08Å; P249-T253 HydrophobicContact CB-CG2 3.93Å; P249-R254 HydrophobicContact CB-CG 3.97Å; P249-R254 HydrophobicContact CG-CG 3.71Å; P249-R254 PolarHBondContact O-NH1 3.03Å; P249-F272 VanDerWaalsContact CD-CE1 3.44Å; P249-F272 HydrophobicContact CG-CD1 3.56Å; P249-F272 HydrophobicContact CG-CD2 4.06Å; P249-F272 HydrophobicContact CG-CE1 3.48Å; P249-F272 VanDerWaalsContact CG-CE1 3.48Å; P249-F272 HydrophobicContact CG-CE2 4Å; P249-F272 HydrophobicContact CG-CG 3.86Å; P249-F272 HydrophobicContact CG-CZ 3.73Å
250D98.4Very high98.3Very high92 Ų9278.9 Ų78.949%0.49237%0.367SS..  trans-72.3169.5177.3-172.134.5000112.5F252 T253 R254D250-F252 PolarHBondContact O-N 3.01Å; D250-T253 PolarHBondContact O-N 3.02Å; D250-R254 WeakPolarHBondContact O-CG 3.49Å; D250-R254 PolarHBondContact O-N 3.46Å; D250-R254 PolarHBondContact O-NH1 3.3Å
251V98.2Very high98.3Very high61 Ų6177.3 Ų77.337%0.3736%0.36SS..Hα-helixtrans-50-57.2-178.8-175.10000110.9T253 R254 E255V251-T253 VanDerWaalsContact C-N 3.3Å; V251-T253 PolarHBondContact O-N 3.45Å; V251-R254 CarbonylContact O-C 3.59Å; V251-R254 WeakPolarHBondContact O-CA 3.46Å; V251-R254 PolarHBondContact O-N 3.07Å; V251-E255 HydrophobicContact CG1-CG 4.47Å; V251-E255 WeakPolarHBondContact CG1-OE1 3.38Å; V251-E255 WeakPolarHBondContact O-CG 3.4Å; V251-E255 PolarHBondContact O-N 2.81Å
252F98.4Very high98.3Very high152 Ų15279.3 Ų79.367%0.66738%0.379SS*.Hα-helixtrans-58.2-39.1-179.7-57.1-68.5000112.9D250 R254 E255 E256D250-F252 PolarHBondContact O-N 3.01Å; F252-R254 VanDerWaalsContact C-N 3.34Å; F252-R254 PolarHBondContact O-N 3.05Å; F252-E255 PolarHBondContact O-N 2.99Å; F252-E256 PolarHBondContact O-N 2.94Å
253T98.3Very high98.2Very high55 Ų5579.7 Ų79.734%0.33738%0.379SS..Hα-helixtrans-67.5-33.6176.1-45.10000112.2P249 D250 V251 L257P249-T253 HydrophobicContact CB-CG2 3.93Å; D250-T253 PolarHBondContact O-N 3.02Å; V251-T253 VanDerWaalsContact C-N 3.3Å; V251-T253 PolarHBondContact O-N 3.45Å; T253-L257 HydrophobicContact CG2-CD1 4.43Å; T253-L257 WeakPolarHBondContact O-CB 3.38Å; T253-L257 WeakPolarHBondContact O-CD1 3.49Å; T253-L257 VanDerWaalsContact O-CG 3.23Å; T253-L257 WeakPolarHBondContact O-CG 3.47Å; T253-L257 PolarHBondContact O-N 3.05Å
254R98.7Very high98.2Very high35 Ų3583.5 Ų83.513%0.13240%0.403CS..Hα-helixtrans-76.1-28.1175.4-63.9-171.5-43.9-81.4-5.6112.2P249 D250 V251 F252 A258 E265 V268P249-R254 HydrophobicContact CB-CG 3.97Å; P249-R254 HydrophobicContact CG-CG 3.71Å; P249-R254 PolarHBondContact O-NH1 3.03Å; D250-R254 WeakPolarHBondContact O-CG 3.49Å; D250-R254 PolarHBondContact O-N 3.46Å; D250-R254 PolarHBondContact O-NH1 3.3Å; V251-R254 CarbonylContact O-C 3.59Å; V251-R254 WeakPolarHBondContact O-CA 3.46Å; V251-R254 PolarHBondContact O-N 3.07Å; F252-R254 VanDerWaalsContact C-N 3.34Å; F252-R254 PolarHBondContact O-N 3.05Å; R254-A258 WeakPolarHBondContact O-CB 3.41Å; R254-A258 PolarHBondContact O-N 2.67Å; R254-E265 HydrophobicContact CB-CG 4.17Å; R254-E265 IonicContact CZ-OE1 2.96Å; R254-E265 IonicContact NE-OE1 2.66Å; R254-E265 PolarHBondContact NE-OE1 3.23Å; R254-E265 IonicContact NH2-OE1 3.08Å; R254-E265 PolarHBondContact NH2-OE1 3.39Å; R254-V268 HydrophobicContact CB-CB 4.49Å; R254-V268 HydrophobicContact CB-CG1 3.99Å; R254-V268 HydrophobicContact CG-CG1 4.06Å
255E98.6Very high98.2Very high85 Ų8578.8 Ų78.840%0.39738%0.381SS..Hα-helixtrans-73.2-44.2173.3-70.9168.7163.300111.6V251 F252 L257 A258 M259 E265V251-E255 HydrophobicContact CG1-CG 4.47Å; V251-E255 WeakPolarHBondContact CG1-OE1 3.38Å; V251-E255 WeakPolarHBondContact O-CG 3.4Å; V251-E255 PolarHBondContact O-N 2.81Å; F252-E255 PolarHBondContact O-N 2.99Å; E255-L257 VanDerWaalsContact C-N 3.34Å; E255-L257 PolarHBondContact O-N 3.14Å; E255-A258 WeakPolarHBondContact O-CB 3.5Å; E255-A258 PolarHBondContact O-N 2.91Å; E255-M259 WeakPolarHBondContact O-CG 3.45Å; E255-M259 PolarHBondContact O-N 2.93Å; E255-E265 HydrophobicContact CG-CB 4.48Å; E255-E265 HydrophobicContact CG-CG 4.17Å
256E98.5Very high98.2Very high94 Ų9472 Ų7244%0.43936%0.359SS..Hα-helixtrans-56.7-48.1172-166.4-144.3144.200111F252 A258 M259 R260F252-E256 PolarHBondContact O-N 2.94Å; E256-A258 VanDerWaalsContact C-N 3.28Å; E256-A258 PolarHBondContact O-N 3.14Å; E256-M259 PolarHBondContact O-N 2.86Å; E256-R260 VanDerWaalsContact O-CB 3.3Å; E256-R260 WeakPolarHBondContact O-CB 3.47Å; E256-R260 WeakPolarHBondContact O-CG 3.47Å; E256-R260 PolarHBondContact O-N 3.11Å; E256-R260 WeakPolarHBondContact OE1-CD 3.38Å; E256-R260 IonicContact OE1-CZ 2.73Å; E256-R260 IonicContact OE1-NE 3.16Å; E256-R260 IonicContact OE1-NH1 3.7Å; E256-R260 PolarHBondContact OE1-NH1 2.99Å
257L98.4Very high98.2Very high11 Ų1174 Ų746%0.05836%0.361CS..Hα-helixtrans-66.8-26.3175.6-71.3169.3000113.4A242 T253 E255 L261 V268 F272A242-L257 HydrophobicContact CB-CD1 3.61Å; A242-L257 HydrophobicContact CB-CD2 4.08Å; A242-L257 HydrophobicContact CB-CG 4.49Å; T253-L257 HydrophobicContact CG2-CD1 4.43Å; T253-L257 WeakPolarHBondContact O-CB 3.38Å; T253-L257 WeakPolarHBondContact O-CD1 3.49Å; T253-L257 VanDerWaalsContact O-CG 3.23Å; T253-L257 WeakPolarHBondContact O-CG 3.47Å; T253-L257 PolarHBondContact O-N 3.05Å; E255-L257 VanDerWaalsContact C-N 3.34Å; E255-L257 PolarHBondContact O-N 3.14Å; L257-L261 VanDerWaalsContact O-CB 3.23Å; L257-L261 WeakPolarHBondContact O-CB 3.22Å; L257-L261 WeakPolarHBondContact O-CD1 3.44Å; L257-L261 VanDerWaalsContact O-CG 3.22Å; L257-L261 WeakPolarHBondContact O-CG 3.4Å; L257-V268 HydrophobicContact CB-CG1 4.22Å; L257-V268 HydrophobicContact CD1-CG1 4.43Å; L257-F272 HydrophobicContact CD1-CE2 4.18Å; L257-F272 HydrophobicContact CD1-CZ 4.39Å
258A98.6Very high98.3Very high7 Ų771.2 Ų71.26%0.05835%0.348CS..Hα-helixtrans-72.3-49.9176.400000110.4R254 E255 E256 L261 D262 L263 V268R254-A258 WeakPolarHBondContact O-CB 3.41Å; R254-A258 PolarHBondContact O-N 2.67Å; E255-A258 WeakPolarHBondContact O-CB 3.5Å; E255-A258 PolarHBondContact O-N 2.91Å; E256-A258 VanDerWaalsContact C-N 3.28Å; E256-A258 PolarHBondContact O-N 3.14Å; A258-L261 PolarHBondContact O-N 3.45Å; A258-D262 PolarHBondContact O-N 3.39Å; A258-L263 CarbonylContact C-O 3.38Å; A258-L263 WeakPolarHBondContact CA-O 3.45Å; A258-L263 VanDerWaalsContact CB-O 3.3Å; A258-L263 WeakPolarHBondContact CB-O 3.46Å; A258-L263 PolarHBondContact O-N 2.94Å; A258-L263 VanDerWaalsContact O-O 3.08Å; A258-V268 HydrophobicContact CB-CG2 4.07Å
259M98.4Very high98.3Very high155 Ų15567.5 Ų67.576%0.76434%0.336SS*.Hα-helixtrans-61.5-46.2176.6-67.6178.768.900112.1E255 E256 L261E255-M259 WeakPolarHBondContact O-CG 3.45Å; E255-M259 PolarHBondContact O-N 2.93Å; E256-M259 PolarHBondContact O-N 2.86Å; M259-L261 PolarHBondContact O-N 3.1Å; M259-L261 VanDerWaalsContact O-N 3.14Å
260R98.2Very high98.3Very high137 Ų13770.3 Ų70.352%0.51735%0.353SS..THydrogen-bonded Turntrans-67.9-9.9-178-72.8173.158.8149.17.2115.2E238 E256E238-R260 IonicContact OE2-NH2 2.72Å; E256-R260 VanDerWaalsContact O-CB 3.3Å; E256-R260 WeakPolarHBondContact O-CB 3.47Å; E256-R260 WeakPolarHBondContact O-CG 3.47Å; E256-R260 PolarHBondContact O-N 3.11Å; E256-R260 WeakPolarHBondContact OE1-CD 3.38Å; E256-R260 IonicContact OE1-CZ 2.73Å; E256-R260 IonicContact OE1-NE 3.16Å; E256-R260 IonicContact OE1-NH1 3.7Å; E256-R260 PolarHBondContact OE1-NH1 2.99Å
261L97.9Very high98.3Very high5 Ų567.3 Ų67.33%0.02633%0.334CS..THydrogen-bonded Turntrans-126.64.2-171.8-66.3-176.8000113.9Y234 Q235 E238 L239 L257 A258 M259 L263Y234-L261 HydrophobicContact CD1-CD2 4.19Å; Y234-L261 HydrophobicContact CE1-CD2 3.83Å; Q235-L261 HydrophobicContact CG-CB 4.19Å; Q235-L261 HydrophobicContact CG-CD2 4.2Å; Q235-L261 PolarHBondContact NE2-O 3.41Å; E238-L261 HydrophobicContact CB-CD1 4.16Å; E238-L261 HydrophobicContact CB-CD2 3.87Å; E238-L261 HydrophobicContact CG-CD2 3.91Å; L239-L261 HydrophobicContact CD1-CD1 4.39Å; L239-L261 HydrophobicContact CD2-CD1 4.04Å; L239-L261 HydrophobicContact CG-CD1 3.79Å; L257-L261 VanDerWaalsContact O-CB 3.23Å; L257-L261 WeakPolarHBondContact O-CB 3.22Å; L257-L261 WeakPolarHBondContact O-CD1 3.44Å; L257-L261 VanDerWaalsContact O-CG 3.22Å; L257-L261 WeakPolarHBondContact O-CG 3.4Å; A258-L261 PolarHBondContact O-N 3.45Å; M259-L261 PolarHBondContact O-N 3.1Å; M259-L261 VanDerWaalsContact O-N 3.14Å; L261-L263 VanDerWaalsContact C-N 3.3Å; L261-L263 HydrophobicContact CB-CD1 3.89Å; L261-L263 HydrophobicContact CB-CG 4.04Å; L261-L263 HydrophobicContact CD1-CD1 4.22Å; L261-L263 PolarHBondContact O-N 3.36Å
262D98.3Very high98.3Very high156 Ų15664.4 Ų64.483%0.83432%0.317SS*.THydrogen-bonded Turntrans53.945.5-172.5-57-53.7000112.8A258A258-D262 PolarHBondContact O-N 3.39Å
263L97.5Very high98.3Very high23 Ų2361.6 Ų61.612%0.1231%0.306CS..  trans-121.7158178.3-65.5174.8000110.1T229 F231 L239 A258 L261 R267 V268T229-L263 HydrophobicContact CG2-CD2 4.31Å; F231-L263 HydrophobicContact CD1-CD1 3.88Å; F231-L263 HydrophobicContact CD1-CD2 3.93Å; F231-L263 HydrophobicContact CE1-CD1 3.77Å; F231-L263 HydrophobicContact CE1-CD2 3.81Å; F231-L263 HydrophobicContact CE1-CG 4.46Å; L239-L263 HydrophobicContact CD1-CD1 4.3Å; A258-L263 CarbonylContact C-O 3.38Å; A258-L263 WeakPolarHBondContact CA-O 3.45Å; A258-L263 VanDerWaalsContact CB-O 3.3Å; A258-L263 WeakPolarHBondContact CB-O 3.46Å; A258-L263 PolarHBondContact O-N 2.94Å; A258-L263 VanDerWaalsContact O-O 3.08Å; L261-L263 VanDerWaalsContact C-N 3.3Å; L261-L263 HydrophobicContact CB-CD1 3.89Å; L261-L263 HydrophobicContact CB-CG 4.04Å; L261-L263 HydrophobicContact CD1-CD1 4.22Å; L261-L263 PolarHBondContact O-N 3.36Å; L263-R267 HydrophobicContact CB-CB 4.49Å; L263-V268 HydrophobicContact CB-CG2 4.3Å; L263-V268 HydrophobicContact CD1-CG2 4.38Å
264T98.1Very high98.3Very high86 Ų8663.6 Ų63.653%0.52832%0.315SS..  trans-83.1149.1164.862.40000110.3A266 R267 V268T264-A266 PolarHBondContact O-N 2.88Å; T264-A266 VanDerWaalsContact O-N 3.1Å; T264-R267 WeakPolarHBondContact O-CA 3.44Å; T264-R267 WeakPolarHBondContact O-CB 3.47Å; T264-R267 PolarHBondContact O-N 2.88Å; T264-V268 PolarHBondContact O-N 2.56Å
265E98.3Very high98.3Very high42 Ų4265.5 Ų65.520%0.19632%0.322CS..Hα-helixtrans-45.8-45.1173.8-175.4-73.5157.700110.9R254 E255 R267 V268 Q269R254-E265 HydrophobicContact CB-CG 4.17Å; R254-E265 IonicContact CZ-OE1 2.96Å; R254-E265 IonicContact NE-OE1 2.66Å; R254-E265 PolarHBondContact NE-OE1 3.23Å; R254-E265 IonicContact NH2-OE1 3.08Å; R254-E265 PolarHBondContact NH2-OE1 3.39Å; E255-E265 HydrophobicContact CG-CB 4.48Å; E255-E265 HydrophobicContact CG-CG 4.17Å; E265-R267 PolarHBondContact O-N 3.46Å; E265-R267 VanDerWaalsContact O-N 3.11Å; E265-V268 CarbonylContact O-C 3.57Å; E265-V268 WeakPolarHBondContact O-CA 3.43Å; E265-V268 WeakPolarHBondContact O-CB 3.48Å; E265-V268 PolarHBondContact O-N 2.89Å; E265-Q269 WeakPolarHBondContact O-CB 3.28Å; E265-Q269 PolarHBondContact O-N 2.98Å; E265-Q269 PolarHBondContact OE2-NE2 3.29Å
266A97.9Very high98.2Very high43 Ų4363.6 Ų63.636%0.35531%0.311SS..Hα-helixtrans-61.9-24.2-178.400000113.2T264 V270T264-A266 PolarHBondContact O-N 2.88Å; T264-A266 VanDerWaalsContact O-N 3.1Å; A266-V270 WeakPolarHBondContact O-CB 3.44Å; A266-V270 WeakPolarHBondContact O-CG2 3.36Å; A266-V270 PolarHBondContact O-N 3.35Å
267R98Very high98.2Very high97 Ų9761.1 Ų61.137%0.36631%0.306SS..Hα-helixtrans-77.3-43.1170.4-68.7-57.7116.2109.57.4112.1T229 F231 L263 T264 E265 V270 W271T229-R267 HydrophobicContact CG2-CG 4.37Å; T229-R267 WeakPolarHBondContact OG1-CD 3.49Å; T229-R267 PolarHBondContact OG1-NH1 3.09Å; F231-R267 HydrophobicContact CE1-CB 4.31Å; F231-R267 HydrophobicContact CZ-CB 4.41Å; L263-R267 HydrophobicContact CB-CB 4.49Å; T264-R267 WeakPolarHBondContact O-CA 3.44Å; T264-R267 WeakPolarHBondContact O-CB 3.47Å; T264-R267 PolarHBondContact O-N 2.88Å; E265-R267 PolarHBondContact O-N 3.46Å; E265-R267 VanDerWaalsContact O-N 3.11Å; R267-V270 PolarHBondContact O-N 3.03Å; R267-W271 WeakPolarHBondContact O-CB 3.45Å; R267-W271 PolarHBondContact O-N 2.96Å
268V98.4Very high98.1Very high0 Ų067.4 Ų67.40%033%0.333CS..Hα-helixtrans-59.1-50.9174.2-179.70000109.6L239 R254 L257 A258 L263 T264 E265 V270 W271 F272L239-V268 HydrophobicContact CD2-CG1 3.89Å; L239-V268 HydrophobicContact CD2-CG2 4.38Å; R254-V268 HydrophobicContact CB-CB 4.49Å; R254-V268 HydrophobicContact CB-CG1 3.99Å; R254-V268 HydrophobicContact CG-CG1 4.06Å; L257-V268 HydrophobicContact CB-CG1 4.22Å; L257-V268 HydrophobicContact CD1-CG1 4.43Å; A258-V268 HydrophobicContact CB-CG2 4.07Å; L263-V268 HydrophobicContact CB-CG2 4.3Å; L263-V268 HydrophobicContact CD1-CG2 4.38Å; T264-V268 PolarHBondContact O-N 2.56Å; E265-V268 CarbonylContact O-C 3.57Å; E265-V268 WeakPolarHBondContact O-CA 3.43Å; E265-V268 WeakPolarHBondContact O-CB 3.48Å; E265-V268 PolarHBondContact O-N 2.89Å; V268-V270 PolarHBondContact O-N 3.41Å; V268-W271 WeakPolarHBondContact O-CB 3.5Å; V268-W271 PolarHBondContact O-N 3.01Å; V268-W271 VanDerWaalsContact O-N 3.14Å; V268-F272 HydrophobicContact CG1-CD2 3.81Å; V268-F272 HydrophobicContact CG1-CE2 3.91Å; V268-F272 WeakPolarHBondContact O-CD2 3.18Å; V268-F272 PolarHBondContact O-N 2.97Å
269Q98.4Very high97.9Very high73 Ų7371.1 Ų71.134%0.34135%0.346SS..Hα-helixtrans-54.4-49.5175.2171.5165.6-139.200112.7E265 W271 F272 Q273E265-Q269 WeakPolarHBondContact O-CB 3.28Å; E265-Q269 PolarHBondContact O-N 2.98Å; E265-Q269 PolarHBondContact OE2-NE2 3.29Å; Q269-W271 VanDerWaalsContact C-N 3.34Å; Q269-W271 PolarHBondContact O-N 2.99Å; Q269-F272 PolarHBondContact O-N 3.48Å; Q269-Q273 WeakPolarHBondContact O-CG 3.35Å; Q269-Q273 PolarHBondContact O-N 2.75Å
270V98.3Very high97.7Very high67 Ų6769.5 Ų69.541%0.40633%0.331SS..Hα-helixtrans-66.1-35.5178.2167.90000111.8A266 R267 V268 N274A266-V270 WeakPolarHBondContact O-CB 3.44Å; A266-V270 WeakPolarHBondContact O-CG2 3.36Å; A266-V270 PolarHBondContact O-N 3.35Å; R267-V270 PolarHBondContact O-N 3.03Å; V268-V270 PolarHBondContact O-N 3.41Å; V270-N274 WeakPolarHBondContact CG1-ND2 3.41Å; V270-N274 PolarHBondContact O-N 3.12Å; V270-N274 VanDerWaalsContact O-N 3.1Å; V270-N274 PolarHBondContact O-ND2 3.15Å
271W98.4Very high97.5Very high29 Ų2970.8 Ų70.811%0.1134%0.341CS..Hα-helixtrans-61.8-50.1173.2-173.3105.1000110.9F231 L239 E240 F243 R267 V268 Q269 Q273 N274 R275F231-W271 AromaticContact CD2-CD1 3.98Å; F231-W271 AromaticContact CE2-CD1 3.74Å; F231-W271 HydrophobicContact CZ-CB 4.33Å; L239-W271 HydrophobicContact CB-CD2 3.98Å; L239-W271 HydrophobicContact CB-CE3 3.98Å; L239-W271 HydrophobicContact CB-CH2 3.81Å; L239-W271 HydrophobicContact CB-CZ2 3.76Å; L239-W271 HydrophobicContact CB-CZ3 3.91Å; L239-W271 HydrophobicContact CD1-CB 4.43Å; L239-W271 HydrophobicContact CD1-CD2 3.95Å; L239-W271 HydrophobicContact CD1-CG 3.85Å; L239-W271 HydrophobicContact CG-CD2 4.43Å; L239-W271 WeakPolarHBondContact O-CZ3 3.38Å; E240-W271 HydrophobicContact CB-CH2 4.44Å; F243-W271 HydrophobicContact CB-CH2 4.28Å; F243-W271 HydrophobicContact CB-CZ3 4.11Å; F243-W271 HydrophobicContact CD2-CZ3 4.39Å; F243-W271 HydrophobicContact CG-CZ3 4.45Å; R267-W271 WeakPolarHBondContact O-CB 3.45Å; R267-W271 PolarHBondContact O-N 2.96Å; V268-W271 WeakPolarHBondContact O-CB 3.5Å; V268-W271 PolarHBondContact O-N 3.01Å; V268-W271 VanDerWaalsContact O-N 3.14Å; Q269-W271 VanDerWaalsContact C-N 3.34Å; Q269-W271 PolarHBondContact O-N 2.99Å; W271-Q273 PolarHBondContact O-N 2.67Å; W271-N274 PolarHBondContact O-N 3.14Å; W271-N274 VanDerWaalsContact O-N 3.14Å; W271-R275 HydrophobicContact CE3-CB 3.96Å; W271-R275 HydrophobicContact CE3-CG 4.48Å; W271-R275 HydrophobicContact CH2-CB 4.06Å; W271-R275 HydrophobicContact CH2-CG 3.73Å; W271-R275 HydrophobicContact CZ3-CB 3.7Å; W271-R275 HydrophobicContact CZ3-CG 3.72Å; W271-R275 WeakPolarHBondContact O-CB 3.45Å; W271-R275 PolarHBondContact O-N 3.01Å
272F98.7Very high96.9Very high1 Ų180.1 Ų80.10%0.00438%0.375CS..Hα-helixtrans-62.4-39.1179.3-91.6-91.2000112.7L239 A242 F243 P249 L257 V268 Q269 R275 R276L239-F272 HydrophobicContact CD2-CD2 4.45Å; L239-F272 HydrophobicContact CD2-CE2 3.84Å; A242-F272 HydrophobicContact CB-CZ 3.96Å; F243-F272 HydrophobicContact CB-CE1 3.96Å; F243-F272 HydrophobicContact CB-CZ 4.36Å; F243-F272 AromaticContact CD2-CD1 3.75Å; F243-F272 HydrophobicContact CD2-CD1 3.75Å; F243-F272 AromaticContact CD2-CE1 3.71Å; F243-F272 HydrophobicContact CD2-CE1 3.71Å; F243-F272 HydrophobicContact CE2-CD1 4.47Å; F243-F272 HydrophobicContact CG-CE1 4.35Å; P249-F272 VanDerWaalsContact CD-CE1 3.44Å; P249-F272 HydrophobicContact CG-CD1 3.56Å; P249-F272 HydrophobicContact CG-CD2 4.06Å; P249-F272 HydrophobicContact CG-CE1 3.48Å; P249-F272 VanDerWaalsContact CG-CE1 3.48Å; P249-F272 HydrophobicContact CG-CE2 4Å; P249-F272 HydrophobicContact CG-CG 3.86Å; P249-F272 HydrophobicContact CG-CZ 3.73Å; L257-F272 HydrophobicContact CD1-CE2 4.18Å; L257-F272 HydrophobicContact CD1-CZ 4.39Å; V268-F272 HydrophobicContact CG1-CD2 3.81Å; V268-F272 HydrophobicContact CG1-CE2 3.91Å; V268-F272 WeakPolarHBondContact O-CD2 3.18Å; V268-F272 PolarHBondContact O-N 2.97Å; Q269-F272 PolarHBondContact O-N 3.48Å; F272-R275 PolarHBondContact O-N 3.31Å; F272-R276 WeakPolarHBondContact O-CB 3.23Å; F272-R276 WeakPolarHBondContact O-CG 3.45Å; F272-R276 PolarHBondContact O-N 2.98Å
273Q98.5Very high95.6Very high93 Ų9376.9 Ų76.944%0.43536%0.355SS..Hα-helixtrans-59.9-46.3172.6-72.5176.716.600111.8Q269 W271 A277Q269-Q273 WeakPolarHBondContact O-CG 3.35Å; Q269-Q273 PolarHBondContact O-N 2.75Å; W271-Q273 PolarHBondContact O-N 2.67Å; Q273-A277 WeakPolarHBondContact O-CB 3.43Å; Q273-A277 PolarHBondContact O-N 2.66Å
274N98.1Very high94.1Very high97 Ų9783 Ų8352%0.51938%0.381SS..Hα-helixtrans-66.5-39.2177.2-78.3-66.7000112.4V270 W271 A277 K278V270-N274 WeakPolarHBondContact CG1-ND2 3.41Å; V270-N274 PolarHBondContact O-N 3.12Å; V270-N274 VanDerWaalsContact O-N 3.1Å; V270-N274 PolarHBondContact O-ND2 3.15Å; W271-N274 PolarHBondContact O-N 3.14Å; W271-N274 VanDerWaalsContact O-N 3.14Å; N274-A277 PolarHBondContact O-N 2.89Å; N274-K278 PolarHBondContact O-N 3.16Å
275R98Very high92.3Very high75 Ų7581.8 Ų81.828%0.28338%0.38SS..Hα-helixtrans-63.1-48.7176.2-173.471.4-160.2-178.74111.1E240 F243 W271 F272 A277 K278 W279E240-R275 VanDerWaalsContact CD-NH2 3.28Å; E240-R275 IonicContact OE1-CZ 3.66Å; E240-R275 IonicContact OE1-NE 3.99Å; E240-R275 PolarHBondContact OE1-NE 3.22Å; E240-R275 IonicContact OE1-NH1 3.08Å; E240-R275 IonicContact OE1-NH2 2.78Å; E240-R275 PolarHBondContact OE1-NH2 3.05Å; E240-R275 WeakPolarHBondContact OE2-CD 3.34Å; E240-R275 IonicContact OE2-CZ 2.71Å; E240-R275 IonicContact OE2-NE 3.58Å; E240-R275 PolarHBondContact OE2-NE 2.91Å; E240-R275 IonicContact OE2-NH1 3.34Å; E240-R275 PolarHBondContact OE2-NH1 3.05Å; E240-R275 IonicContact OE2-NH2 3.75Å; E240-R275 PolarHBondContact OE2-NH2 2.96Å; F243-R275 HydrophobicContact CD1-CG 3.74Å; F243-R275 HydrophobicContact CD2-CB 4.15Å; F243-R275 HydrophobicContact CD2-CG 3.5Å; F243-R275 VanDerWaalsContact CD2-CG 3.5Å; F243-R275 HydrophobicContact CE1-CG 3.69Å; F243-R275 HydrophobicContact CE2-CB 3.99Å; F243-R275 HydrophobicContact CE2-CG 3.45Å; F243-R275 VanDerWaalsContact CE2-CG 3.45Å; F243-R275 HydrophobicContact CG-CG 3.65Å; F243-R275 HydrophobicContact CZ-CB 4.41Å; F243-R275 HydrophobicContact CZ-CG 3.56Å; W271-R275 HydrophobicContact CE3-CB 3.96Å; W271-R275 HydrophobicContact CE3-CG 4.48Å; W271-R275 HydrophobicContact CH2-CB 4.06Å; W271-R275 HydrophobicContact CH2-CG 3.73Å; W271-R275 HydrophobicContact CZ3-CB 3.7Å; W271-R275 HydrophobicContact CZ3-CG 3.72Å; W271-R275 WeakPolarHBondContact O-CB 3.45Å; W271-R275 PolarHBondContact O-N 3.01Å; F272-R275 PolarHBondContact O-N 3.31Å; R275-A277 VanDerWaalsContact C-N 3.29Å; R275-A277 PolarHBondContact O-N 3.46Å; R275-K278 PolarHBondContact O-N 3.11Å; R275-W279 WeakPolarHBondContact O-CB 3.29Å; R275-W279 PolarHBondContact O-N 2.99Å
276R97.9Very high90.3Very high44 Ų4482.7 Ų82.717%0.16640%0.4CS..Hα-helixtrans-58.4-36.9172.5-74-164.6-67.4-908.3112.9F243 H247 Y248 F272 R280F243-R276 HydrophobicContact CE2-CG 3.85Å; F243-R276 HydrophobicContact CZ-CG 4.41Å; H247-R276 HydrophobicContact CB-CG 4.4Å; H247-R276 WeakPolarHBondContact O-CD 3.36Å; H247-R276 WeakPolarHBondContact O-CG 3.29Å; H247-R276 PolarHBondContact O-NH1 3.3Å; Y248-R276 VanDerWaalsContact CE1-NE 3.29Å; F272-R276 WeakPolarHBondContact O-CB 3.23Å; F272-R276 WeakPolarHBondContact O-CG 3.45Å; F272-R276 PolarHBondContact O-N 2.98Å; R276-R280 WeakPolarHBondContact O-CG 3.24Å; R276-R280 PolarHBondContact O-N 2.71Å
277A97.4Very high88.2Confident42 Ų4286.4 Ų86.435%0.34742%0.418SS..Hα-helixtrans-67.1-42.5176.800000112.4Q273 N274 R275 K281Q273-A277 WeakPolarHBondContact O-CB 3.43Å; Q273-A277 PolarHBondContact O-N 2.66Å; N274-A277 PolarHBondContact O-N 2.89Å; R275-A277 VanDerWaalsContact C-N 3.29Å; R275-A277 PolarHBondContact O-N 3.46Å; A277-K281 PolarHBondContact O-N 3.28Å; A277-K281 VanDerWaalsContact O-N 3.16Å
278K95.9Very high85.8Confident144 Ų14487.9 Ų87.963%0.62643%0.429SS*.Hα-helixtrans-62.9-45.3172.3-73.3178.366.3-1770111.9N274 R275 K281 R282N274-K278 PolarHBondContact O-N 3.16Å; R275-K278 PolarHBondContact O-N 3.11Å; K278-K281 PolarHBondContact O-N 2.86Å; K278-R282 PolarHBondContact O-N 2.89Å
279W95.1Very high83.4Confident84 Ų8491.4 Ų91.432%0.31846%0.459SS..Hα-helixtrans-57.7-55179.1178.784000111.4F243 H247 R275 K281 R282 E283F243-W279 HydrophobicContact CZ-CB 4.15Å; F243-W279 HydrophobicContact CZ-CG 4.31Å; H247-W279 AromaticContact CE1-CE2 3.49Å; H247-W279 VanDerWaalsContact CE1-CE2 3.49Å; H247-W279 AromaticContact CE1-CZ2 3.67Å; H247-W279 AromaticContact CE1-NE1 3.57Å; H247-W279 AromaticContact NE2-NE1 3.9Å; R275-W279 WeakPolarHBondContact O-CB 3.29Å; R275-W279 PolarHBondContact O-N 2.99Å; W279-K281 PolarHBondContact O-N 3.05Å; W279-K281 VanDerWaalsContact O-N 3.16Å; W279-R282 PolarHBondContact O-N 2.92Å; W279-E283 VanDerWaalsContact CH2-OE1 3.24Å; W279-E283 WeakPolarHBondContact CH2-OE1 3.19Å; W279-E283 WeakPolarHBondContact CZ2-OE1 3.45Å; W279-E283 PolarHBondContact O-N 2.78Å
280R95.4Very high80.9Confident121 Ų12194.7 Ų94.746%0.45747%0.473SS..Hα-helixtrans-57.8-30.3175.2-73.1-174.4-72.1105.6-4.4113.6R276 K284R276-R280 WeakPolarHBondContact O-CG 3.24Å; R276-R280 PolarHBondContact O-N 2.71Å; R280-K284 WeakPolarHBondContact O-CD 3.44Å
281K92.1Very high78.3Confident165 Ų16596.4 Ų96.472%0.71749%0.486SS*.Hα-helixtrans-73-34.6175.9-172.1173.5179.2179.80112.2A277 K278 W279 K284 A285A277-K281 PolarHBondContact O-N 3.28Å; A277-K281 VanDerWaalsContact O-N 3.16Å; K278-K281 PolarHBondContact O-N 2.86Å; W279-K281 PolarHBondContact O-N 3.05Å; W279-K281 VanDerWaalsContact O-N 3.16Å; K281-K284 PolarHBondContact O-N 2.91Å; K281-A285 PolarHBondContact O-N 3.17Å
282R85.9Confident76.2Confident200 Ų200101.5 Ų101.576%0.75553%0.526SS*.Hα-helixtrans-65.3-40.6178.2-164.817180.1164.14.2111.6K278 W279 A285 G286K278-R282 PolarHBondContact O-N 2.89Å; W279-R282 PolarHBondContact O-N 2.92Å; R282-A285 PolarHBondContact O-N 3.37Å; R282-G286 PolarHBondContact O-N 2.76Å
283E72.3Confident74Confident89 Ų89104.6 Ų104.642%0.41656%0.559SS.*Hα-helixtrans-61.5-45.6176-60.1179.3129.500112.4W279 A285 G286W279-E283 VanDerWaalsContact CH2-OE1 3.24Å; W279-E283 WeakPolarHBondContact CH2-OE1 3.19Å; W279-E283 WeakPolarHBondContact CZ2-OE1 3.45Å; W279-E283 PolarHBondContact O-N 2.78Å; E283-A285 PolarHBondContact O-N 2.71Å; E283-G286 PolarHBondContact O-N 2.77Å; E283-G286 VanDerWaalsContact O-N 3.07Å
284K65.1Low72Confident151 Ų151107 Ų10766%0.65757%0.574SS**Hα-helixtrans-61.5-31.6176.9-93.263.7-179.8169.40112.5R280 K281R280-K284 WeakPolarHBondContact O-CD 3.44Å; K281-K284 PolarHBondContact O-N 2.91Å
285A60.2Low69.8Low60 Ų60108.4 Ų108.450%0.49659%0.588SS.*Hα-helixtrans-74.2-26.217600000113.1K281 R282 E283 V287 A289K281-A285 PolarHBondContact O-N 3.17Å; R282-A285 PolarHBondContact O-N 3.37Å; E283-A285 PolarHBondContact O-N 2.71Å; A285-V287 PolarHBondContact O-N 2.95Å; A285-A289 WeakPolarHBondContact O-CB 3.5Å; A285-A289 PolarHBondContact O-N 3.23Å
286G56.7Low67Low61 Ų61113.4 Ų113.463%0.62961%0.612SS**Hα-helixtrans-70.9-25.1-178.400000114.9R282 E283R282-G286 PolarHBondContact O-N 2.76Å; E283-G286 PolarHBondContact O-N 2.77Å; E283-G286 VanDerWaalsContact O-N 3.07Å
287V53.9Low65Low121 Ų121117 Ų11773%0.73364%0.641SS**Hα-helixtrans-93.2-24.5-178.4-175.60000112.5A285A285-V287 PolarHBondContact O-N 2.95Å
288Q48Very low62.5Low129 Ų129116.8 Ų116.860%0.60364%0.643SS**SBendtrans-113.523-179.9-67.9-58.5131.400113.4H290Q288-H290 PolarHBondContact NE2-NE2 3.47Å; Q288-H290 PolarHBondContact O-N 3.1Å
289A46.4Very low60.4Low74 Ų74116.1 Ų116.161%0.61265%0.653SS**  trans-74.571.1166.900000110.3A285 P291A285-A289 WeakPolarHBondContact O-CB 3.5Å; A285-A289 PolarHBondContact O-N 3.23Å; A289-P291 WeakPolarHBondContact O-CD 3.23Å
290H45.6Very low58.2Low141 Ų141120.1 Ų120.165%0.65368%0.68SS**  trans-58.1124.3165.9-73.6-88.6000108.7Q288 S292Q288-H290 PolarHBondContact NE2-NE2 3.47Å; Q288-H290 PolarHBondContact O-N 3.1Å; H290-S292 PolarHBondContact O-N 3.26Å
291P43.9Very low56Low103 Ų103118.5 Ų118.567%0.66969%0.693SS**  trans-64.9112.517326.6-32.5000108.3A289 G293A289-P291 WeakPolarHBondContact O-CD 3.23Å; P291-G293 PolarHBondContact O-N 3.18Å
292S55.1Low54Low136 Ų136115.7 Ų115.795%0.95170%0.7SS**THydrogen-bonded Turntrans-74.175179.6-610000109.8H290H290-S292 PolarHBondContact O-N 3.26Å
293G51.8Low52.3Low67 Ų67109.4 Ų109.469%0.69170%0.698SS**THydrogen-bonded Turntrans-176.41.4-174.300000117.3P291P291-G293 PolarHBondContact O-N 3.18Å
294L57.8Low51.2Low143 Ų143111.9 Ų111.975%0.74971%0.709SS**  trans-128.6129.2175.6-68.4176000111.7F296L294-F296 PolarHBondContact O-N 3.13Å; L294-F296 VanDerWaalsContact O-N 3.17Å
295P50.2Low50.5Low126 Ų126110.7 Ų110.782%0.81872%0.716SS**  trans-74.4102.1170.730.4-31.9000109.4P297P295-P297 WeakPolarHBondContact O-CD 3.18Å
296F39.3Very low50.2Low181 Ų181113.4 Ų113.479%0.79472%0.722SS**  trans-75.3122.2177.7-174.4-89.3000110.9L294 G298L294-F296 PolarHBondContact O-N 3.13Å; L294-F296 VanDerWaalsContact O-N 3.17Å; F296-G298 PolarHBondContact O-N 3.44Å
297P56.1Low49.9Very low119 Ų119114.1 Ų114.177%0.77372%0.718SS**  trans-75.396.517830.2-33.2000110.7P295P295-P297 WeakPolarHBondContact O-CD 3.18Å
298G44.8Very low49.8Very low37 Ų37117.1 Ų117.138%0.38172%0.723SS.*  trans-113.5139.8176.800000112.4F296 L300F296-G298 PolarHBondContact O-N 3.44Å; G298-L300 PolarHBondContact O-N 3.06Å
299P51.6Low50.2Low130 Ų130121.1 Ų121.184%0.84473%0.734SS**THydrogen-bonded Turntrans-73.320.9-163.3-2034.7000117.9
300L50.9Low50.7Low168 Ų168125.3 Ų125.388%0.8875%0.745SS**THydrogen-bonded Turntrans-97.35-170.7-57.7-177.7000114.6G298 A302G298-L300 PolarHBondContact O-N 3.06Å; L300-A302 VanDerWaalsContact C-N 3.31Å; L300-A302 PolarHBondContact O-N 2.99Å
301A48.7Very low51.2Low88 Ų88126.9 Ų126.973%0.72775%0.753SS**  trans-75.1-13.1-176.400000114.9G303A301-G303 PolarHBondContact O-N 3.2Å
302A50.3Low51.4Low106 Ų106126 Ų12688%0.87676%0.763SS**THydrogen-bonded Turntrans-79.640.5-167.800000115.4L300L300-A302 VanDerWaalsContact C-N 3.31Å; L300-A302 PolarHBondContact O-N 2.99Å
303G50.5Low50.7Low68 Ų68123.1 Ų123.170%0.70175%0.754SS**THydrogen-bonded Turntrans-161.27.2-172.200000119A301A301-G303 PolarHBondContact O-N 3.2Å
304H48.2Very low51Low141 Ų141126 Ų12665%0.65376%0.761SS**  trans-116119.4179.6-134.6-82.5000111.8L306H304-L306 PolarHBondContact O-N 3.17Å
305P49.5Very low50.1Low125 Ų125128.8 Ų128.881%0.81277%0.768SS**THydrogen-bonded Turntrans-76.930.9-170.933.3-38.3000114.4
306L55.6Low50Low118 Ų118126.7 Ų126.762%0.61875%0.754SS**THydrogen-bonded Turntrans-120.9-8.3-179.4-95.5161000113.6H304 H308 Y309H304-L306 PolarHBondContact O-N 3.17Å; L306-H308 VanDerWaalsContact C-N 3.27Å; L306-H308 PolarHBondContact O-N 3.16Å; L306-Y309 PolarHBondContact O-N 2.76Å
307S50.4Low50.3Low76 Ų76124.2 Ų124.253%0.53176%0.756SS.*G310 helixtrans-65.5-28.1-177-152.60000113.6Y309 L310S307-Y309 PolarHBondContact O-N 3.41Å; S307-L310 PolarHBondContact O-N 3.36Å
308H51.4Low49.7Very low183 Ų183125.9 Ų125.985%0.84775%0.753SS**G310 helixtrans-69.9-7.5-177.2-75.8-69.3000115.2L306L306-H308 VanDerWaalsContact C-N 3.27Å; L306-H308 PolarHBondContact O-N 3.16Å
309Y56.1Low49.8Very low214 Ų214129.9 Ų129.984%0.83977%0.772SS**G310 helixtrans-95.81.3-179.1-118.4-78.4000114.5L306 S307L306-Y309 PolarHBondContact O-N 2.76Å; S307-Y309 PolarHBondContact O-N 3.41Å
310L57.4Low49.1Very low162 Ų162132.1 Ų132.185%0.84877%0.771SS**SBendtrans-116.4-4.4-175.7-69.5174000114.4S307S307-L310 PolarHBondContact O-N 3.36Å
311E54.8Low49.2Very low173 Ų173130.4 Ų130.481%0.80877%0.77SS**SBendtrans-133.492.7-168.4-168.3159.4-159.300112.1
312G47.9Very low49.2Very low86 Ų86130.2 Ų130.289%0.88777%0.769SS**  trans152.795.8171.700000115
313G41.3Very low49.3Very low74 Ų74133.9 Ų133.976%0.76377%0.773SS**  trans166.3108.2171.500000114.5
314P58.3Low48.7Very low129 Ų129138.3 Ų138.384%0.83878%0.775SS**  trans-94.2118-179.633.6-30.4000112.6
315F38.8Very low48.5Very low201 Ų201134.7 Ų134.788%0.88277%0.766SS**  trans-142.9152.2169.5-127-113000110.2
316P46.9Very low48.6Very low81 Ų81133.5 Ų133.553%0.52677%0.766SS.*  trans-80.5158.3-165.632.1-36.5000114.4H318P316-H318 PolarHBondContact O-N 3.01Å
317P47.2Very low48.4Very low129 Ų129140.1 Ų140.184%0.83878%0.783SS**  trans-77108.2-177.130.6-34.7000112.7
318H43Very low48.4Very low154 Ų154141.3 Ų141.371%0.71379%0.787SS**  trans-95.2130.6161.4-72.4-82.1000110.1P316 H320P316-H318 PolarHBondContact O-N 3.01Å; H318-H320 PolarHBondContact O-N 2.86Å
319P46.1Very low48.2Very low122 Ų122136.1 Ų136.179%0.79278%0.776SS**  trans-80.4112.6-175.330.5-33.8000112.3
320H38.4Very low47.7Very low177 Ų177130.9 Ų130.982%0.81978%0.777SS**  trans-101.2120.6166.4-90.4-80.3000110.8H318 A322H318-H320 PolarHBondContact O-N 2.86Å; H320-A322 PolarHBondContact O-N 2.97Å; H320-A322 VanDerWaalsContact O-N 3.16Å
321P52.1Low47.3Very low132 Ų132127.8 Ų127.886%0.85778%0.775SS**  trans-8685.5-177.133.4-34.5000112.1
322A49.6Very low47.1Very low84 Ų84123.2 Ų123.269%0.69477%0.767SS**  trans-151.9132.9166.600000112.4H320H320-A322 PolarHBondContact O-N 2.97Å; H320-A322 VanDerWaalsContact O-N 3.16Å
323L52.5Low46.9Very low183 Ų183124 Ų12496%0.95876%0.764SS**SBendtrans67.633.8169.1-61.8171.3000118.1
324E37.3Very low47.1Very low161 Ų161125 Ų12575%0.75277%0.766SS**  trans-95.4115.8153.1-97.9-69.7176.400111.2
325S44.3Very low46.6Very low65 Ų65123.6 Ų123.646%0.45577%0.765SS.*  trans35.992.5144.7-54.40000120.1W327 T328S325-W327 PolarHBondContact O-N 3.38Å; S325-T328 WeakPolarHBondContact CB-OG1 3.38Å; S325-T328 PolarHBondContact O-N 3.31Å; S325-T328 PolarHBondContact O-OG1 2.93Å
326A50.2Low47Very low100 Ų100118.2 Ų118.283%0.82676%0.758SS**THydrogen-bonded Turntrans-64.52.817100000115.9
327W51.5Low46.6Very low257 Ų257124.2 Ų124.297%0.97378%0.776SS**THydrogen-bonded Turntrans-114-0.7177.8-75.7-12.2000114.6S325S325-W327 PolarHBondContact O-N 3.38Å
328T52.2Low46.4Very low100 Ų100124.4 Ų124.461%0.61378%0.777SS**SBendtrans-106.4-0.1175.114.30000114.1S325 A330S325-T328 WeakPolarHBondContact CB-OG1 3.38Å; S325-T328 PolarHBondContact O-N 3.31Å; S325-T328 PolarHBondContact O-OG1 2.93Å; T328-A330 VanDerWaalsContact C-N 3.32Å; T328-A330 PolarHBondContact O-N 2.68Å
329A45.7Very low46.1Very low75 Ų75120.4 Ų120.462%0.6278%0.777SS**THydrogen-bonded Turntrans-75.7-9.8-177.100000115.4A331A329-A331 PolarHBondContact O-N 3.06Å
330A45.9Very low45.8Very low104 Ų104123.2 Ų123.286%0.8679%0.785SS**THydrogen-bonded Turntrans-77.7-13.8-174.800000114.9T328T328-A330 VanDerWaalsContact C-N 3.32Å; T328-A330 PolarHBondContact O-N 2.68Å
331A49.9Very low45.9Very low96 Ų96119 Ų11979%0.79378%0.781SS**SBendtrans-105.2-9.4-170.700000115.1A329A329-A331 PolarHBondContact O-N 3.06Å
332A49.4Very low45.6Very low78 Ų78118.6 Ų118.665%0.64578%0.778SS**SBendtrans-102.7-6.8-169.900000115A334A332-A334 PolarHBondContact O-N 2.94Å
333A44.8Very low45.7Very low101 Ų101120.2 Ų120.284%0.83578%0.782SS**THydrogen-bonded Turntrans-82.427.4-171.100000115.1
334A44.1Very low45.7Very low97 Ų97116.4 Ų116.480%0.80277%0.768SS**THydrogen-bonded Turntrans-128.69.8-171.800000114.8A332A332-A334 PolarHBondContact O-N 2.94Å
335A49.7Very low45.7Very low99 Ų99116.5 Ų116.582%0.81877%0.768SS**  trans-121.737.7-168.500000114.2
336A45.3Very low45.3Very low87 Ų87120 Ų12072%0.71978%0.782SS**  trans-133.226.7-169.600000116.1
337F39.6Very low44.6Very low207 Ų207120.8 Ų120.891%0.90878%0.781SS**  trans-141.9119.8164.6-81.8-70.9000111.3
338P42.1Very low43.8Very low134 Ų134113.9 Ų113.987%0.8777%0.772SS**  trans-88.8114.4175.532.5-30.5000111.8
339G37.9Very low43.2Very low69 Ų69113.3 Ų113.371%0.71178%0.777SS**  trans98.8106.9157.200000117.5
340L38.5Very low43.7Very low181 Ų181115.4 Ų115.495%0.94879%0.785SS**  -154.4156.9115.2-128.875.6000109
341A41.3Very low44Very low89 Ų89116 Ų11674%0.73678%0.779SS**PPolyproline II helixtrans-92.1145.9-17500000112.8
342P46Very low43.5Very low124 Ų124119.5 Ų119.581%0.80578%0.784SS**PPolyproline II helixtrans-91.9129.4177.933.9-32.1000113.3
343P50.7Low42.9Very low118 Ų118120.5 Ų120.577%0.76679%0.792SS**PPolyproline II helixtrans-87.1164.815635.2-31.8000111.5
344P53.1Low42.6Very low103 Ų103122 Ų12267%0.66979%0.791SS**  trans-117.6162.2-16233.6-17.5000116.9
345H37.1Very low42.8Very low162 Ų162122.5 Ų122.575%0.7579%0.786SS**  trans71.4142.6152.169.6-113.6000123.4
346N35.3Very low42.3Very low140 Ų140125.5 Ų125.575%0.74979%0.788SS**  trans73.8107.8154.2-74.69000123.8
347S36.2Very low41.7Very low116 Ų116125 Ų12581%0.81179%0.791SS**  84.3151.1122.972.30000122.4
348S35.7Very low41.7Very low111 Ų111123.1 Ų123.178%0.77679%0.789SS**  trans82.893.1155.7-165.20000121.8
349A38.1Very low41.5Very low88 Ų88120 Ų12073%0.72778%0.781SS**  74.9162124.600000121.3
350P57.1Low41.9Very low120 Ų120123 Ų12378%0.77979%0.786SS**  trans-94.3-177.6-17443.4-38.2000111.7
351P52.8Low42.2Very low115 Ų115123.8 Ų123.875%0.74778%0.782SS**  cis-154.9176.537.145.8-23.1000121.6
352L38.4Very low42.1Very low171 Ų171127.8 Ų127.890%0.89579%0.79SS**  trans34.8111141-167.285.3000120.8
353A36.2Very low41.5Very low98 Ų98125.1 Ų125.181%0.8179%0.785SS**  trans-164.1138.3142.100000114
354T40.5Very low41.1Very low133 Ų133126.7 Ų126.782%0.81679%0.793SS**  trans-102.1167.315547.90000108.1
355P47.9Very low40.5Very low107 Ų107126 Ų12670%0.69580%0.796SS**  cis-150.9-179.930.544.5-23.4000119.2
356L37.7Very low41Very low163 Ų163123.3 Ų123.385%0.85380%0.802SS**  trans55.1118.2148.5-73.7163.3000121.5
357G33.3Very low41.3Very low76 Ų76123.4 Ų123.478%0.78480%0.799SS**  trans-168.2127.1158.100000110.2
358L38.9Very low41.8Very low168 Ų168126.1 Ų126.188%0.8880%0.797SS**  trans-92.3140.7-169-83.277.1000114
359G39.2Very low42Very low67 Ų67131.4 Ų131.469%0.69180%0.8SS**  112.8106.8123.400000118.6
360T46.7Very low42Very low134 Ų134134.9 Ų134.982%0.82280%0.801SS**  -166.3137.2115.915.50000112.6
361F44Very low41.5Very low197 Ų197135.2 Ų135.286%0.86480%0.803SS**  trans35116.6163.5-67.9-77.4000123.2
362L39.2Very low41.1Very low173 Ų173133.4 Ų133.491%0.90680%0.797SS**  trans-57.8148153-106.162.1000112.7
363G33.2Very low41.7Very low68 Ų68135.1 Ų135.170%0.70180%0.798SS**  97.889.612700000119
364T41.9Very low42.2Very low150 Ų150137.2 Ų137.292%0.9279%0.794SS**  trans-147.198.3139.6-3.10000109.6A366T364-A366 PolarHBondContact O-N 3.07Å
365A40.3Very low42.5Very low89 Ų89133.1 Ų133.174%0.73678%0.779SS**  trans-74.7123-179.600000111.1M367A365-M367 HydrophobicContact CB-CG 4.38Å; A365-M367 PolarHBondContact O-N 3.18Å
366A48.2Very low42.9Very low106 Ų106134.5 Ų134.588%0.87679%0.788SS**  trans-74.589.7173.500000110.6T364T364-A366 PolarHBondContact O-N 3.07Å
367M41.1Very low43.6Very low142 Ų142132.9 Ų132.970%0.778%0.784SS**  trans-129.8108.6-176.6-79.5-66.8-123.200113A365A365-M367 HydrophobicContact CB-CG 4.38Å; A365-M367 PolarHBondContact O-N 3.18Å
368F47.1Very low44.5Very low173 Ų173138.1 Ų138.176%0.75979%0.786SS**  trans55.3126158.7-65.1-81.7000121
369R39.2Very low44.8Very low222 Ų222134.1 Ų134.184%0.83879%0.785SS**  -162.6112.1106.6-114.1163.5149.875.3-3.9113.3
370H39Very low45.5Very low161 Ų161142.5 Ų142.575%0.74580%0.796SS**  trans-105.1132.5162.5-161.7-78.1000108.3A372H370-A372 PolarHBondContact O-N 3.29Å
371P45.7Very low46Very low127 Ų127142.6 Ų142.683%0.82579%0.791SS**SBendtrans-79.477.9-169.731.5-36.6000112.3
372A44.9Very low46.2Very low76 Ų76143 Ų14363%0.62879%0.793SS**  trans-145.30.7-175.500000117H370H370-A372 PolarHBondContact O-N 3.29Å
373F51.4Low46.3Very low207 Ų207141.2 Ų141.291%0.90880%0.795SS**  trans-15296.7-178-121.1-83000113.7
374I46.3Very low46.9Very low142 Ų142142.6 Ų142.673%0.72879%0.793SS**  trans-144.6123.5158.6-67.8-171.1000108.2
375G46.4Very low46.8Very low48 Ų48143.6 Ų143.650%0.49579%0.79SS.*  trans-86.9161164.500000111.7T377G375-T377 PolarHBondContact O-N 3.23Å
376P57.4Low46.9Very low136 Ų136142.3 Ų142.388%0.88379%0.785SS**SBendtrans-85.851.3-156.335.4-38.9000116.1
377T52.7Low46.7Very low128 Ų128143.7 Ų143.779%0.78579%0.785SS**SBendtrans-142.724.9-176.447.40000117.9G375G375-T377 PolarHBondContact O-N 3.23Å
378F51.6Low46.9Very low186 Ų186145.1 Ų145.182%0.81680%0.795SS**  trans-15258.1171.2-141.3-94.1000116.8
379G44.7Very low46.8Very low84 Ų84143.7 Ų143.787%0.86680%0.801SS**  trans-117.740.6-170.200000117.3
380R54.3Low46.6Very low243 Ų243138.7 Ų138.792%0.91780%0.799SS**  trans-138.98.1-165.4-118.8-174.3-166.7-171.25.3120.2
381L57.2Low46.5Very low137 Ų137135 Ų13572%0.71780%0.797SS**SBendtrans-124.75.4-165.6-87.5168.9000119.2
382F47.6Very low46Very low205 Ų205134.6 Ų134.690%0.89980%0.797SS**  trans-131.488.9168.5-91.6-85.6000111.9
383S42.6Very low45.7Very low135 Ų135137.8 Ų137.894%0.94481%0.809SS**  trans-153.263.6167.1-70.90000109
384S44.4Very low44.9Very low97 Ų97132.4 Ų132.468%0.67880%0.803SS**  trans-151.1159.1171.1-174.10000108
385M40.4Very low44.3Very low172 Ų172130.8 Ų130.885%0.84781%0.811SS**  trans6473.7-174.3-54.9-72.288.400114.9
386G43.5Very low43.6Very low62 Ų62132.8 Ų132.864%0.63982%0.822SS**  trans-88.3143.2149.200000110.1
387P43.8Very low42.5Very low135 Ų135134 Ų13488%0.87782%0.821SS**  trans-75.9148.6-179.931.1-34.7000112.6
388L45Very low41.7Very low171 Ų171135.7 Ų135.790%0.89582%0.824SS**  trans-106.4116-175.2-65.9168.5000112.6
389T44Very low40.6Very low144 Ų144137.5 Ų137.588%0.88383%0.825SS**  trans-157.4150.9153.254.50000108.8
390S35Very low39.9Very low116 Ų116142 Ų14281%0.81182%0.824SS**  cis-159.3163.4-33.4-167.30000108.5
391A36.9Very low39.3Very low85 Ų85136.3 Ų136.370%0.70282%0.818SS**  trans64.3121.4-173.300000114.9
392S36.2Very low38Very low117 Ų117134 Ų13482%0.81882%0.819SS**  76.3132.452.1-57.20000112.6
393T38.9Very low38.5Very low143 Ų143129.7 Ų129.788%0.87781%0.812SS**  cis-137.8158.421.8-51.90000112.3
394A33.4Very low38.5Very low95 Ų95128.7 Ų128.779%0.78580%0.802SS**  trans-88.3160.5-176.700000114.6
395A33.8Very low38Very low107 Ų107129.8 Ų129.888%0.88481%0.805SS**  trans-166.7158.7130.400000110.3
396A31.3Very low37.6Very low90 Ų90129.8 Ų129.874%0.74480%0.802SS**  trans-121.7146.8-176.400000113.1
397L34.5Very low37.1Very low162 Ų162134.1 Ų134.185%0.84881%0.811SS**  trans34.1112.7148.4-57.9174.8000119.2
398L35.7Very low37.3Very low164 Ų164132.6 Ų132.686%0.85980%0.801SS**  -164.2151.3120.8-133.470.5000114.2
399R28.5Very low36.6Very low223 Ų223128.9 Ų128.984%0.84279%0.79SS**  trans71.7113.5141.9-162.6166.7-179.5100.7-4.9120.3
400Q31.6Very low36.4Very low180 Ų180131 Ų13184%0.84179%0.789SS**  trans-70.8154.7153.5-96.9-166.3-0.700111
401P40Very low36.2Very low122 Ų122130.4 Ų130.479%0.79279%0.791SS**  -141.2-169.360.839.8-20000116.1
402A30.2Very low35.9Very low89 Ų89129.8 Ų129.874%0.73679%0.793SS**  trans-121.8-168.4176.900000110.4
403P58Low35.7Very low115 Ų115129.8 Ų129.875%0.74779%0.793SS**  cis-113.7-179.1-36.540.8-28.5000111.3
404P42.4Very low35.5Very low114 Ų114129.2 Ų129.274%0.7479%0.789SS**  -152.714397.241.5-23.1000115.4
405V35Very low35.7Very low120 Ų120132.5 Ų132.573%0.72779%0.793SS**  91138.796175.50000116.6
406E31.2Very low36.3Very low172 Ų172133.4 Ų133.480%0.80479%0.789SS**  trans61.8116.7166.7-78.1157-163.500120.8
407N32.7Very low36.2Very low152 Ų152136.3 Ų136.381%0.81379%0.792SS**  58.9149.964.9-82.44.9000116.1
408P49.9Very low37Very low103 Ų103133.3 Ų133.367%0.66978%0.783SS**  cis-141.3-163.8-30.741.4-23.3000113.4
409S30.4Very low36.7Very low94 Ų94130.4 Ų130.466%0.65778%0.776SS**  trans70.6160.6160.877.30000117.5
410H38.1Very low36.8Very low187 Ų187124.9 Ų124.987%0.86677%0.772SS**  cis-128.3-179.39.4-101-80.9000113.1
411A31.3Very low36.9Very low105 Ų105121.6 Ų121.687%0.86877%0.768SS**  trans-114.8163.3-176.400000113.9
412G31.1Very low36.5Very low72 Ų72121 Ų12174%0.74277%0.767SS**  trans141.3108177.800000109.7
413S32Very low36.8Very low117 Ų117123 Ų12382%0.81878%0.776SS**  cis91.1150.947.7-165.70000113.2
414V33.8Very low35.9Very low130 Ų130122.7 Ų122.779%0.78878%0.776SS**  trans81.8119.6176.5-170.70000117.2
415L38.8Very low35.9Very low165 Ų165122.6 Ų122.686%0.86478%0.778SS**  trans-94153.2157.9-64.4167.9000108.5
416P46.8Very low36.2Very low125 Ų125121.8 Ų121.881%0.81278%0.778SS**  -144.7164.695.837-21.2000116.3
417D29.1Very low36.9Very low151 Ų151118.5 Ų118.581%0.80777%0.774SS**  trans-82.7177.7168.8-146.125000109.8
418P51.3Low37.4Very low99 Ų99116 Ų11664%0.64377%0.769SS**  cis-132.5169.5-8.441.8-26.7000115.7
419S29Very low37.1Very low104 Ų104113.8 Ų113.873%0.72776%0.759SS**  152.2143.6125.3580000115.6
420S31.3Very low37.9Very low106 Ų106111.8 Ų111.874%0.74175%0.748SS**  trans30.5114.5158.752.10000119.2
421S31.9Very low38.3Very low111 Ų111105.2 Ų105.278%0.77673%0.726SS**  -179.816073.3440000114
422S32.8Very low38.9Very low110 Ų110103 Ų10377%0.76971%0.708SS**  trans20.3112.8157.956.80000121.4
423S36Very low39.7Very low131 Ų131104.8 Ų104.892%0.91670%0.7SS**  -163.8163.7117.741.80000110.9
424S38.3Very low40.5Very low108 Ų108109.1 Ų109.176%0.75570%0.699SS**  trans-120.2171-161.9550000114
425S42.4Very low41.3Very low112 Ų112113.8 Ų113.878%0.78370%0.702SS**  trans69.4104.9166.168.60000118.9
426S43.1Very low41.8Very low103 Ų103109.1 Ų109.172%0.7269%0.688SS**  trans-173.6-9.4153.349.60000114.3S428S426-S428 VanDerWaalsContact C-N 3.32Å; S426-S428 PolarHBondContact O-N 3.21Å
427S44.4Very low42.2Very low104 Ų104106.5 Ų106.573%0.72767%0.672SS**THydrogen-bonded Turntrans-71.3-10.1-170.151.20000117
428S43Very low44.4Very low100 Ų100102.4 Ų102.470%0.69966%0.656SS**THydrogen-bonded Turntrans-76.5-38.717952.70000113.4S426 A431 A432S426-S428 VanDerWaalsContact C-N 3.32Å; S426-S428 PolarHBondContact O-N 3.21Å; S428-A431 PolarHBondContact O-N 3.45Å; S428-A432 PolarHBondContact O-N 2.85Å
429A44.8Very low45.5Very low55 Ų55102.8 Ų102.846%0.45565%0.651SS.*Hα-helixtrans-63.4-52.3-179.500000111.7A431 A432 D433A429-A431 PolarHBondContact O-N 3.17Å; A429-A432 WeakPolarHBondContact O-CA 3.43Å; A429-A432 WeakPolarHBondContact O-CB 3.32Å; A429-A432 PolarHBondContact O-N 2.9Å; A429-D433 PolarHBondContact O-N 3.26Å
430A47.3Very low47.8Very low53 Ų53100.9 Ų100.944%0.43864%0.642SS.*Hα-helixtrans-64.2-11.3179.200000114.8R434A430-R434 PolarHBondContact O-NE 3.12Å
431A44.8Very low50.4Low48 Ų4898.5 Ų98.540%0.39763%0.628SS.*Hα-helixtrans-90.2-31.4170.100000112.5S428 A429S428-A431 PolarHBondContact O-N 3.45Å; A429-A431 PolarHBondContact O-N 3.17Å
432A45.7Very low53Low58 Ų5898.3 Ų98.348%0.47962%0.618SS.*Hα-helixtrans-70.6-46.8172.600000111.4S428 A429 R434 R435 A436S428-A432 PolarHBondContact O-N 2.85Å; A429-A432 WeakPolarHBondContact O-CA 3.43Å; A429-A432 WeakPolarHBondContact O-CB 3.32Å; A429-A432 PolarHBondContact O-N 2.9Å; A432-R434 VanDerWaalsContact C-N 3.28Å; A432-R434 PolarHBondContact O-N 3.26Å; A432-R435 CarbonylContact O-C 3.54Å; A432-R435 WeakPolarHBondContact O-CA 3.38Å; A432-R435 PolarHBondContact O-N 3.23Å; A432-A436 PolarHBondContact O-N 3.33Å
433D46.1Very low55.8Low111 Ų111101.6 Ų101.659%0.59461%0.614SS**THydrogen-bonded Turntrans-59.1-36.7-179.8-72.3-51.3000113.1A429 R435 A436 S437A429-D433 PolarHBondContact O-N 3.26Å; D433-R435 PolarHBondContact O-N 3.48Å; D433-A436 PolarHBondContact O-N 3.01Å; D433-S437 PolarHBondContact O-N 3.46Å
434R50.1Low58.2Low208 Ų208101.2 Ų101.279%0.78560%0.6SS**THydrogen-bonded Turntrans-65.4-20.8174.3-79.7-165.7-90.4-168.3-5.6113.9A430 A432A430-R434 PolarHBondContact O-NE 3.12Å; A432-R434 VanDerWaalsContact C-N 3.28Å; A432-R434 PolarHBondContact O-N 3.26Å
435R49.8Very low60.9Low227 Ų227102.7 Ų102.786%0.85759%0.593SS**THydrogen-bonded Turntrans-96.4-25.2170.1-70.7-174173.8123-4.4113A432 D433 S437A432-R435 CarbonylContact O-C 3.54Å; A432-R435 WeakPolarHBondContact O-CA 3.38Å; A432-R435 PolarHBondContact O-N 3.23Å; D433-R435 PolarHBondContact O-N 3.48Å; R435-S437 PolarHBondContact O-N 2.91Å
436A48.9Very low63.1Low68 Ų68100.3 Ų100.356%0.56258%0.58SS**  trans-79.214.1177.300000114.2A432 D433 S438A432-A436 PolarHBondContact O-N 3.33Å; D433-A436 PolarHBondContact O-N 3.01Å; A436-S438 VanDerWaalsContact C-N 3.29Å; A436-S438 PolarHBondContact O-N 2.95Å
437S55.9Low65.3Low69 Ų69103.1 Ų103.148%0.48358%0.579SS.*  trans-60.887.4172.8-74.50000111.3D433 R435D433-S437 PolarHBondContact O-N 3.46Å; R435-S437 PolarHBondContact O-N 2.91Å
438S74.8Confident67.4Low66 Ų66102.5 Ų102.546%0.46257%0.565SS.*  trans-52.2143.8-172.7176.40000112.5A436 A440 A441 L442A436-S438 VanDerWaalsContact C-N 3.29Å; A436-S438 PolarHBondContact O-N 2.95Å; S438-A440 PolarHBondContact O-N 3.21Å; S438-A440 PolarHBondContact OG-N 3.16Å; S438-A441 WeakPolarHBondContact O-CA 3.3Å; S438-A441 WeakPolarHBondContact O-CB 3.38Å; S438-A441 PolarHBondContact O-N 3Å; S438-L442 PolarHBondContact O-N 2.86Å
439I75.8Confident69.6Low107 Ų107103.3 Ų103.355%0.54956%0.558SS.*Hα-helixtrans-54.1-26.9170.7-75.1171.5000111.4R443I439-R443 WeakPolarHBondContact O-CB 3.44Å; I439-R443 WeakPolarHBondContact O-CD 3.34Å; I439-R443 WeakPolarHBondContact O-CG 3.46Å; I439-R443 PolarHBondContact O-N 3.25Å; I439-R443 VanDerWaalsContact O-N 3.11Å
440A75.9Confident71.3Confident64 Ų64103.8 Ų103.853%0.52956%0.557SS.*Hα-helixtrans-66.4-47.7170.700000112.3S438 R443 L444S438-A440 PolarHBondContact O-N 3.21Å; S438-A440 PolarHBondContact OG-N 3.16Å; A440-R443 PolarHBondContact O-N 2.93Å; A440-L444 WeakPolarHBondContact O-CB 3.38Å; A440-L444 PolarHBondContact O-N 3.47Å
441A86.1Confident72.6Confident55 Ų55103.7 Ų103.746%0.45556%0.557SS.*Hα-helixtrans-64.1-42.3178.400000112S438 R443 L444 K445S438-A441 WeakPolarHBondContact O-CA 3.3Å; S438-A441 WeakPolarHBondContact O-CB 3.38Å; S438-A441 PolarHBondContact O-N 3Å; A441-R443 PolarHBondContact O-N 3.23Å; A441-L444 PolarHBondContact O-N 3.33Å; A441-K445 WeakPolarHBondContact O-CB 3.4Å; A441-K445 PolarHBondContact O-N 3.33Å
442L87.5Confident74.1Confident108 Ų108105.7 Ų105.757%0.56556%0.558SS**Hα-helixtrans-61.3-41.7174.2-70.8172.5000112.1S438 A446S438-L442 PolarHBondContact O-N 2.86Å; L442-A446 VanDerWaalsContact O-CB 3.3Å; L442-A446 WeakPolarHBondContact O-CB 3.21Å; L442-A446 PolarHBondContact O-N 2.99Å
443R90.4Very high75.2Confident179 Ų179108 Ų10868%0.67556%0.562SS**Hα-helixtrans-67.6-38.1175.4-75.8170179.4162.42.3112.8I439 A440 A441 K447I439-R443 WeakPolarHBondContact O-CB 3.44Å; I439-R443 WeakPolarHBondContact O-CD 3.34Å; I439-R443 WeakPolarHBondContact O-CG 3.46Å; I439-R443 PolarHBondContact O-N 3.25Å; I439-R443 VanDerWaalsContact O-N 3.11Å; A440-R443 PolarHBondContact O-N 2.93Å; A441-R443 PolarHBondContact O-N 3.23Å; R443-K447 WeakPolarHBondContact O-CB 3.43Å; R443-K447 PolarHBondContact O-N 2.88Å
444L88.1Confident76.2Confident122 Ų122107.1 Ų107.164%0.63956%0.56SS**Hα-helixtrans-67-47.9178.5-158.6162.7000110.1A440 A441 A446 K447 E448A440-L444 WeakPolarHBondContact O-CB 3.38Å; A440-L444 PolarHBondContact O-N 3.47Å; A441-L444 PolarHBondContact O-N 3.33Å; L444-A446 VanDerWaalsContact C-N 3.34Å; L444-A446 PolarHBondContact O-N 3.01Å; L444-K447 WeakPolarHBondContact O-CB 3.37Å; L444-K447 PolarHBondContact O-N 3.21Å; L444-K447 VanDerWaalsContact O-N 3.1Å; L444-E448 WeakPolarHBondContact O-CB 3.25Å; L444-E448 PolarHBondContact O-N 3.49Å
445K93.2Very high76.7Confident140 Ų140103.9 Ų103.961%0.60955%0.554SS**Hα-helixtrans-62.6-36.7175.6-165.6169.5-168.264.10113.1A441 H449A441-K445 WeakPolarHBondContact O-CB 3.4Å; A441-K445 PolarHBondContact O-N 3.33Å; K445-H449 WeakPolarHBondContact O-CB 3.45Å; K445-H449 PolarHBondContact O-N 3.05Å
446A89.8Confident77.1Confident62 Ų6299.5 Ų99.551%0.51255%0.547SS..Hα-helixtrans-65.9-38.7172.600000112.4L442 L444 S450L442-A446 VanDerWaalsContact O-CB 3.3Å; L442-A446 WeakPolarHBondContact O-CB 3.21Å; L442-A446 PolarHBondContact O-N 2.99Å; L444-A446 VanDerWaalsContact C-N 3.34Å; L444-A446 PolarHBondContact O-N 3.01Å; A446-S450 PolarHBondContact O-N 3.21Å
447K89.7Confident77.4Confident161 Ų161103.1 Ų103.170%0.756%0.557SS**Hα-helixtrans-67.8-43.1175.7-169.5179.7179.1-173.60111.6R443 L444 S450 A451R443-K447 WeakPolarHBondContact O-CB 3.43Å; R443-K447 PolarHBondContact O-N 2.88Å; L444-K447 WeakPolarHBondContact O-CB 3.37Å; L444-K447 PolarHBondContact O-N 3.21Å; L444-K447 VanDerWaalsContact O-N 3.1Å; K447-S450 PolarHBondContact O-N 2.83Å; K447-S450 PolarHBondContact O-OG 2.93Å; K447-A451 PolarHBondContact O-N 3.38Å
448E88.5Confident77.4Confident92 Ų92106.2 Ų106.243%0.4357%0.567SS.*Hα-helixtrans-56.3-51.6172.6-179.1-173-159.100111.4L444 S450 A451 Q452L444-E448 WeakPolarHBondContact O-CB 3.25Å; L444-E448 PolarHBondContact O-N 3.49Å; E448-S450 VanDerWaalsContact C-N 3.28Å; E448-S450 PolarHBondContact O-N 3.25Å; E448-A451 WeakPolarHBondContact O-CB 3.47Å; E448-A451 PolarHBondContact O-N 2.91Å; E448-Q452 PolarHBondContact O-N 3.4Å
449H87.6Confident76.1Confident117 Ų117109.9 Ų109.954%0.54258%0.58SS.*Hα-helixtrans-59-37.4176.7-172.4-82000112.3K445 L453K445-H449 WeakPolarHBondContact O-CB 3.45Å; K445-H449 PolarHBondContact O-N 3.05Å; H449-L453 WeakPolarHBondContact O-CB 3.4Å; H449-L453 PolarHBondContact O-N 2.82Å; H449-L453 VanDerWaalsContact O-N 3.07Å
450S81.4Confident74.8Confident64 Ų64110.6 Ų110.645%0.44859%0.592SS.*Hα-helixtrans-66.9-34.1175.473.70000113.2A446 K447 E448 T454A446-S450 PolarHBondContact O-N 3.21Å; K447-S450 PolarHBondContact O-N 2.83Å; K447-S450 PolarHBondContact O-OG 2.93Å; E448-S450 VanDerWaalsContact C-N 3.28Å; E448-S450 PolarHBondContact O-N 3.25Å; S450-T454 PolarHBondContact O-N 3.04Å; S450-T454 VanDerWaalsContact O-N 3.13Å; S450-T454 PolarHBondContact O-OG1 3.46Å
451A75.4Confident73.4Confident51 Ų51113.1 Ų113.142%0.42161%0.613SS.*Hα-helixtrans-70.3-43.6175.800000111.9K447 E448 L453 T454 Q455K447-A451 PolarHBondContact O-N 3.38Å; E448-A451 WeakPolarHBondContact O-CB 3.47Å; E448-A451 PolarHBondContact O-N 2.91Å; A451-L453 VanDerWaalsContact C-N 3.35Å; A451-L453 PolarHBondContact O-N 2.83Å; A451-T454 WeakPolarHBondContact O-CA 3.45Å; A451-T454 WeakPolarHBondContact O-CB 3.45Å; A451-T454 PolarHBondContact O-N 3.17Å; A451-Q455 PolarHBondContact O-N 3.17Å
452Q75.6Confident71.8Confident90 Ų90114 Ų11442%0.42163%0.627SS.*Hα-helixtrans-58.9-44.6174.4-69.1171.5-4.800111.6E448 T454 Q455 L456E448-Q452 PolarHBondContact O-N 3.4Å; Q452-T454 PolarHBondContact O-N 3.45Å; Q452-Q455 PolarHBondContact O-N 3.3Å; Q452-L456 WeakPolarHBondContact O-CG 3.03Å; Q452-L456 PolarHBondContact O-N 3.48Å
453L69.3Low69.5Low108 Ų108114 Ų11457%0.56564%0.643SS**Hα-helixtrans-64.4-25.7175.4-134.5165.9000112.6H449 A451H449-L453 WeakPolarHBondContact O-CB 3.4Å; H449-L453 PolarHBondContact O-N 2.82Å; H449-L453 VanDerWaalsContact O-N 3.07Å; A451-L453 VanDerWaalsContact C-N 3.35Å; A451-L453 PolarHBondContact O-N 2.83Å
454T66.8Low67.4Low91 Ų91110.4 Ų110.456%0.55865%0.651SS**Hα-helixtrans-77.1-40.4174.8-54.50000111.1S450 A451 Q452 N457S450-T454 PolarHBondContact O-N 3.04Å; S450-T454 VanDerWaalsContact O-N 3.13Å; S450-T454 PolarHBondContact O-OG1 3.46Å; A451-T454 WeakPolarHBondContact O-CA 3.45Å; A451-T454 WeakPolarHBondContact O-CB 3.45Å; A451-T454 PolarHBondContact O-N 3.17Å; Q452-T454 PolarHBondContact O-N 3.45Å; T454-N457 WeakPolarHBondContact O-CB 3.41Å; T454-N457 PolarHBondContact O-N 3.36Å
455Q60.3Low65.4Low141 Ų141108.1 Ų108.166%0.65966%0.657SS**Hα-helixtrans-65.7-40.6175.8-72.4179-36.800112.7A451 Q452 N457 I458A451-Q455 PolarHBondContact O-N 3.17Å; Q452-Q455 PolarHBondContact O-N 3.3Å; Q455-N457 PolarHBondContact O-N 3.16Å; Q455-N457 VanDerWaalsContact O-N 3.15Å; Q455-I458 PolarHBondContact O-N 3.06Å
456L58.5Low63.1Low135 Ų135110.2 Ų110.271%0.70767%0.666SS**THydrogen-bonded Turntrans-64.9-14.6175.4-69.4174.3000113.7Q452 I458Q452-L456 WeakPolarHBondContact O-CG 3.03Å; Q452-L456 PolarHBondContact O-N 3.48Å; L456-I458 VanDerWaalsContact C-N 3.31Å
457N55.6Low61.1Low144 Ų144115.5 Ų115.577%0.7768%0.68SS**THydrogen-bonded Turntrans-90.56.7175.3-144.210.7000112.7T454 Q455T454-N457 WeakPolarHBondContact O-CB 3.41Å; T454-N457 PolarHBondContact O-N 3.36Å; Q455-N457 PolarHBondContact O-N 3.16Å; Q455-N457 VanDerWaalsContact O-N 3.15Å
458I55.1Low59.1Low133 Ų133114.1 Ų114.168%0.68269%0.685SS**  trans-10958.7174.6-44.5178.9000109.3Q455 L456Q455-I458 PolarHBondContact O-N 3.06Å; L456-I458 VanDerWaalsContact C-N 3.31Å
459L47.9Very low57.2Low143 Ų143119.4 Ų119.475%0.74973%0.73SS**  trans-107.7124.9163.7-81.5166.9000108.4A461L459-A461 PolarHBondContact O-N 3.36Å
460P47.2Very low55.7Low123 Ų123119.5 Ų119.580%0.79974%0.739SS**  trans-72.1120.5-17628.1-33.5000111.1G462P460-G462 VanDerWaalsContact C-N 3.34Å; P460-G462 PolarHBondContact O-N 3.26Å
461A47.8Very low54.3Low117 Ų117122.4 Ų122.497%0.96775%0.754SS**  trans-72.387.4169.400000109.7L459L459-A461 PolarHBondContact O-N 3.36Å
462G51.9Low53.2Low73 Ų73126.4 Ų126.475%0.75377%0.773SS**  trans-164.860.9-170.300000115.2P460P460-G462 VanDerWaalsContact C-N 3.34Å; P460-G462 PolarHBondContact O-N 3.26Å
463A39.8Very low51.8Low108 Ų108128.5 Ų128.589%0.89379%0.794SS**  trans-143.298167.100000110
464A46.7Very low50.8Low103 Ų103129.8 Ų129.885%0.85181%0.808SS**  trans-142.1141.3175.300000109.5
465G45.3Very low49.7Very low74 Ų74132.4 Ų132.476%0.76383%0.825SS**  trans78.5146.4-16500000111.8
466K45.3Very low48.9Very low185 Ų185131.8 Ų131.880%0.80484%0.836SS**  cis-156.1152.913.154-162.6166.7-174.20111.2
467E46.6Very low48.2Very low173 Ų173131.5 Ų131.581%0.80885%0.846SS**  trans-62.5155.8173.551.2-88.581.100113
468V47.5Very low47.6Very low132 Ų132130.5 Ų130.580%0.885%0.853SS**  trans-137.1115.6168.1177.80000108
469C49.7Very low46.9Very low202 Ų202130.3 Ų130.3100%1.36587%0.868SS**  trans18.80163.6-51.50000118

Retrieved 469 of 469 residues in 218.7 ms (Link to these results)