A0A077Z0E1_TRITR Loading...

Transcription factor AP 1

AlphaFold DB , UniProt , Accession A0A077Z0E1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 560 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
1M47.5Very low51.9Low239 Ų239150.2 Ų150.2100%1.17782%0.823SS**  0154.90-76.1-175.7160.600108.3
2N53.5Low51.9Low160 Ų160148.1 Ų148.186%0.85682%0.824SS**  trans-73.6142.6-142.3-60.9-10000115.3
3S45.9Very low52Low114 Ų114146.4 Ų146.480%0.79783%0.826SS**  trans-86134.7160.8-42.60000108.6
4D59.2Low52.1Low157 Ų157143.4 Ų143.484%0.8482%0.82SS**  trans-145.8113159.5-100.2-47000109.7
5A45.3Very low52.7Low107 Ų107142.3 Ų142.388%0.88482%0.82SS**  trans-125.1104169.200000106.9
6S54.4Low52.9Low108 Ų108144.1 Ų144.176%0.75582%0.822SS**  trans-121.3100.8-178.8-1650000111.5
7L54.3Low52.6Low152 Ų152143.7 Ų143.780%0.79682%0.816SS**  trans17.8114.7144.7-67.7161.6000118.3T9L7-T9 PolarHBondContact O-N 3.33Å
8Y43.4Very low52.5Low213 Ų213141.4 Ų141.484%0.83581%0.806SS**  trans-74.5113.9160.2-167.7-93.3000109.5
9T59.5Low51.9Low100 Ų100142.5 Ų142.561%0.61380%0.803SS**  trans-110.9114.1173.251.20000111.1L7 H11L7-T9 PolarHBondContact O-N 3.33Å; T9-H11 PolarHBondContact O-N 2.93Å
10D42.3Very low51.7Low134 Ų134144.3 Ų144.372%0.71780%0.804SS**  trans-57.2134.4166.3-82.3-60.2000110.9
11H65.5Low51.2Low168 Ų168143.5 Ų143.578%0.77880%0.803SS**  trans-124.7104.7171.9-86.418.9000110T9T9-H11 PolarHBondContact O-N 2.93Å
12C51.6Low51.2Low125 Ų125137.1 Ų137.185%0.84579%0.788SS**  trans-66.4133173.2-62.60000110.9S14C12-S14 PolarHBondContact O-N 3.39Å
13C53.9Low50.7Low126 Ų126136.5 Ų136.585%0.85179%0.785SS**  trans-66128.9-174.9-171.30000112.6
14S53.8Low50.5Low105 Ų105142.3 Ų142.373%0.73479%0.791SS**  trans-124.4130.4162.4-76.60000109.3C12C12-S14 PolarHBondContact O-N 3.39Å
15P60.6Low49.7Very low127 Ų127138.2 Ų138.283%0.82579%0.786SS**  trans-79125.1-173.330.3-33.4000111.7
16M54.9Low49.3Very low171 Ų171138.7 Ų138.784%0.84278%0.783SS**  trans-73.5130172.5-70.4-153.677.400112V18M16-V18 HydrophobicContact CB-CG2 4.48Å
17N48.4Very low49.1Very low137 Ų137143.9 Ų143.973%0.73379%0.792SS**  trans-88.4108.8164.5177.234.9000109
18V51.8Low48.5Very low103 Ų103139.6 Ų139.662%0.62479%0.785SS**  trans-96.2106.1179.1178.90000109.8M16M16-V18 HydrophobicContact CB-CG2 4.48Å
19Q39.6Very low48.6Very low162 Ų162135.7 Ų135.776%0.75778%0.783SS**  trans-86.3119161.5-70.6-174.8-16.600108.8
20H48.8Very low47.7Very low177 Ų177138 Ų13882%0.81979%0.791SS**  trans-113.6110.7162.7-106.5-76.6000110.1
21T40.2Very low47.7Very low128 Ų128135.7 Ų135.779%0.78579%0.791SS**  trans-79.7134.1168.451.20000110.2
22A48Very low46.6Very low105 Ų105133 Ų13387%0.86879%0.791SS**  trans-140.6138.6158.900000109
23N42.3Very low46.3Very low147 Ų147131.6 Ų131.679%0.78678%0.783SS**  trans-135.2115.1-160.8176.722.6000110.5
24Y41.9Very low45.7Very low237 Ų237134.2 Ų134.293%0.92978%0.783SS**  trans-156.4140.6167.9-81.2-83.2000107.1
25G42.3Very low45.3Very low70 Ų70133.9 Ų133.972%0.72278%0.78SS**  cis169.8126.7-4.200000108.5
26S38.9Very low44.7Very low118 Ų118132.7 Ų132.783%0.82578%0.775SS**  trans-74150.7-168-56.90000115.7
27K50Low44.2Very low216 Ų216134.1 Ų134.194%0.93978%0.777SS**  trans142.7144.1153-80.7161.2-174.7-1750108.7
28G41.6Very low44.2Very low63 Ų63131.9 Ų131.965%0.64978%0.777SS**  cis159.3121.6-4.600000111.1
29T45.5Very low43.9Very low130 Ų130133.2 Ų133.280%0.79879%0.788SS**  trans64.8134.5157.858.50000122.4
30N40.5Very low43.9Very low148 Ų148135.9 Ų135.979%0.79179%0.793SS**  trans86.8107.9141.8-62.1-8.6000122.5
31A41.6Very low43.5Very low86 Ų86137.6 Ų137.671%0.71180%0.797SS**  74.6116.9116.900000122
32S42Very low43.6Very low112 Ų112135.8 Ų135.878%0.78380%0.796SS**  trans84.4138.9133.6-60.80000122
33S45.5Very low43Very low96 Ų96135.4 Ų135.467%0.67179%0.787SS**  trans62.8108.3150.750.10000120
34E41.8Very low43.3Very low180 Ų180140.2 Ų140.284%0.84179%0.794SS**  77.5114.5124.2-78.2169100.200122.3
35S46.2Very low43.2Very low98 Ų98135.8 Ų135.869%0.68579%0.786SS**  85.6115.5116.3-157.60000119.6
36S48.2Very low43Very low103 Ų103137.9 Ų137.972%0.7279%0.79SS**  trans86.4125.3137.4-66.90000121.6
37K44.3Very low43.1Very low201 Ų201137.9 Ų137.987%0.87479%0.787SS**  trans75.5104.1140.6-86.2177.6172.4172.70120
38A47.8Very low42.4Very low89 Ų89135 Ų13574%0.73678%0.782SS**  100.7147.4115.400000117.2
39P45.7Very low42.4Very low131 Ų131137 Ų13785%0.85179%0.786SS**  trans-107.1150.7-159.538.7-29.6000112.9
40Y39.8Very low42.2Very low219 Ų219135.1 Ų135.186%0.85978%0.778SS**  trans-122.8132162.364.5-86.5000110.6
41K38.7Very low42.3Very low212 Ų212134.9 Ų134.992%0.92278%0.782SS**  trans-79.7140.9172.2-69.9-176.5174.6-176.80109.3
42A42.9Very low42.5Very low91 Ų91138.5 Ų138.575%0.75278%0.784SS**  trans-134.3113.8157.200000108.7
43S34.8Very low42.3Very low97 Ų97142.1 Ų142.168%0.67879%0.786SS**  trans-79.2138.1177.9-174.20000110.8N45S43-N45 PolarHBondContact OG-OD1 3.28Å
44R48.7Very low42.3Very low247 Ų247143.1 Ų143.193%0.93279%0.789SS**  trans-138.8129.7154.1-66.4-166.7-172.4-1573.1108.7
45N41Very low42.3Very low144 Ų144136.2 Ų136.277%0.7777%0.766SS**  trans-90.5174-172.1-63.3-27.4000112.4S43S43-N45 PolarHBondContact OG-OD1 3.28Å
46S36.6Very low43.1Very low115 Ų115138.4 Ų138.480%0.80477%0.768SS**  trans88.4145164.2-122.70000116.7
47P42.9Very low43.6Very low118 Ų118141.6 Ų141.677%0.76677%0.769SS**  -129.1139.8-82.931.6-15.5000113.2
48D35Very low44.2Very low154 Ų154136.3 Ų136.382%0.82475%0.75SS**  trans-87.8125.4-178.2-167.76.6000112.2S50D48-S50 PolarHBondContact O-N 3.28Å
49S40Very low44.8Very low107 Ų107135.9 Ų135.975%0.74874%0.738SS**  trans-90.971.8-177.4520000111V51S49-V51 PolarHBondContact O-N 3.42Å
50S41.6Very low45.5Very low90 Ų90135.4 Ų135.463%0.62973%0.725SS**  trans-66.9106-179.8640000112.7D48 Q52D48-S50 PolarHBondContact O-N 3.28Å; S50-Q52 PolarHBondContact O-N 3.39Å; S50-Q52 VanDerWaalsContact O-N 3.16Å
51V44.1Very low46.4Very low143 Ų143131.2 Ų131.287%0.86771%0.713SS**  trans-72.9101.7170.8178.10000108.8S49 F53S49-V51 PolarHBondContact O-N 3.42Å; V51-F53 PolarHBondContact O-N 3.22Å
52Q45.7Very low47.3Very low162 Ų162129 Ų12976%0.75770%0.699SS**  trans-72.9119.6178-75.5-159.93.200112.4S50 T54S50-Q52 PolarHBondContact O-N 3.39Å; S50-Q52 VanDerWaalsContact O-N 3.16Å; Q52-T54 PolarHBondContact O-N 2.74Å
53F36.7Very low48Very low187 Ų187131.9 Ų131.982%0.8269%0.694SS**  trans-73.4100.1173.3179.2-93.4000110.9V51 G55V51-F53 PolarHBondContact O-N 3.22Å; F53-G55 VanDerWaalsContact C-N 3.29Å; F53-G55 PolarHBondContact O-N 3.35Å
54T46.1Very low49.4Very low118 Ų118135.8 Ų135.872%0.72469%0.694SS**  trans-90.736178.452.30000114Q52 I56Q52-T54 PolarHBondContact O-N 2.74Å; T54-I56 PolarHBondContact O-N 3.24Å
55G42Very low49.9Very low35 Ų35128.2 Ų128.236%0.36168%0.684SS.*THydrogen-bonded Turntrans-77.1103.2172.500000112.2F53F53-G55 VanDerWaalsContact C-N 3.29Å; F53-G55 PolarHBondContact O-N 3.35Å
56I62.4Low50.8Low143 Ų143128 Ų12873%0.73368%0.682SS**THydrogen-bonded Turntrans-168.5-36.7158-97.5143.5000111.1T54T54-I56 PolarHBondContact O-N 3.24Å
57K58.8Low52Low171 Ų171128.5 Ų128.574%0.74368%0.681SS**THydrogen-bonded Turntrans-71-38.6-171.7-67.2-179.5-179.7176.10113.7V59 Q60K57-V59 PolarHBondContact O-N 2.94Å; K57-Q60 PolarHBondContact O-N 3.23Å
58D56.9Low52.5Low90 Ų90128.8 Ų128.848%0.48168%0.676SS.*Hα-helixtrans-62.5-14.2-178.8-53.4-64000114.9R62D58-R62 WeakPolarHBondContact O-CB 3.48Å; D58-R62 WeakPolarHBondContact O-CG 3.28Å; D58-R62 PolarHBondContact O-NE 3.42Å
59V60.2Low53.4Low80 Ų80127.7 Ų127.749%0.48567%0.669SS.*Hα-helixtrans-81.1-29.3178.7-177.10000111K57 K63K57-V59 PolarHBondContact O-N 2.94Å; V59-K63 PolarHBondContact O-N 3.12Å
60Q60.5Low54.4Low120 Ų120130.4 Ų130.456%0.56167%0.668SS**Hα-helixtrans-76.2-37.6-178.4-153.781.3-500111.6K57 K63 R64K57-Q60 PolarHBondContact O-N 3.23Å; Q60-K63 PolarHBondContact O-N 2.97Å; Q60-R64 PolarHBondContact O-N 3.46Å
61E59.7Low54.9Low131 Ų131130 Ų13061%0.61267%0.666SS**Hα-helixtrans-75.6-40.8178.2-75.5170.6154.400112.1K63 R64 A65E61-K63 PolarHBondContact O-N 2.88Å; E61-K63 VanDerWaalsContact O-N 3.16Å; E61-R64 PolarHBondContact O-N 2.86Å; E61-A65 PolarHBondContact O-N 3.28Å
62R55.9Low55.3Low166 Ų166130.8 Ų130.863%0.62667%0.665SS**Hα-helixtrans-61.4-21.5170.5-76.7-178-73.9-177.7-7.6113.6D58D58-R62 WeakPolarHBondContact O-CB 3.48Å; D58-R62 WeakPolarHBondContact O-CG 3.28Å; D58-R62 PolarHBondContact O-NE 3.42Å
63K59.5Low55.6Low151 Ų151128.3 Ų128.366%0.65767%0.665SS**Hα-helixtrans-77.6-24.3171-93.4-176.3170.7-177.60114.2V59 Q60 E61V59-K63 PolarHBondContact O-N 3.12Å; Q60-K63 PolarHBondContact O-N 2.97Å; E61-K63 PolarHBondContact O-N 2.88Å; E61-K63 VanDerWaalsContact O-N 3.16Å
64R62.3Low56.6Low179 Ų179129 Ų12968%0.67567%0.668SS**Hα-helixtrans-84.4-27.5176.5-70-173.8173.9120-5112.8Q60 E61 L66 T67Q60-R64 PolarHBondContact O-N 3.46Å; E61-R64 PolarHBondContact O-N 2.86Å; R64-L66 PolarHBondContact O-N 2.92Å; R64-L66 VanDerWaalsContact O-N 3.12Å; R64-T67 PolarHBondContact O-OG1 3.49Å; R64-T67 VanDerWaalsContact O-OG1 3.13Å
65A60.7Low57Low88 Ų88128.8 Ų128.873%0.72767%0.671SS**THydrogen-bonded Turntrans-7615.8176.200000115.1E61E61-A65 PolarHBondContact O-N 3.28Å
66L58.6Low57.5Low139 Ų139135 Ų13573%0.72870%0.695SS**THydrogen-bonded Turntrans-107.27.7178.3-68.4174.1000113.4R64 L68R64-L66 PolarHBondContact O-N 2.92Å; R64-L66 VanDerWaalsContact O-N 3.12Å; L66-L68 PolarHBondContact O-N 3.28Å
67T62.2Low56.8Low126 Ų126139.9 Ų139.977%0.77370%0.703SS**  trans-78.4110.5175.9-37.20000108.7R64 D69R64-T67 PolarHBondContact O-OG1 3.49Å; R64-T67 VanDerWaalsContact O-OG1 3.13Å; T67-D69 PolarHBondContact O-N 3.41Å
68L53.9Low56.6Low125 Ų125141.3 Ų141.365%0.65471%0.71SS**  trans-85.8107.4-175.4-151.6170.4000109L66 F70L66-L68 PolarHBondContact O-N 3.28Å; L68-F70 HydrophobicContact CB-CE2 4.38Å; L68-F70 HydrophobicContact CD1-CZ 4.42Å; L68-F70 HydrophobicContact CD2-CD1 4.28Å; L68-F70 HydrophobicContact CD2-CD2 4.43Å; L68-F70 HydrophobicContact CD2-CE1 3.94Å; L68-F70 HydrophobicContact CD2-CE2 4.1Å; L68-F70 HydrophobicContact CD2-CZ 3.85Å; L68-F70 WeakPolarHBondContact O-CD2 3.36Å
69D54.7Low56.2Low130 Ų130144.1 Ų144.170%0.69573%0.73SS**  trans-83.2132-179.5-154.9-29.6000110.4T67 S71T67-D69 PolarHBondContact O-N 3.41Å; D69-S71 VanDerWaalsContact CG-OG 3.27Å; D69-S71 PolarHBondContact OD1-OG 3.19Å
70F59.2Low55.5Low165 Ų165147 Ų14772%0.72474%0.743SS**  trans-10831.2-171.2-74.1-80.4000112.8L68 S73L68-F70 HydrophobicContact CB-CE2 4.38Å; L68-F70 HydrophobicContact CD1-CZ 4.42Å; L68-F70 HydrophobicContact CD2-CD1 4.28Å; L68-F70 HydrophobicContact CD2-CD2 4.43Å; L68-F70 HydrophobicContact CD2-CE1 3.94Å; L68-F70 HydrophobicContact CD2-CE2 4.1Å; L68-F70 HydrophobicContact CD2-CZ 3.85Å; L68-F70 WeakPolarHBondContact O-CD2 3.36Å; F70-S73 PolarHBondContact O-OG 2.91Å
71S53Low55Low82 Ų82145.8 Ų145.857%0.57374%0.74SS**  trans-85.3-17.9-170.2280000115.4D69 S73D69-S71 VanDerWaalsContact CG-OG 3.27Å; D69-S71 PolarHBondContact OD1-OG 3.19Å; S71-S73 VanDerWaalsContact C-N 3.34Å; S71-S73 PolarHBondContact O-N 3.3Å; S71-S73 VanDerWaalsContact O-N 3.16Å
72D51.7Low55.2Low158 Ų158144.8 Ų144.885%0.84574%0.743SS**  trans-88.534.4-173.1-73-32.8000116K74D72-K74 PolarHBondContact O-N 3.15Å
73S52.9Low55.4Low110 Ų110144 Ų14477%0.76975%0.746SS**THydrogen-bonded Turntrans-72.418.2-169.9-62.60000116.6F70 S71F70-S73 PolarHBondContact O-OG 2.91Å; S71-S73 VanDerWaalsContact C-N 3.34Å; S71-S73 PolarHBondContact O-N 3.3Å; S71-S73 VanDerWaalsContact O-N 3.16Å
74K56.8Low55.7Low203 Ų203143 Ų14388%0.88374%0.744SS**THydrogen-bonded Turntrans-109.8-11.1-165.6-72.8-179178.1175.40117.3D72D72-K74 PolarHBondContact O-N 3.15Å
75S54.6Low55.8Low112 Ų112138 Ų13878%0.78373%0.733SS**SBendtrans-1135-169.2-59.50000116.6
76I52.2Low55.8Low167 Ų167138.6 Ų138.686%0.85672%0.724SS**  trans-121.162.9-177.4-44.7-179.9000111.2
77R48.9Very low56.1Low244 Ų244139.1 Ų139.192%0.92172%0.722SS**  trans-130.775.8160.6-68.9-153-67.1-155.52.4110.2
78K54Low56Low202 Ų202142.5 Ų142.588%0.87873%0.726SS**  trans-108.5115.1159.1-71.5-172.8176.8-175.90107.2L80K78-L80 PolarHBondContact O-N 2.69Å
79T49.2Very low56.2Low149 Ų149141.6 Ų141.691%0.91472%0.722SS**  trans-63109.1177.8440000109.3
80L45.7Very low55.8Low141 Ų141138 Ų13874%0.73872%0.716SS**  trans-97.4122.1169.1-176.964.2000107.4K78 T82K78-L80 PolarHBondContact O-N 2.69Å; L80-T82 PolarHBondContact O-N 3.41Å
81D49Very low55.5Low93 Ų93135.4 Ų135.450%0.49771%0.708SS.*  trans-69.7124.5-166.5-142.2-34.4000111.5Q83D81-Q83 PolarHBondContact O-N 3.43Å
82T63.6Low55Low111 Ų111136 Ų13668%0.68171%0.713SS**Hα-helixtrans-70.7-17.1-175.643.40000112.4L80 L86L80-T82 PolarHBondContact O-N 3.41Å; T82-L86 PolarHBondContact O-N 2.99Å
83Q60.6Low55Low150 Ų150131.5 Ų131.570%0.70169%0.694SS**Hα-helixtrans-72.6-41.8-180-169.3170.3-9.800113D81 V85 L86 Q87D81-Q83 PolarHBondContact O-N 3.43Å; Q83-V85 PolarHBondContact O-N 2.98Å; Q83-L86 PolarHBondContact O-N 3.13Å; Q83-Q87 PolarHBondContact O-N 3.33Å
84E66.3Low55.5Low129 Ų129131.4 Ų131.460%0.60369%0.691SS**Hα-helixtrans-67.6-38.3-179.8-62.5-171.6153.600111.9L86 Q87 F88E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 2.85Å; E84-Q87 PolarHBondContact O-N 3.25Å; E84-F88 PolarHBondContact O-N 3.44Å
85V63.7Low55.6Low73 Ų73126.7 Ų126.744%0.44268%0.675SS.*Hα-helixtrans-63.2-39.1178.7177.30000111.3Q83 F88 L89Q83-V85 PolarHBondContact O-N 2.98Å; V85-F88 PolarHBondContact O-N 3.01Å; V85-L89 HydrophobicContact CG1-CD1 3.9Å; V85-L89 WeakPolarHBondContact O-CB 3.43Å; V85-L89 WeakPolarHBondContact O-CD1 3.39Å; V85-L89 PolarHBondContact O-N 2.9Å; V85-L89 VanDerWaalsContact O-N 3.08Å
86L60.8Low55.8Low102 Ų102127.7 Ų127.753%0.53467%0.666SS.*Hα-helixtrans-67.6-34.5177.1-78165.7000112.8T82 Q83 E84 L89T82-L86 PolarHBondContact O-N 2.99Å; Q83-L86 PolarHBondContact O-N 3.13Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 2.85Å; L86-L89 PolarHBondContact O-N 2.83Å
87Q64.7Low56.2Low149 Ų149126.7 Ų126.770%0.69666%0.657SS**Hα-helixtrans-73.4-38176.2-15816845.500111.7Q83 E84 L89 G90Q83-Q87 PolarHBondContact O-N 3.33Å; E84-Q87 PolarHBondContact O-N 3.25Å; Q87-L89 VanDerWaalsContact C-N 3.28Å; Q87-L89 PolarHBondContact O-N 2.85Å; Q87-G90 PolarHBondContact O-N 3.33Å
88F60Low56.8Low197 Ų197124 Ų12486%0.86465%0.647SS**Hα-helixtrans-67.8-24.3173.6-121.5-84.3000114E84 V85 G90E84-F88 PolarHBondContact O-N 3.44Å; V85-F88 PolarHBondContact O-N 3.01Å; F88-G90 VanDerWaalsContact C-N 3.28Å; F88-G90 PolarHBondContact O-N 2.85Å
89L58.1Low57Low107 Ų107121.2 Ų121.256%0.5664%0.635SS**THydrogen-bonded Turntrans-79.8-3.3177.8-93.1155.3000114V85 L86 Q87 L91V85-L89 HydrophobicContact CG1-CD1 3.9Å; V85-L89 WeakPolarHBondContact O-CB 3.43Å; V85-L89 WeakPolarHBondContact O-CD1 3.39Å; V85-L89 PolarHBondContact O-N 2.9Å; V85-L89 VanDerWaalsContact O-N 3.08Å; L86-L89 PolarHBondContact O-N 2.83Å; Q87-L89 VanDerWaalsContact C-N 3.28Å; Q87-L89 PolarHBondContact O-N 2.85Å; L89-L91 HydrophobicContact CB-CD1 4.39Å; L89-L91 HydrophobicContact CB-CG 4.22Å; L89-L91 PolarHBondContact O-N 3.22Å; L89-L91 VanDerWaalsContact O-N 3.15Å
90G47.5Very low57.5Low55 Ų55119 Ų11957%0.56762%0.617SS**THydrogen-bonded Turntrans6614.7174.700000114.8Q87 F88 S92Q87-G90 PolarHBondContact O-N 3.33Å; F88-G90 VanDerWaalsContact C-N 3.28Å; F88-G90 PolarHBondContact O-N 2.85Å; G90-S92 VanDerWaalsContact C-N 3.27Å; G90-S92 PolarHBondContact O-N 2.89Å
91L52.8Low58.2Low109 Ų109116.5 Ų116.557%0.57161%0.612SS**  trans-83.8-2.5-178.6-59.8-179.2000113.1L89 S93L89-L91 HydrophobicContact CB-CD1 4.39Å; L89-L91 HydrophobicContact CB-CG 4.22Å; L89-L91 PolarHBondContact O-N 3.22Å; L89-L91 VanDerWaalsContact O-N 3.15Å; L91-S93 PolarHBondContact O-N 3.44Å
92S41.8Very low58.8Low96 Ų96119.7 Ų119.767%0.67162%0.624SS**  trans-79.463.5169.860.40000111.4G90G90-S92 VanDerWaalsContact C-N 3.27Å; G90-S92 PolarHBondContact O-N 2.89Å
93S52.9Low58.4Low63 Ų63119.1 Ų119.144%0.44162%0.616SS.*  trans-133.8129.7167.7-168.40000110.7L91 D95 F96L91-S93 PolarHBondContact O-N 3.44Å; S93-D95 PolarHBondContact O-N 3.16Å; S93-F96 PolarHBondContact O-N 2.74Å
94P62.4Low58.1Low108 Ų108117.4 Ų117.470%0.70162%0.616SS**THydrogen-bonded Turntrans-59.7-8.1-173.4-27.135.8000117.4
95D58.6Low57.2Low104 Ų104115.3 Ų115.356%0.55662%0.62SS**Hα-helixtrans-75.6-22.7-179.1-67.1-54.9000114.1S93 E97 R98 F99S93-D95 PolarHBondContact O-N 3.16Å; D95-E97 VanDerWaalsContact C-N 3.33Å; D95-E97 PolarHBondContact O-N 3.48Å; D95-R98 PolarHBondContact O-N 2.88Å; D95-F99 PolarHBondContact O-N 3.28Å
96F58.1Low56.7Low133 Ų133118 Ų11858%0.58364%0.636SS**Hα-helixtrans-68.1-34.4-178.5-165.2-106.7000112.3S93 F99 L100S93-F96 PolarHBondContact O-N 2.74Å; F96-F99 PolarHBondContact O-N 2.94Å; F96-L100 HydrophobicContact CD1-CD1 3.82Å; F96-L100 HydrophobicContact CE1-CD1 3.65Å; F96-L100 HydrophobicContact CE1-CG 4.29Å; F96-L100 PolarHBondContact O-N 3Å; F96-L100 VanDerWaalsContact O-N 3.09Å
97E61.1Low56.2Low146 Ų146119 Ų11968%0.68265%0.647SS**Hα-helixtrans-66.5-39.9176.1-163.7167.8-14700111D95 L100 S101D95-E97 VanDerWaalsContact C-N 3.33Å; D95-E97 PolarHBondContact O-N 3.48Å; E97-L100 PolarHBondContact O-N 3.33Å; E97-S101 PolarHBondContact O-N 3.41Å; E97-S101 PolarHBondContact O-OG 3.13Å; E97-S101 VanDerWaalsContact O-OG 3.07Å
98R62.8Low55.1Low186 Ų186116.8 Ų116.870%0.70265%0.648SS**Hα-helixtrans-65.6-38.5173.2-67.9-165.7176.1-146.40.5112.9D95 L100 S101 Q102D95-R98 PolarHBondContact O-N 2.88Å; R98-L100 VanDerWaalsContact C-N 3.26Å; R98-L100 PolarHBondContact O-N 3.44Å; R98-S101 PolarHBondContact O-N 3.35Å; R98-Q102 VanDerWaalsContact O-CB 3.28Å; R98-Q102 WeakPolarHBondContact O-CB 3.45Å; R98-Q102 PolarHBondContact O-N 3.4Å
99F57.4Low54.3Low145 Ų145116.6 Ų116.664%0.63665%0.65SS**Hα-helixtrans-65-29.5175-106.2-86.4000113.3D95 F96 N103D95-F99 PolarHBondContact O-N 3.28Å; F96-F99 PolarHBondContact O-N 2.94Å; F99-N103 PolarHBondContact O-ND2 3.2Å
100L59.8Low53.8Low102 Ų102117 Ų11753%0.53466%0.656SS.*Hα-helixtrans-76.3-45.6171.3-74.7166.6000111.8F96 E97 R98 Q102 V104F96-L100 HydrophobicContact CD1-CD1 3.82Å; F96-L100 HydrophobicContact CE1-CD1 3.65Å; F96-L100 HydrophobicContact CE1-CG 4.29Å; F96-L100 PolarHBondContact O-N 3Å; F96-L100 VanDerWaalsContact O-N 3.09Å; E97-L100 PolarHBondContact O-N 3.33Å; R98-L100 VanDerWaalsContact C-N 3.26Å; R98-L100 PolarHBondContact O-N 3.44Å; L100-Q102 PolarHBondContact O-N 3.18Å; L100-V104 WeakPolarHBondContact O-CG2 3.36Å
101S59.6Low53.2Low89 Ų89120.6 Ų120.662%0.62267%0.67SS**Hα-helixtrans-63.9-37178.8-54.50000113.3E97 R98E97-S101 PolarHBondContact O-N 3.41Å; E97-S101 PolarHBondContact O-OG 3.13Å; E97-S101 VanDerWaalsContact O-OG 3.07Å; R98-S101 PolarHBondContact O-N 3.35Å
102Q61.2Low53Low160 Ų160120.5 Ų120.575%0.74867%0.674SS**Hα-helixtrans-85.3-23-171.6-164.8163.85.800114.1R98 L100R98-Q102 VanDerWaalsContact O-CB 3.28Å; R98-Q102 WeakPolarHBondContact O-CB 3.45Å; R98-Q102 PolarHBondContact O-N 3.4Å; L100-Q102 PolarHBondContact O-N 3.18Å
103N56.4Low53Low99 Ų99121.1 Ų121.153%0.52968%0.676SS.*Hα-helixtrans-90.3-11.9177.8-75.8-55.7000114.5F99 A105F99-N103 PolarHBondContact O-ND2 3.2Å; N103-A105 VanDerWaalsContact C-N 3.28Å; N103-A105 PolarHBondContact O-N 3.02Å
104V54.4Low53Low114 Ų114123.3 Ų123.369%0.69169%0.687SS**THydrogen-bonded Turntrans-72.5-17.2179.9162.70000113.2L100L100-V104 WeakPolarHBondContact O-CG2 3.36Å
105A46.8Very low52.5Low84 Ų84122.6 Ų122.669%0.69467%0.674SS**THydrogen-bonded Turntrans-88.6-13-172.800000116.3N103N103-A105 VanDerWaalsContact C-N 3.28Å; N103-A105 PolarHBondContact O-N 3.02Å
106V52.2Low52.1Low129 Ų129125.9 Ų125.978%0.78268%0.684SS**THydrogen-bonded Turntrans-124.3-8.3-168.5177.60000113.9
107V51.1Low51.9Low123 Ų123129.4 Ų129.475%0.74570%0.699SS**  trans-118.771.3177.9-170.90000109.9
108S42.7Very low51.1Low104 Ų104132.1 Ų132.173%0.72770%0.704SS**  trans-141.963.8-176.9-164.30000112.9
109Q42.6Very low50.8Low193 Ų193127.2 Ų127.290%0.90270%0.697SS**  trans-145.552.3164-69.4-162.310.200111.8
110T46.3Very low50.9Low114 Ų114129.8 Ų129.870%0.69971%0.708SS**SBendtrans-143126.2163.835.80000109.7T112T110-T112 PolarHBondContact O-N 2.74Å
111P37Very low51.2Low132 Ų132129.1 Ų129.186%0.85771%0.705SS**  trans-77.395-176.531.4-33.7000109.9
112T48.5Very low51.6Low107 Ų107129.3 Ų129.366%0.65670%0.702SS**  trans-141.197.8166.6-53.30000106.9T110 T114T110-T112 PolarHBondContact O-N 2.74Å; T112-T114 VanDerWaalsContact C-N 3.3Å; T112-T114 PolarHBondContact O-N 3.03Å; T112-T114 PolarHBondContact O-OG1 2.98Å
113P41.8Very low52.5Low108 Ų108124.8 Ų124.870%0.70169%0.686SS**  trans-67.392.4-173.526.6-33.3000109.7Q115P113-Q115 PolarHBondContact O-N 3.03Å
114T52.6Low53.7Low109 Ų109123.7 Ų123.767%0.66969%0.69SS**  trans-73.766.6165.1-53.30000107.5T112 F116T112-T114 VanDerWaalsContact C-N 3.3Å; T112-T114 PolarHBondContact O-N 3.03Å; T112-T114 PolarHBondContact O-OG1 2.98Å; T114-F116 WeakPolarHBondContact O-CD2 3.5Å; T114-F116 WeakPolarHBondContact O-CE2 3.25Å; T114-F116 WeakPolarHBondContact O-CG 3.27Å; T114-F116 PolarHBondContact O-N 3.24Å
115Q51.7Low54.9Low94 Ų94125.7 Ų125.744%0.43969%0.692SS.*  trans-83.977.7154.5-72.9-164.6-8.800106.9P113 P119 N121P113-Q115 PolarHBondContact O-N 3.03Å; Q115-P119 HydrophobicContact CB-CB 3.96Å; Q115-P119 WeakPolarHBondContact O-CD 3.35Å; Q115-N121 PolarHBondContact OE1-ND2 3.14Å
116F49.3Very low56.4Low172 Ų172126.9 Ų126.975%0.75468%0.683SS**  81.357.890.9-87.2-67.8000111.4T114 Y118T114-F116 WeakPolarHBondContact O-CD2 3.5Å; T114-F116 WeakPolarHBondContact O-CE2 3.25Å; T114-F116 WeakPolarHBondContact O-CG 3.27Å; T114-F116 PolarHBondContact O-N 3.24Å; F116-Y118 PolarHBondContact O-N 3.17Å
117F53.6Low57.8Low207 Ų207124.8 Ų124.891%0.90867%0.665SS**SBendtrans59.1-31.3173-86.8-93.4000118.6
118Y45.3Very low59.3Low203 Ų203126.1 Ų126.180%0.79666%0.663SS**SBendtrans-15695.3165.1-82.9-79.6000109F116 K120F116-Y118 PolarHBondContact O-N 3.17Å; Y118-K120 PolarHBondContact O-N 3.01Å
119P56Low61.3Low84 Ų84131.2 Ų131.255%0.54567%0.668SS.*  trans-69.6114170.828-29.5000108.8Q115 N121Q115-P119 HydrophobicContact CB-CB 3.96Å; Q115-P119 WeakPolarHBondContact O-CD 3.35Å; P119-N121 VanDerWaalsContact C-N 3.29Å
120K60.6Low63.4Low198 Ų198123.7 Ų123.786%0.86164%0.638SS**  trans-86-1.4178-72.2-168.3176.1-1740113.3Y118Y118-K120 PolarHBondContact O-N 3.01Å
121N65.7Low65.3Low89 Ų89124 Ų12448%0.47663%0.627SS.*SBendtrans-127.1121.4-167.946.2-76.3000109.3Q115 P119Q115-N121 PolarHBondContact OE1-ND2 3.14Å; P119-N121 VanDerWaalsContact C-N 3.29Å
122V67.5Low67.6Low92 Ų92120.2 Ų120.256%0.55861%0.612SS**  trans-74.3134.6-178.2-174.50000109Q126 E127V122-Q126 HydrophobicContact CG1-CB 3.61Å; V122-E127 HydrophobicContact CB-CG 4.18Å; V122-E127 HydrophobicContact CG1-CG 3.69Å
123T81.1Confident69.6Low66 Ų66122.6 Ų122.641%0.40561%0.614SS.*  trans-73.4144.5175.6-50.70000109.4E125 Q126 E127T123-E125 PolarHBondContact O-N 2.96Å; T123-E125 VanDerWaalsContact O-N 3.08Å; T123-Q126 VanDerWaalsContact CB-OE1 3.31Å; T123-Q126 CarbonylContact O-C 3.5Å; T123-Q126 WeakPolarHBondContact O-CA 3.28Å; T123-Q126 WeakPolarHBondContact O-CB 3.24Å; T123-Q126 PolarHBondContact O-N 3.4Å; T123-Q126 PolarHBondContact OG1-OE1 2.96Å; T123-Q126 VanDerWaalsContact OG1-OE1 3.05Å; T123-E127 PolarHBondContact O-N 3.29Å
124A80.8Confident71.8Confident75 Ų75121.1 Ų121.162%0.6260%0.599SS**Hα-helixtrans-53.8-34.4-178.600000113.9E127 Q128A124-E127 PolarHBondContact O-N 2.89Å; A124-Q128 WeakPolarHBondContact O-CB 3.19Å; A124-Q128 PolarHBondContact O-N 3.3Å
125E80.3Confident73.6Confident157 Ų157120.5 Ų120.573%0.73459%0.591SS**Hα-helixtrans-66.9-37172.8-172.7179.1-173.600112.8T123 Q128 Y129T123-E125 PolarHBondContact O-N 2.96Å; T123-E125 VanDerWaalsContact O-N 3.08Å; E125-Q128 PolarHBondContact O-N 2.87Å; E125-Y129 WeakPolarHBondContact O-CB 3.43Å; E125-Y129 PolarHBondContact O-N 3.3Å
126Q78.5Confident75.4Confident109 Ų109118 Ų11851%0.50959%0.587SS.*Hα-helixtrans-70.5-35.8174.3-65.3172.1-48.600111.5V122 T123 A130V122-Q126 HydrophobicContact CG1-CB 3.61Å; T123-Q126 VanDerWaalsContact CB-OE1 3.31Å; T123-Q126 CarbonylContact O-C 3.5Å; T123-Q126 WeakPolarHBondContact O-CA 3.28Å; T123-Q126 WeakPolarHBondContact O-CB 3.24Å; T123-Q126 PolarHBondContact O-N 3.4Å; T123-Q126 PolarHBondContact OG1-OE1 2.96Å; T123-Q126 VanDerWaalsContact OG1-OE1 3.05Å; Q126-A130 VanDerWaalsContact O-CB 3.29Å; Q126-A130 WeakPolarHBondContact O-CB 3.37Å; Q126-A130 PolarHBondContact O-N 3.45Å
127E81.2Confident77.2Confident84 Ų84113.6 Ų113.639%0.39357%0.571SS.*Hα-helixtrans-61.9-46.2168.8-69.5-166.7-167.900110.9V122 T123 A124 Y129 A130 R131V122-E127 HydrophobicContact CB-CG 4.18Å; V122-E127 HydrophobicContact CG1-CG 3.69Å; T123-E127 PolarHBondContact O-N 3.29Å; A124-E127 PolarHBondContact O-N 2.89Å; E127-Y129 VanDerWaalsContact C-N 3.34Å; E127-Y129 PolarHBondContact O-N 3.09Å; E127-A130 CarbonylContact O-C 3.6Å; E127-A130 WeakPolarHBondContact O-CA 3.48Å; E127-A130 PolarHBondContact O-N 2.8Å; E127-R131 WeakPolarHBondContact O-CG 3.48Å; E127-R131 PolarHBondContact O-N 3.28Å; E127-R131 IonicContact OE2-CZ 3.72Å; E127-R131 IonicContact OE2-NH1 3.92Å; E127-R131 IonicContact OE2-NH2 2.8Å; E127-R131 PolarHBondContact OE2-NH2 2.92Å
128Q83.3Confident78.8Confident151 Ų151107.3 Ų107.371%0.70655%0.547SS*.Hα-helixtrans-64-38.5-179.1-167165.2-500112.2A124 E125 R131A124-Q128 WeakPolarHBondContact O-CB 3.19Å; A124-Q128 PolarHBondContact O-N 3.3Å; E125-Q128 PolarHBondContact O-N 2.87Å; Q128-R131 PolarHBondContact O-N 2.92Å
129Y84.4Confident80.7Confident212 Ų212103.3 Ų103.383%0.83154%0.535SS*.Hα-helixtrans-62.9-40.2169.4-174.6-96000112.1E125 E127E125-Y129 WeakPolarHBondContact O-CB 3.43Å; E125-Y129 PolarHBondContact O-N 3.3Å; E127-Y129 VanDerWaalsContact C-N 3.34Å; E127-Y129 PolarHBondContact O-N 3.09Å
130A87Confident81.8Confident35 Ų35103.4 Ų103.429%0.28953%0.53SS..Hα-helixtrans-73.7-22.5177.800000114Q126 E127 G132 F133 I134Q126-A130 VanDerWaalsContact O-CB 3.29Å; Q126-A130 WeakPolarHBondContact O-CB 3.37Å; Q126-A130 PolarHBondContact O-N 3.45Å; E127-A130 CarbonylContact O-C 3.6Å; E127-A130 WeakPolarHBondContact O-CA 3.48Å; E127-A130 PolarHBondContact O-N 2.8Å; A130-G132 VanDerWaalsContact C-N 3.32Å; A130-G132 PolarHBondContact O-N 2.91Å; A130-F133 WeakPolarHBondContact O-CA 3.42Å; A130-F133 WeakPolarHBondContact O-CB 3.48Å; A130-F133 PolarHBondContact O-N 2.89Å; A130-I134 HydrophobicContact CB-CD1 3.97Å; A130-I134 WeakPolarHBondContact O-CG1 3.46Å; A130-I134 PolarHBondContact O-N 2.91Å
131R84.8Confident82.6Confident119 Ų11999 Ų9945%0.44951%0.513SS..Hα-helixtrans-57.3-41.1-176.8-67.2-150.2-164.6-65.8-14112.6E127 Q128 F133 I134 D135E127-R131 WeakPolarHBondContact O-CG 3.48Å; E127-R131 PolarHBondContact O-N 3.28Å; E127-R131 IonicContact OE2-CZ 3.72Å; E127-R131 IonicContact OE2-NH1 3.92Å; E127-R131 IonicContact OE2-NH2 2.8Å; E127-R131 PolarHBondContact OE2-NH2 2.92Å; Q128-R131 PolarHBondContact O-N 2.92Å; R131-F133 PolarHBondContact O-N 3.28Å; R131-F133 VanDerWaalsContact O-N 3.17Å; R131-I134 PolarHBondContact O-N 3.5Å; R131-I134 VanDerWaalsContact O-N 3.12Å; R131-D135 VanDerWaalsContact O-CB 3.31Å; R131-D135 WeakPolarHBondContact O-CB 3.39Å; R131-D135 PolarHBondContact O-N 3.46Å
132G86.2Confident83.1Confident54 Ų54102.5 Ų102.556%0.55753%0.526SS*.Hα-helixtrans-58.7-30.8175.300000114A130 A136A130-G132 VanDerWaalsContact C-N 3.32Å; A130-G132 PolarHBondContact O-N 2.91Å; G132-A136 WeakPolarHBondContact O-CB 3.35Å; G132-A136 PolarHBondContact O-N 3.44Å
133F89.5Confident83.1Confident157 Ų157105.2 Ų105.269%0.68954%0.535SS*.Hα-helixtrans-81.2-39.5175.4-131.9-84.7000112A130 R131 L137A130-F133 WeakPolarHBondContact O-CA 3.42Å; A130-F133 WeakPolarHBondContact O-CB 3.48Å; A130-F133 PolarHBondContact O-N 2.89Å; R131-F133 PolarHBondContact O-N 3.28Å; R131-F133 VanDerWaalsContact O-N 3.17Å; F133-L137 HydrophobicContact CD1-CD1 4.28Å; F133-L137 WeakPolarHBondContact O-CB 3.45Å; F133-L137 WeakPolarHBondContact O-CG 3.48Å; F133-L137 PolarHBondContact O-N 3.36Å
134I88.3Confident81.9Confident77 Ų77110.9 Ų110.940%0.39555%0.549SS..Hα-helixtrans-66.8-43.1178-65.8163000110.8A130 R131 L137 N138A130-I134 HydrophobicContact CB-CD1 3.97Å; A130-I134 WeakPolarHBondContact O-CG1 3.46Å; A130-I134 PolarHBondContact O-N 2.91Å; R131-I134 PolarHBondContact O-N 3.5Å; R131-I134 VanDerWaalsContact O-N 3.12Å; I134-L137 PolarHBondContact O-N 3.13Å; I134-N138 WeakPolarHBondContact O-CB 3.47Å; I134-N138 PolarHBondContact O-N 3.03Å
135D90.2Very high80.6Confident95 Ų95111.3 Ų111.351%0.50856%0.56SS.*Hα-helixtrans-67.6-39.8178.5-66.5-22.7000110.9R131 N138 Q139R131-D135 VanDerWaalsContact O-CB 3.31Å; R131-D135 WeakPolarHBondContact O-CB 3.39Å; R131-D135 PolarHBondContact O-N 3.46Å; D135-N138 PolarHBondContact O-N 3.44Å; D135-Q139 WeakPolarHBondContact O-CB 3.43Å; D135-Q139 PolarHBondContact O-N 3.5Å
136A89.2Confident79.1Confident42 Ų42111 Ų11135%0.34756%0.557SS.*Hα-helixtrans-63.1-41.417200000112.2G132 Q139 I140G132-A136 WeakPolarHBondContact O-CB 3.35Å; G132-A136 PolarHBondContact O-N 3.44Å; A136-Q139 PolarHBondContact O-N 3.45Å; A136-I140 WeakPolarHBondContact O-CD1 3.24Å; A136-I140 VanDerWaalsContact O-CG1 3.25Å; A136-I140 WeakPolarHBondContact O-CG1 3.28Å; A136-I140 PolarHBondContact O-N 3.39Å
137L88.3Confident78.2Confident79 Ų79110.9 Ų110.941%0.41456%0.563SS.*Hα-helixtrans-66.1-41.4174.5-74.5171.5000112.1F133 I134 Q139 I140 H141F133-L137 HydrophobicContact CD1-CD1 4.28Å; F133-L137 WeakPolarHBondContact O-CB 3.45Å; F133-L137 WeakPolarHBondContact O-CG 3.48Å; F133-L137 PolarHBondContact O-N 3.36Å; I134-L137 PolarHBondContact O-N 3.13Å; L137-Q139 VanDerWaalsContact C-N 3.35Å; L137-Q139 PolarHBondContact O-N 3.3Å; L137-I140 PolarHBondContact O-N 3.49Å; L137-H141 VanDerWaalsContact O-CG 3.25Å; L137-H141 PolarHBondContact O-N 2.93Å; L137-H141 PolarHBondContact O-ND1 2.91Å
138N85.9Confident76.7Confident76 Ų76111.7 Ų111.741%0.40658%0.576SS.*Hα-helixtrans-62.4-40.9173.5-85.1-23.3000111.9I134 D135 I140 H141 Q142I134-N138 WeakPolarHBondContact O-CB 3.47Å; I134-N138 PolarHBondContact O-N 3.03Å; D135-N138 PolarHBondContact O-N 3.44Å; N138-I140 VanDerWaalsContact C-N 3.34Å; N138-H141 PolarHBondContact O-N 2.86Å; N138-Q142 WeakPolarHBondContact O-CB 3.37Å; N138-Q142 VanDerWaalsContact O-CG 3.26Å; N138-Q142 WeakPolarHBondContact O-CG 3.46Å; N138-Q142 PolarHBondContact O-N 2.9Å
139Q86.3Confident74.8Confident118 Ų118111.4 Ų111.455%0.55158%0.576SS**Hα-helixtrans-64.1-39.3173.8-172.5178.161.800111.5D135 A136 L137 Q142 M143D135-Q139 WeakPolarHBondContact O-CB 3.43Å; D135-Q139 PolarHBondContact O-N 3.5Å; A136-Q139 PolarHBondContact O-N 3.45Å; L137-Q139 VanDerWaalsContact C-N 3.35Å; L137-Q139 PolarHBondContact O-N 3.3Å; Q139-Q142 PolarHBondContact O-N 3.47Å; Q139-M143 HydrophobicContact CG-CG 4.29Å; Q139-M143 WeakPolarHBondContact O-CB 3.36Å; Q139-M143 WeakPolarHBondContact O-CG 3.29Å; Q139-M143 PolarHBondContact O-N 3.2Å
140I78.4Confident72.7Confident86 Ų86105.5 Ų105.544%0.44157%0.566SS.*Hα-helixtrans-64.2-43.1173.9-70.8163.4000111A136 L137 N138 Q142 R144A136-I140 WeakPolarHBondContact O-CD1 3.24Å; A136-I140 VanDerWaalsContact O-CG1 3.25Å; A136-I140 WeakPolarHBondContact O-CG1 3.28Å; A136-I140 PolarHBondContact O-N 3.39Å; L137-I140 PolarHBondContact O-N 3.49Å; N138-I140 VanDerWaalsContact C-N 3.34Å; I140-Q142 VanDerWaalsContact C-N 3.32Å; I140-Q142 PolarHBondContact O-N 3.19Å; I140-R144 WeakPolarHBondContact O-CB 3.45Å; I140-R144 PolarHBondContact O-N 3.24Å
141H77.6Confident70.4Confident106 Ų106110.8 Ų110.849%0.49159%0.59SS.*Hα-helixtrans-66.9-29.5176.1-64.8154.9000113.5L137 N138 R144L137-H141 VanDerWaalsContact O-CG 3.25Å; L137-H141 PolarHBondContact O-N 2.93Å; L137-H141 PolarHBondContact O-ND1 2.91Å; N138-H141 PolarHBondContact O-N 2.86Å; H141-R144 CarbonylContact C-O 3.58Å; H141-R144 VanDerWaalsContact O-O 3.06Å
142Q76.7Confident68.2Low162 Ų162111.9 Ų111.976%0.75760%0.604SS**Hα-helixtrans-79.7-40.5175.3-72.1170.53900112.4N138 Q139 I140N138-Q142 WeakPolarHBondContact O-CB 3.37Å; N138-Q142 VanDerWaalsContact O-CG 3.26Å; N138-Q142 WeakPolarHBondContact O-CG 3.46Å; N138-Q142 PolarHBondContact O-N 2.9Å; Q139-Q142 PolarHBondContact O-N 3.47Å; I140-Q142 VanDerWaalsContact C-N 3.32Å; I140-Q142 PolarHBondContact O-N 3.19Å
143M66.2Low66.2Low150 Ų150117.9 Ų117.974%0.73962%0.619SS**Hα-helixtrans-84.8-14.7-178.7-65.9-133.6-57.500114Q139Q139-M143 HydrophobicContact CG-CG 4.29Å; Q139-M143 WeakPolarHBondContact O-CB 3.36Å; Q139-M143 WeakPolarHBondContact O-CG 3.29Å; Q139-M143 PolarHBondContact O-N 3.2Å
144R57.2Low63.7Low184 Ų184115.9 Ų115.969%0.69463%0.625SS**SBendtrans-133.9122.5174.5-66.2-174.1166.4156.9-1.1109I140 H141 F146I140-R144 WeakPolarHBondContact O-CB 3.45Å; I140-R144 PolarHBondContact O-N 3.24Å; H141-R144 CarbonylContact C-O 3.58Å; H141-R144 VanDerWaalsContact O-O 3.06Å; R144-F146 PolarHBondContact O-N 3.29Å
145G52.8Low61.4Low84 Ų84118.2 Ų118.287%0.86665%0.645SS**  trans-67.160.616900000112V147G145-V147 VanDerWaalsContact C-N 3.3Å; G145-V147 PolarHBondContact O-N 2.9Å
146F49.7Very low58.7Low151 Ų151117.6 Ų117.666%0.66266%0.661SS**  trans-81.182.2177.8-164.2-93.4000108.3R144 P148R144-F146 PolarHBondContact O-N 3.29Å; F146-P148 WeakPolarHBondContact O-CD 3.34Å
147V58.7Low56.4Low107 Ų107124.2 Ų124.265%0.64868%0.683SS**  trans-52.8125164.5-179.90000107.3G145 M149G145-V147 VanDerWaalsContact C-N 3.3Å; G145-V147 PolarHBondContact O-N 2.9Å; V147-M149 VanDerWaalsContact C-N 3.32Å; V147-M149 PolarHBondContact O-N 3.46Å
148P50.4Low54.3Low100 Ų100126.4 Ų126.465%0.64970%0.699SS**  trans-62.399.8166.9-17.831.4000107.6F146 S150F146-P148 WeakPolarHBondContact O-CD 3.34Å; P148-S150 PolarHBondContact O-N 3.32Å; P148-S150 PolarHBondContact O-OG 2.92Å
149M44.1Very low52Low145 Ų145127 Ų12771%0.71471%0.709SS**  trans-70.168.5167-92.1-78.1-15700108.8V147 N151V147-M149 VanDerWaalsContact C-N 3.32Å; V147-M149 PolarHBondContact O-N 3.46Å; M149-N151 PolarHBondContact O-N 2.97Å
150S39Very low49.6Very low89 Ų89129.2 Ų129.262%0.62273%0.725SS**  trans-52129.7145.149.10000107.1P148P148-S150 PolarHBondContact O-N 3.32Å; P148-S150 PolarHBondContact O-OG 2.92Å
151N38.5Very low48Very low146 Ų146131.1 Ų131.178%0.78174%0.74SS**SBendtrans85.166.6-174.7-42.8-29.4000115.4M149M149-N151 PolarHBondContact O-N 2.97Å
152L39.2Very low46.5Very low142 Ų142132.3 Ų132.374%0.74376%0.755SS**SBendtrans-168.1130.7139.3-97.8136.9000110
153M44.3Very low44.8Very low180 Ų180128.8 Ų128.889%0.88775%0.753SS**  trans85.5101.5171.3-41.5-126.980.700118.7
154S36.5Very low43.6Very low115 Ų115130.6 Ų130.680%0.80476%0.76SS**  trans-54.5162.9149.4-55.10000111.8
155P39.7Very low42.9Very low125 Ų125125.6 Ų125.681%0.81276%0.758SS**  cis-138.815520.539.6-21000117.5
156G34Very low42.3Very low83 Ų83128.4 Ų128.486%0.85675%0.753SS**  trans80.279.9150.400000117.6
157F40.1Very low42.2Very low181 Ų181129.5 Ų129.579%0.79476%0.758SS**  trans-126.8120.6148.2-167.6-100.8000109.5S159F157-S159 PolarHBondContact O-N 3.39Å; F157-S159 VanDerWaalsContact O-N 3.14Å
158V44.7Very low41.8Very low125 Ų125131.6 Ų131.676%0.75876%0.761SS**  trans-78.492.6172.2-81.50000108.8N160V158-N160 PolarHBondContact O-N 2.96Å
159S38.6Very low41.5Very low88 Ų88133.9 Ų133.962%0.61577%0.767SS**  trans-67.279.9169.7-62.60000110.9F157 T161F157-S159 PolarHBondContact O-N 3.39Å; F157-S159 VanDerWaalsContact O-N 3.14Å; S159-T161 PolarHBondContact O-N 3.28Å
160N35.6Very low41.6Very low165 Ų165130.9 Ų130.988%0.88277%0.766SS**  trans-76.169.5158.7-98.924.9000108.7V158V158-N160 PolarHBondContact O-N 2.96Å
161T44.9Very low42.1Very low125 Ų125136.4 Ų136.477%0.76778%0.778SS**PPolyproline II helixtrans-82.7122.8163.4-57.30000107.8S159S159-T161 PolarHBondContact O-N 3.28Å
162V45.8Very low42Very low131 Ų131135.6 Ų135.679%0.79478%0.781SS**PPolyproline II helixtrans-66.1153.8179.673.40000111.3
163A40.3Very low42Very low88 Ų88137 Ų13773%0.72779%0.788SS**PPolyproline II helixtrans-53.5137.3-173.900000115.4
164Q42.6Very low41.4Very low188 Ų188136.6 Ų136.688%0.87979%0.789SS**  trans-166.5106.7130.7-101.4175.4-52.600105.3
165A40.7Very low41.3Very low80 Ų80134.5 Ų134.566%0.66179%0.786SS**  100.4129.972.600000110.8
166D40.5Very low41.2Very low142 Ų142133 Ų13376%0.75978%0.784SS**  trans97.2113.8159.2-56-21.5000120.3
167K48.3Very low41.5Very low175 Ų175139.7 Ų139.776%0.76179%0.79SS**  trans65.8137.8136-66.3-178.7179.2177.50119.3
168E50.6Low41.2Very low151 Ų151138.3 Ų138.371%0.70679%0.786SS**  cis-149.4173.1-20.7-79.2-69.110900104.9
169D43.4Very low41Very low147 Ų147138.5 Ų138.579%0.78678%0.778SS**  trans69.7117.7151.1-68.3-44.3000123.7
170A45.7Very low41.2Very low83 Ų83142.7 Ų142.769%0.68679%0.788SS**  89.283.5128.500000121.9
171K49.8Very low41.3Very low204 Ų204144.8 Ų144.889%0.88779%0.79SS**  66.3127123.2-68.1168.5-177.9170.70120.3
172P36.9Very low40.8Very low129 Ų129146 Ų14684%0.83879%0.791SS**  trans-91158.7178.537.8-35.4000113.3
173L40.3Very low40.4Very low171 Ų171144.3 Ų144.390%0.89579%0.79SS**  trans-140.2132.2163.7-156.685.8000112.3
174L30.2Very low40Very low172 Ų172148.5 Ų148.590%0.90180%0.8SS**  trans-60.7140.6163.8-115.771.4000110.6
175G34.7Very low39.6Very low72 Ų72144 Ų14474%0.74279%0.794SS**  trans178.1108.5170.100000114.8
176A38.6Very low39.4Very low92 Ų92147 Ų14776%0.7681%0.805SS**  trans22.9126.7154.100000120.4
177F38.5Very low39.5Very low224 Ų224147.1 Ų147.198%0.98281%0.811SS**  -139.9127127.5-114.7-79.8000111.1
178Q34.9Very low39.1Very low152 Ų152142.5 Ų142.571%0.7181%0.805SS**  trans-109.4167-172.2165.293.822.900108.5
179E40.7Very low38.6Very low130 Ų130146.6 Ų146.661%0.60781%0.814SS**  trans81.3109.4170.1-61.7-50.8123.100118
180Q43.4Very low38.5Very low176 Ų176144.8 Ų144.882%0.82281%0.813SS**  166.3103.3110.3-87.9173.637.900111.3
181F35.8Very low38.7Very low208 Ų208146.3 Ų146.391%0.91282%0.816SS**  -177.6136.6110.9-136.8-102000111.2
182L34.4Very low38.5Very low152 Ų152142.8 Ų142.880%0.79681%0.811SS**  trans-100.8171-171-137.783.2000112.9
183A37.6Very low38.9Very low94 Ų94142.6 Ų142.678%0.77781%0.808SS**  trans80.8104.715900000119.6
184L31.7Very low39.2Very low176 Ų176138.9 Ų138.992%0.92180%0.796SS**  -175.889.3104.5-17862.4000111.9
185A34.2Very low39.9Very low93 Ų93136.9 Ų136.977%0.76979%0.787SS**  trans-171.492.7160.800000113.1
186T36.3Very low40.4Very low145 Ų145139.8 Ų139.889%0.8979%0.785SS**  trans-173.1128152.920.90000112.2
187T42.6Very low40.7Very low144 Ų144142.1 Ų142.188%0.88379%0.785SS**  trans166.5126.5154.3-75.90000106.6
188A39.9Very low41Very low77 Ų77136.6 Ų136.664%0.63677%0.774SS**  cis-167.2166.7-6.400000112.5
189R40.6Very low41.5Very low237 Ų237134.2 Ų134.289%0.89478%0.78SS**  trans66.9146.7155.7-74170.4168-167.3-5.6119
190S42.2Very low41.9Very low110 Ų110133.7 Ų133.777%0.76979%0.788SS**  cis-160.5166.8-11.3-123.10000110.6
191P49.7Very low41.9Very low114 Ų114132.2 Ų132.274%0.7479%0.791SS**  trans-119.7178.5-160.343.7-34.7000116.7
192V46.2Very low42.1Very low130 Ų130126.8 Ų126.879%0.78879%0.785SS**  trans-161.4124.2147.9-100.20000113
193T43.4Very low41.9Very low125 Ų125125.6 Ų125.677%0.76779%0.788SS**  trans35.6133.5133.960.90000119.7
194S48.2Very low42Very low94 Ų94125.4 Ų125.466%0.65779%0.786SS**  cis177.5175.826.7-93.40000108.4
195D43.7Very low42.2Very low130 Ų130123.3 Ų123.370%0.69579%0.787SS**  cis-168.9173-21.4-97.2-34.1000110.3
196N46.6Very low42.5Very low132 Ų132122.5 Ų122.571%0.70679%0.787SS**  trans70.7116162.1-66.3-39.5000119.4
197N44.7Very low42.8Very low141 Ų141121.2 Ų121.275%0.75478%0.784SS**  75127.470.1-71.7-35.3000112.6
198S43.8Very low42.9Very low109 Ų109120.3 Ų120.376%0.76278%0.778SS**  cis-154.2137.424.5-64.10000115.9
199A46.9Very low43Very low101 Ų101121.8 Ų121.884%0.83578%0.784SS**  trans56.4154.5130.500000125.1
200P48.3Very low43Very low120 Ų120117.7 Ų117.778%0.77979%0.785SS**  trans-127.4178.7-164.444-28.3000115.9
201T44.1Very low43.1Very low145 Ų145121.9 Ų121.989%0.8979%0.79SS**  trans-173.8145.2161.8-70.80000107.6
202A39.6Very low43.2Very low94 Ų94122.3 Ų122.378%0.77780%0.795SS**  cis-177.1-173-21.900000105.8
203C30.7Very low43.1Very low127 Ų127124.1 Ų124.186%0.85880%0.8SS**  trans-103.2157.5-164.953.70000116.6
204A38Very low43.1Very low90 Ų90121.4 Ų121.474%0.74480%0.798SS**  trans167.3122.6149.200000108.7
205S37.4Very low42.9Very low132 Ų132123 Ų12392%0.92381%0.808SS**  85.6120.862.2-66.60000114.7
206G39.9Very low43Very low76 Ų76121.2 Ų121.278%0.78481%0.812SS**  trans119.8105.8175.700000112.5
207S42.8Very low43.2Very low118 Ų118120.3 Ų120.383%0.82581%0.813SS**  cis92.6149.139.3-160.60000114.1
208V43.6Very low43.4Very low124 Ų124120.2 Ų120.275%0.75282%0.817SS**  trans75.298.4177.5-170.80000114.7
209S42.3Very low43.6Very low108 Ų108120.7 Ų120.776%0.75582%0.818SS**  72.7116.575.3-62.80000116.9
210T41.9Very low43.6Very low151 Ų151121.3 Ų121.393%0.92682%0.816SS**  trans-156.5136.7135.624.10000110.8
211K42.4Very low43.4Very low199 Ų199121.6 Ų121.687%0.86582%0.816SS**  trans-94.4150.4167.8-68174174.9176.20109.2
212S53.9Low43.9Very low122 Ų122119.6 Ų119.685%0.85381%0.808SS**  trans-149.4141.1143.6580000110.7
213N42Very low44Very low168 Ų168118.6 Ų118.690%0.89880%0.8SS**  trans-99.8152.4175.3-61.2-26.5000108.5
214G43.6Very low45.1Very low69 Ų69123.8 Ų123.871%0.71180%0.803SS**  trans166.911416200000117.1
215S44.8Very low45.2Very low126 Ų126127.2 Ų127.288%0.88181%0.808SS**  trans72.1117.9141.5-51.50000120.8
216A45.6Very low45.4Very low93 Ų93127 Ų12777%0.76980%0.801SS**  trans-81.2-162.4149.500000109.5
217P50.7Low45.6Very low113 Ų113129.4 Ų129.473%0.73480%0.8SS**  cis-127179.2-23.939.5-24.9000112.2
218V49Very low45.5Very low139 Ų139128.1 Ų128.184%0.84280%0.797SS**  170.2146.3129.8-86.70000112.3
219P47.7Very low45.8Very low120 Ų120128.3 Ų128.378%0.77980%0.798SS**  trans-109.9145.6169.437.7-29.3000114.1
220S46.7Very low46.4Very low114 Ų114128.3 Ų128.380%0.79780%0.799SS**  trans-177.8166.3163.5-90.90000112.3
221T45.1Very low46.5Very low125 Ų125127.4 Ų127.477%0.76780%0.795SS**  cis-171.5127.1-29.6-85.60000107.9
222S54Low46.5Very low103 Ų103121.8 Ų121.872%0.7279%0.794SS**  trans-164.7106.4164.2-166.60000109.5
223A42.7Very low46.2Very low74 Ų74127.6 Ų127.661%0.61280%0.797SS**  77.993.956.400000114.2
224Y52.6Low47Very low236 Ų236126 Ų12693%0.92579%0.793SS**  trans-138.8148.2146.5-77.6-69.6000109.3
225L40.5Very low48Very low161 Ų161128.2 Ų128.284%0.84380%0.795SS**  trans-125.5174.2-159.7-97.3164.2000111.7
226V40.9Very low48.2Very low128 Ų128127.8 Ų127.878%0.77679%0.789SS**  trans68.4136166.9-131.20000113.5
227T45.8Very low47.9Very low126 Ų126134.6 Ų134.677%0.77380%0.795SS**  cis-152153.228.4-43.50000111.3
228A39.8Very low47.6Very low92 Ų92134.2 Ų134.276%0.7680%0.795SS**  trans-107.6143.7176.700000112.4
229T49.5Very low47.3Very low127 Ų127132.9 Ų132.978%0.77979%0.787SS**  trans-149.4132.8164-35.50000113.1
230S54.6Low47.3Very low109 Ų109137.4 Ų137.476%0.76279%0.79SS**  trans59.4121.2154.953.50000121.7
231P44Very low47.1Very low131 Ų131138.3 Ų138.385%0.85179%0.786SS**  trans-103.2157.3163.738.1-31.2000114
232G42.6Very low47.3Very low81 Ų81138 Ų13884%0.83578%0.784SS**  trans99.7122.4148.800000118.5
233R47.4Very low47Very low245 Ų245138.1 Ų138.193%0.92578%0.783SS**  -170.3129.5120.7-156.3171.7-164.5-166.24.4110.8
234V59.6Low48Very low135 Ų135140.7 Ų140.782%0.81879%0.793SS**  trans-115.8139.1170-165.50000108.5
235P64.9Low47.6Very low115 Ų115138 Ų13875%0.74779%0.789SS**  trans-118.6134.6161.635-24.1000112.4
236P47.6Very low47.9Very low116 Ų116136.1 Ų136.175%0.75379%0.789SS**  trans-106166.1173.538.2-32.6000114.2
237R40.7Very low48Very low236 Ų236135.7 Ų135.789%0.89179%0.787SS**  trans66.7116.7158.2-82-179157.4-139.3-2.8120.8
238S43.6Very low48Very low105 Ų105136.5 Ų136.573%0.73479%0.792SS**  -173.6123.8105.3470000108
239T42.9Very low47.9Very low111 Ų111136.2 Ų136.268%0.68178%0.784SS**  68.2131.787.2-49.20000113.3
240Y46.8Very low47.6Very low216 Ų216139.3 Ų139.385%0.84779%0.787SS**  trans116.6143.9171.5-60.1-54.9000112
241D43.8Very low46.9Very low132 Ų132139.2 Ų139.271%0.70679%0.787SS**  cis-174.9135.4-45.2-150.4-41.3000104.5
242T50Low46.5Very low119 Ų119139 Ų13973%0.7379%0.788SS**  trans53.9132.3155.7-61.80000121.7
243P46.6Very low46.5Very low106 Ų106139.9 Ų139.969%0.68879%0.788SS**PPolyproline II helixtrans-89.2160.7175.537.4-36.6000114.1
244P64.2Low46Very low127 Ų127133.9 Ų133.983%0.82578%0.784SS**PPolyproline II helixtrans-81.1123.4176.731.8-32.7000112.6
245Q43Very low45.3Very low180 Ų180134 Ų13484%0.84178%0.784SS**PPolyproline II helixtrans-92131156.5-67.8-176.127.300109.3
246S48.9Very low44.3Very low121 Ų121134.9 Ų134.985%0.84679%0.788SS**  trans-98.9106.2169.6-49.30000109.4
247T41.2Very low43.8Very low119 Ų119133.1 Ų133.173%0.7379%0.791SS**  trans-81.8129.2-179.9510000112.4
248T46.4Very low43.8Very low144 Ų144126.8 Ų126.888%0.88379%0.789SS**  trans-133.398.3149.743.60000109.8
249S38.6Very low43.6Very low86 Ų86127.6 Ų127.660%0.60180%0.795SS**  trans-68.4149.7163.450.40000110.4
250F41.8Very low43.7Very low191 Ų191130.8 Ų130.884%0.83880%0.802SS**  -173.4132113-90.6-59000112.6
251S41Very low43.6Very low108 Ų108128.4 Ų128.476%0.75580%0.798SS**  trans60.2101.3144.2-52.90000120.2
252S35.7Very low43.7Very low126 Ų126130 Ų13088%0.88181%0.806SS**  trans-65.5140155.136.30000112.5
253A41.6Very low43.5Very low99 Ų99132.6 Ų132.682%0.81881%0.81SS**  trans-145.4116159.200000109.4
254S37.9Very low43.5Very low120 Ų120139.2 Ų139.284%0.83982%0.821SS**  trans-94.7117.8177.952.80000110.6
255T44.2Very low42.7Very low136 Ų136137.6 Ų137.683%0.83482%0.818SS**  trans-136.1137.5166-44.70000111.6
256T43.3Very low42.9Very low134 Ų134138.1 Ų138.182%0.82282%0.818SS**  trans-66.8139.1-172.647.40000115.6
257G37.4Very low42.9Very low80 Ų80140.5 Ų140.583%0.82582%0.82SS**  75104.3124.900000119.8
258A42.1Very low43.5Very low103 Ų103142.5 Ų142.585%0.85182%0.821SS**  trans-152.7118143.600000110.2
259S39.4Very low43.5Very low122 Ų122142.1 Ų142.185%0.85382%0.823SS**  trans-74.7135175.8-61.70000111.2
260H44Very low44.1Very low178 Ų178148.9 Ų148.982%0.82484%0.835SS**  trans-142.4115.3155.7-127.1-94.8000110.9
261Q44.3Very low44.8Very low166 Ų166151.5 Ų151.578%0.77684%0.839SS**  trans-67.3137.1167.3-72.6-168.833.400109.3
262L45.7Very low45.5Very low165 Ų165152.5 Ų152.586%0.86484%0.843SS**  trans-124.9128153.7-125.684.7000109.9
263Q47Very low46.2Very low173 Ų173154.3 Ų154.381%0.80884%0.842SS**  trans-79.1125.2-170-68.3160.6-15.100111.2A265Q263-A265 PolarHBondContact O-N 2.95Å; Q263-A265 VanDerWaalsContact O-N 3.13Å
264R46Very low46.9Very low246 Ų246154.3 Ų154.393%0.92884%0.842SS**  trans-81.290.6174.1-167.3170.7-177.4157.9-0.4110.2K266R264-K266 PolarHBondContact O-N 3.41Å
265A47.1Very low48Very low93 Ų93157.7 Ų157.777%0.76984%0.842SS**  trans-61.4123.5179.600000112.1Q263Q263-A265 PolarHBondContact O-N 2.95Å; Q263-A265 VanDerWaalsContact O-N 3.13Å
266K47.4Very low49Very low190 Ų190157.4 Ų157.483%0.82684%0.842SS**  trans-84.5110.2172-71.9175.3176.61750109.5R264 H268R264-K266 PolarHBondContact O-N 3.41Å; K266-H268 PolarHBondContact O-N 3.47Å
267L48.9Very low49.5Very low172 Ų172156.7 Ų156.790%0.90184%0.843SS**  trans-79.7106.6169.2-76170.3000110.2
268H54.7Low49.9Very low160 Ų160157.8 Ų157.874%0.74184%0.838SS**  trans-83.8118.5169-84.5-21000111K266 R270K266-H268 PolarHBondContact O-N 3.47Å; H268-R270 PolarHBondContact O-N 2.72Å
269C45Very low50.4Low137 Ų137164 Ų16493%0.92684%0.84SS**  trans-69.787.8166.5-69.80000111
270R52.1Low50.8Low227 Ų227166.6 Ų166.686%0.85784%0.838SS**PPolyproline II helixtrans-83.5118165.8-79.1-166.4170-155-1.1110.5H268H268-R270 PolarHBondContact O-N 2.72Å
271R56.8Low50.6Low246 Ų246167.4 Ų167.493%0.92884%0.839SS**PPolyproline II helixtrans-66.7129.3161.5-87.5-178.4170.6173.3-2.8109.7
272P54.6Low50.8Low129 Ų129169.8 Ų169.884%0.83885%0.847SS**PPolyproline II helixtrans-75.8125.7166.1-10.127000109.9
273L51.4Low50.4Low165 Ų165167.2 Ų167.286%0.86484%0.843SS**  trans-92.6108.3169.6-15880.7000108.1
274A55.9Low50.2Low99 Ų99163.3 Ų163.382%0.81884%0.84SS**  trans-73.3130.2-178.600000111.6
275K59.7Low50Low190 Ų190156.9 Ų156.983%0.82683%0.833SS**  trans-114.2133.3164-65.6-179.1-179.8-179.30108.3
276P65.6Low49.9Very low130 Ų130158.1 Ų158.184%0.84483%0.831SS**PPolyproline II helixtrans-75.7149.1166.631.2-32000111
277S55.1Low49.8Very low119 Ų119157.9 Ų157.983%0.83283%0.83SS**PPolyproline II helixtrans-85150.2-174.8-170.80000113.2
278S45.2Very low49.3Very low104 Ų104155.4 Ų155.473%0.72783%0.826SS**PPolyproline II helixtrans-61.3138.1170.6174.70000112.7
279R52.3Low48.7Very low234 Ų234152.5 Ų152.588%0.88383%0.831SS**  trans-146.8122.7144.4-76.9-162.4-172175.44.6112.8
280H47.6Very low47.9Very low175 Ų175152.3 Ų152.381%0.8183%0.829SS**  trans61.3111.7149.3-76.4-81.7000122.6
281F39.2Very low47.2Very low196 Ų196147.3 Ų147.386%0.8683%0.829SS**  trans-39.6142.8149.2-78.7-110.3000114.8
282K49.2Very low46.2Very low215 Ų215141.5 Ų141.594%0.93582%0.821SS**  -153.3138.8121.7-108.1171.2-175.5-177.90110.1
283S38.4Very low45.6Very low111 Ų111144 Ų14478%0.77682%0.821SS**  trans-115.2132.7-167.352.20000113
284A42.9Very low44.8Very low92 Ų92143.7 Ų143.776%0.7682%0.82SS**  trans-158.1122.4151.300000105.5
285S41.7Very low44.3Very low110 Ų110148.3 Ų148.377%0.76982%0.822SS**  50.1116.977.2-147.20000110.4
286V43.5Very low43.3Very low119 Ų119145.2 Ų145.272%0.72182%0.819SS**  -157.7146.656.8162.30000112.1
287K46.6Very low42.1Very low186 Ų186146 Ų14681%0.80982%0.816SS**  trans7.8122.1148.7-55.1170.9-176177.80117.7
288S37.9Very low41.2Very low119 Ų119146 Ų14683%0.83281%0.811SS**  63.2105.290149.40000115.9
289A41.2Very low41.1Very low100 Ų100146.6 Ų146.683%0.82682%0.815SS**  -178.3153.3126.600000110.5
290C30Very low40.1Very low133 Ų133142.9 Ų142.990%0.89981%0.813SS**  trans-79.9151.2171.9-58.90000111
291S36.8Very low39.8Very low121 Ų121141.1 Ų141.185%0.84681%0.814SS**  -161151.9118.4-154.50000111.8
292V35.7Very low39.8Very low125 Ų125138 Ų13876%0.75881%0.811SS**  trans-96.7137.1172.3168.60000108.1
293E42.6Very low39.6Very low182 Ų182132.9 Ų132.985%0.8580%0.8SS**  trans-144.3118.2156.7-112.9-179.7170.600110.8
294N34.1Very low39.4Very low157 Ų157132 Ų13284%0.8479%0.794SS**  trans-93.7133.2173.8-119.6-1.2000108.3
295K44.8Very low39.2Very low197 Ų197133.4 Ų133.486%0.85779%0.793SS**  trans-147.5139164.4-114.6164.9-173.3165.70112.4
296T38.6Very low39.2Very low124 Ų124133.4 Ų133.476%0.76179%0.793SS**  trans-105.9137-164.349.40000113.3
297N39.7Very low38.9Very low147 Ų147133.2 Ų133.279%0.78679%0.794SS**  trans-171.7109.8147.5-119.7-75.8000107.1
298V37.7Very low38.3Very low119 Ų119134.8 Ų134.872%0.72180%0.795SS**  51.9104.775.7-173.50000113.5
299S42Very low38.3Very low116 Ų116138.1 Ų138.181%0.81180%0.798SS**  -169.9134.5126.7-83.10000111.4
300N31.4Very low37.8Very low157 Ų157138.7 Ų138.784%0.8479%0.791SS**  trans-79.4155.9176.9-61.7-50.5000111.3
301T41.3Very low38.1Very low138 Ų138139.6 Ų139.685%0.84778%0.779SS**  trans-158.3136138.7-71.30000109.6
302V39.9Very low37.8Very low129 Ų129138.7 Ų138.778%0.78277%0.773SS**  trans-125144.4173.81720000108.2
303P44.2Very low37.8Very low109 Ų109139 Ų13971%0.70877%0.766SS**  trans-127.4140.7136.536.2-26.2000110.5
304S34.1Very low37.4Very low93 Ų93137.3 Ų137.365%0.6576%0.761SS**  64.9126.454.5-163.20000110.2
305T40.5Very low37.6Very low121 Ų121138.1 Ų138.174%0.74276%0.762SS**  cis-171.7172.613.45.30000111.1
306S39.8Very low37Very low110 Ų110135.1 Ų135.177%0.76976%0.756SS**  trans88160.4147.492.70000118.4
307P39.2Very low36.6Very low115 Ų115139 Ų13975%0.74776%0.762SS**  -139.3178.3-105.533-8.9000116.5
308R32.7Very low36.3Very low218 Ų218137.5 Ų137.582%0.82376%0.76SS**  trans-0.4128.1158.3-69.9178.3165.3-147.8-3.1117.5
309Q38Very low36.2Very low190 Ų190140.7 Ų140.789%0.88877%0.77SS**  trans-116.4124130.5-73.3-149.2-12.700110.7
310V31.8Very low35.7Very low112 Ų112140.7 Ų140.768%0.67977%0.765SS**  trans-81.9120.91631730000105.6
311K34.4Very low35.8Very low151 Ų151142 Ų14266%0.65776%0.764SS**  trans-115.794.4164.2-152.7177.4-176.4-147.10109.6E313K311-E313 VanDerWaalsContact CE-OE1 3.27Å; K311-E313 WeakPolarHBondContact CE-OE1 3.38Å; K311-E313 WeakPolarHBondContact CE-OE2 3.43Å; K311-E313 IonicContact NZ-OE1 2.76Å; K311-E313 PolarHBondContact NZ-OE1 3.47Å; K311-E313 IonicContact NZ-OE2 2.66Å; K311-E313 PolarHBondContact NZ-OE2 3.1Å; K311-E313 PolarHBondContact O-N 3.02Å
312S32.2Very low35.4Very low103 Ų103142.5 Ų142.572%0.7276%0.756SS**  trans-63.7111156.8480000107.9
313E35.7Very low35.3Very low132 Ų132144.7 Ų144.762%0.61776%0.755SS**  trans-127.187.9168.3-148.8141.6-130.900107.1K311 M315K311-E313 VanDerWaalsContact CE-OE1 3.27Å; K311-E313 WeakPolarHBondContact CE-OE1 3.38Å; K311-E313 WeakPolarHBondContact CE-OE2 3.43Å; K311-E313 IonicContact NZ-OE1 2.76Å; K311-E313 PolarHBondContact NZ-OE1 3.47Å; K311-E313 IonicContact NZ-OE2 2.66Å; K311-E313 PolarHBondContact NZ-OE2 3.1Å; K311-E313 PolarHBondContact O-N 3.02Å; E313-M315 PolarHBondContact O-N 3.29Å
314I33.8Very low35.2Very low145 Ų145146.2 Ų146.274%0.74475%0.753SS**  trans-63115.2163.1-71.8165.7000106
315M37.7Very low35.3Very low175 Ų175149.4 Ų149.486%0.86276%0.763SS**  trans-134.296.1156-74.8-151.9123.200108.1E313 F317E313-M315 PolarHBondContact O-N 3.29Å; M315-F317 PolarHBondContact O-N 2.92Å
316D31.5Very low35.3Very low134 Ų134149.2 Ų149.272%0.71776%0.757SS**  trans-54.3129.4159.6-60-80.6000109.6
317F31.3Very low35Very low205 Ų205152 Ų15290%0.89975%0.752SS**  trans-151.1137.1138.8-105.9-80.7000108.1M315M315-F317 PolarHBondContact O-N 2.92Å
318P34Very low35Very low115 Ų115153.9 Ų153.975%0.74775%0.753SS**  trans-88.7145.2-166.234.5-31.9000111.3
319M35.6Very low35.2Very low187 Ų187151.8 Ų151.892%0.92175%0.754SS**  trans-134.2115153.2-143.6-169.5-63.900109.8F321M319-F321 PolarHBondContact O-N 3.24Å
320T30.1Very low35.2Very low115 Ų115147.2 Ų147.271%0.70674%0.744SS**  trans-65.4120-178.741.50000110.6E322T320-E322 VanDerWaalsContact C-N 3.35Å; T320-E322 PolarHBondContact O-N 2.89Å
321F33.9Very low35.7Very low185 Ų185148.1 Ų148.181%0.81175%0.75SS**  trans-82.689.7162.4-155.8-89.9000108.2M319 F323M319-F321 PolarHBondContact O-N 3.24Å; F321-F323 HydrophobicContact CD1-CD2 4.15Å; F321-F323 HydrophobicContact CE1-CD2 4.08Å; F321-F323 HydrophobicContact CE1-CE2 4.39Å; F321-F323 PolarHBondContact O-N 3.34Å
322E33.2Very low36.2Very low148 Ų148148.3 Ų148.369%0.69276%0.755SS**  trans-52.8102.9164.9-71.9-83.1133.500108.4T320 E324T320-E322 VanDerWaalsContact C-N 3.35Å; T320-E322 PolarHBondContact O-N 2.89Å; E322-E324 PolarHBondContact O-N 3.3Å
323F38.2Very low36.4Very low175 Ų175151.5 Ų151.577%0.76876%0.758SS**  trans-81.795.9162.5-138.4-84.6000106.3F321 N325F321-F323 HydrophobicContact CD1-CD2 4.15Å; F321-F323 HydrophobicContact CE1-CD2 4.08Å; F321-F323 HydrophobicContact CE1-CE2 4.39Å; F321-F323 PolarHBondContact O-N 3.34Å; F323-N325 PolarHBondContact O-N 3.48Å
324E41.6Very low36.6Very low141 Ų141150.2 Ų150.266%0.65976%0.759SS**  trans-55.297.2-177.8-74.6-17894.200111.3E322 N326E322-E324 PolarHBondContact O-N 3.3Å; E324-N326 HydrophobicContact CB-CB 4.32Å; E324-N326 PolarHBondContact O-N 2.91Å; E324-N326 PolarHBondContact OE1-ND2 2.83Å
325N36.1Very low37Very low161 Ų161148.6 Ų148.686%0.86176%0.756SS**  trans-74.958154.6-76.9-54.8000108.8F323 Y327F323-N325 PolarHBondContact O-N 3.48Å; N325-Y327 PolarHBondContact O-N 3.23Å
326N40.4Very low37.5Very low116 Ų116146.4 Ų146.462%0.6275%0.752SS**  trans-78.494.3171.1-106.4-36.4000107.4E324E324-N326 HydrophobicContact CB-CB 4.32Å; E324-N326 PolarHBondContact O-N 2.91Å; E324-N326 PolarHBondContact OE1-ND2 2.83Å
327Y33.9Very low38Very low170 Ų170147.3 Ų147.367%0.66776%0.757SS**  73.710773.1-169.9-80.9000111.1N325N325-Y327 PolarHBondContact O-N 3.23Å
328M38.9Very low38.4Very low153 Ų153140.9 Ų140.975%0.75475%0.749SS**  -160.692.2128.5-94.8-53.115800107.5S330M328-S330 PolarHBondContact O-N 3.13Å
329M37Very low38.7Very low174 Ų174142.3 Ų142.386%0.85776%0.755SS**  trans-6787.6156.2-89.4162.455.900106.8T331M329-T331 PolarHBondContact O-N 2.72Å
330S37.8Very low39.1Very low95 Ų95139.3 Ų139.366%0.66475%0.748SS**  trans-7497.3177.3-167.90000108.9M328 M332M328-S330 PolarHBondContact O-N 3.13Å; S330-M332 PolarHBondContact O-N 2.78Å
331T42.5Very low39.8Very low131 Ų131141.6 Ų141.680%0.80476%0.756SS**  trans-60.5101.9168.7-22.90000107.9M329 Q333M329-T331 PolarHBondContact O-N 2.72Å; T331-Q333 PolarHBondContact O-N 2.65Å
332M44.1Very low40.3Very low155 Ų155138.7 Ų138.776%0.76476%0.758SS**  trans-68.295.3176.3-69.6-132.278.600109.8S330 V334S330-M332 PolarHBondContact O-N 2.78Å; M332-V334 HydrophobicContact CB-CG2 4.07Å; M332-V334 PolarHBondContact O-N 2.72Å
333Q36.3Very low41Very low169 Ų169135 Ų13579%0.7976%0.76SS**  trans-73.5100.5153.3-68.7-143-7.400107.7T331 T335T331-Q333 PolarHBondContact O-N 2.65Å; Q333-T335 PolarHBondContact O-N 3.06Å
334V41.4Very low41.3Very low106 Ų106134.2 Ų134.264%0.64276%0.764SS**  trans-84.484.6173.1-172.50000108.1M332 V336M332-V334 HydrophobicContact CB-CG2 4.07Å; M332-V334 PolarHBondContact O-N 2.72Å; V334-V336 HydrophobicContact CG1-CG2 3.71Å; V334-V336 PolarHBondContact O-N 3.31Å
335T41Very low41.3Very low110 Ų110136.3 Ų136.368%0.67577%0.771SS**  trans-74.699.1165.846.70000108.8Q333 D337Q333-T335 PolarHBondContact O-N 3.06Å; T335-D337 PolarHBondContact O-N 3.02Å
336V49.7Very low41.9Very low129 Ų129135.4 Ų135.478%0.78277%0.765SS**  trans-88.491.2170.5-1710000108.6V334V334-V336 HydrophobicContact CG1-CG2 3.71Å; V334-V336 PolarHBondContact O-N 3.31Å
337D41.2Very low42.3Very low153 Ų153136.1 Ų136.182%0.81877%0.774SS**  trans-82.3126.8170.8-81.3-41.8000111.4T335T335-D337 PolarHBondContact O-N 3.02Å
338G38.9Very low43Very low71 Ų71133.3 Ų133.373%0.73278%0.776SS**  trans83.272.1138.100000119.1
339V41.8Very low43.2Very low145 Ų145131.1 Ų131.188%0.87978%0.782SS**  trans-126.4124.5135.9-176.90000109.2
340T43.6Very low43.4Very low124 Ų124126.5 Ų126.576%0.76178%0.78SS**  trans-68.9133.6-173.850.80000113
341N44.9Very low43.7Very low163 Ų163126.1 Ų126.187%0.87278%0.782SS**  trans-148.6122.6142.3-95.8-51.5000110
342S43.5Very low43.9Very low123 Ų123126.3 Ų126.386%0.8678%0.783SS**  trans-73.5138.1174.446.80000111.2
343G48.3Very low43.8Very low71 Ų71124.5 Ų124.573%0.73279%0.786SS**  trans175.391.6177.200000112.5
344D44.3Very low43.7Very low158 Ų158120.9 Ų120.985%0.84579%0.785SS**  trans-53.1134.9-177.8-46.4-77.1000115.1
345F42.9Very low43.6Very low186 Ų186122 Ų12282%0.81679%0.791SS**  -171.3136.3117.8-130.6-115.5000115.3
346L48.3Very low43.4Very low141 Ų141122.2 Ų122.274%0.73879%0.793SS**  trans15.5124.2161.9-86.963.6000123.8
347V49.1Very low43.1Very low131 Ų131123.2 Ų123.279%0.79479%0.793SS**  trans-76.5-175.7147.4-119.40000110.4
348P48.8Very low42.9Very low111 Ų111124.2 Ų124.272%0.72179%0.792SS**  cis-140.5169.4-2.232.6-9.3000119.3
349A41.1Very low43.2Very low107 Ų107126.3 Ų126.388%0.88480%0.795SS**  trans51.7120.1136.800000123.2
350G41.2Very low43.2Very low78 Ų78124.4 Ų124.480%0.80479%0.788SS**  trans165.1143.4148.300000110.1
351A45.1Very low43.5Very low86 Ų86124.3 Ų124.371%0.71179%0.79SS**  cis-177.8156.3-17.500000104.5
352V46Very low43.4Very low136 Ų136127.9 Ų127.982%0.82479%0.791SS**  trans54.6114158-61.60000120.9
353S42.4Very low43.3Very low117 Ų117128.6 Ų128.682%0.81879%0.791SS**  149.5126.8106.8-83.40000113.1
354A34.2Very low43.1Very low93 Ų93131.2 Ų131.277%0.76979%0.792SS**  trans-78144.9177.400000112.1
355V39Very low42.7Very low128 Ų128129 Ų12978%0.77679%0.789SS**  trans-126.7100.3158.5175.30000108.3L357V355-L357 HydrophobicContact CG1-CD1 4.32Å; V355-L357 HydrophobicContact CG1-CG 4.06Å; V355-L357 PolarHBondContact O-N 3.02Å
356T37.2Very low43.3Very low116 Ų116126 Ų12671%0.71279%0.785SS**  trans-72.2116.9169.1-59.80000109.1
357L43.2Very low43.7Very low149 Ų149124.3 Ų124.378%0.7878%0.783SS**  trans-123.2104.4163.9-75.7176.1000110.5V355 S359V355-L357 HydrophobicContact CG1-CD1 4.32Å; V355-L357 HydrophobicContact CG1-CG 4.06Å; V355-L357 PolarHBondContact O-N 3.02Å; L357-S359 PolarHBondContact O-N 3.18Å
358H38.3Very low43.5Very low175 Ų175123.8 Ų123.881%0.8178%0.782SS**  trans-61.8128.7161.9-9148.7000109.5
359S43.7Very low43.2Very low114 Ų114124.9 Ų124.980%0.79778%0.782SS**  trans-136.9106.7163.150.10000109.7L357L357-S359 PolarHBondContact O-N 3.18Å
360S41.9Very low43.5Very low105 Ų105126.2 Ų126.273%0.73478%0.779SS**  trans-68.6143.3-175.2-47.10000112.2R362S360-R362 PolarHBondContact O-N 3.42Å
361P49.8Very low43.5Very low122 Ų122129.3 Ų129.379%0.79278%0.776SS**  trans-70.7124.516929.6-32.4000109.9T363P361-T363 PolarHBondContact O-N 3.17Å
362R43.3Very low43.4Very low238 Ų238132.9 Ų132.990%0.89878%0.782SS**  trans-80.6108.9168.3-82.5-177167.4178.2-3.6109.5S360 V364S360-R362 PolarHBondContact O-N 3.42Å; R362-V364 PolarHBondContact O-N 3.01Å
363T40.7Very low43.3Very low139 Ų139137.5 Ų137.585%0.85379%0.785SS**  trans-66.7114.8171.1-46.70000110.2P361P361-T363 PolarHBondContact O-N 3.17Å
364V44.1Very low43.5Very low126 Ų126139.2 Ų139.276%0.76478%0.784SS**  trans-86.5113.8170.4176.80000108.5R362R362-V364 PolarHBondContact O-N 3.01Å
365S37.6Very low43.8Very low111 Ų111139.9 Ų139.978%0.77678%0.781SS**  trans-74.7127.4175.6-175.40000110.6
366V54Low44Very low122 Ų122140.5 Ų140.574%0.73979%0.785SS**  trans-113.6124.7173.4-179.70000108.3
367P56.5Low44.1Very low106 Ų106144.4 Ų144.469%0.68880%0.795SS**  trans-79.3139.1-173.730.7-34.8000112.5N369P367-N369 PolarHBondContact O-N 2.99Å
368P46.1Very low43.9Very low120 Ų120146.6 Ų146.678%0.77980%0.801SS**  trans-86.6107.5172.332.8-30.3000110.3
369N41.7Very low43.8Very low135 Ų135149 Ų14972%0.72280%0.803SS**  trans-158.788.7167.1-111.4-46.7000113P367P367-N369 PolarHBondContact O-N 2.99Å
370V47.2Very low43.5Very low134 Ų134151.9 Ų151.981%0.81280%0.804SS**  trans-130.189.2158.3-177.10000108L372V370-L372 HydrophobicContact CG1-CD1 4.32Å; V370-L372 PolarHBondContact O-N 2.85Å; V370-L372 VanDerWaalsContact O-N 3.14Å
371I42.1Very low43.6Very low144 Ų144154.7 Ų154.774%0.73881%0.806SS**  trans-74.499.4173.3-62.9171.9000107.7R373I371-R373 PolarHBondContact O-N 2.99Å; I371-R373 VanDerWaalsContact O-N 3.08Å
372L42.1Very low43Very low160 Ų160155.6 Ų155.684%0.83881%0.809SS**  trans-74.2101.6171.9-137.678000109.3V370 N374V370-L372 HydrophobicContact CG1-CD1 4.32Å; V370-L372 PolarHBondContact O-N 2.85Å; V370-L372 VanDerWaalsContact O-N 3.14Å; L372-N374 PolarHBondContact O-N 3.04Å
373R44.7Very low42.8Very low234 Ų234147.7 Ų147.788%0.88380%0.802SS**  trans-67.7113.6-173.7-151.2175.3-168.3143.8-1.6110I371 P375I371-R373 PolarHBondContact O-N 2.99Å; I371-R373 VanDerWaalsContact O-N 3.08Å; R373-P375 WeakPolarHBondContact O-CD 3.36Å
374N45.7Very low42.8Very low152 Ų152146.8 Ų146.881%0.81380%0.801SS**  trans-88.3113.3179.3-163-14000110L372L372-N374 PolarHBondContact O-N 3.04Å
375P40.3Very low42.1Very low108 Ų108146.8 Ų146.870%0.70181%0.805SS**  trans-86.9115.7177.833.4-28.7000110R373R373-P375 WeakPolarHBondContact O-CD 3.36Å
376V43.7Very low42Very low140 Ų140150.2 Ų150.285%0.84881%0.806SS**  trans175.281.5147.11520000107.6
377Q38.8Very low41.5Very low199 Ų199150.2 Ų150.293%0.9381%0.806SS**  trans-136.671161.4-81.1-162.2-10.500109
378Q39.7Very low40.7Very low194 Ų194150.6 Ų150.691%0.90781%0.809SS**  trans-154.7150.7162.9-138.4165.6-1.600111.2
379R36.4Very low40.4Very low226 Ų226153.7 Ų153.785%0.85381%0.813SS**  trans74.470.4-179.8-155.7173.1-178.2171.40.1116.5
380Q37.1Very low39.9Very low175 Ų175155.8 Ų155.882%0.81882%0.818SS**  trans-69.2170.7137.7-65.4178.81.400110.1
381Q43.4Very low39.4Very low164 Ų164158.5 Ų158.577%0.76682%0.822SS**  trans89.8128.4168.6-50.6-176.520.600117.7
382T38.7Very low39.2Very low141 Ų141160.2 Ų160.287%0.86583%0.827SS**  trans62.8135.317481.10000117.5
383G38.8Very low38.9Very low72 Ų72158.7 Ų158.774%0.74282%0.824SS**  cis177.1143.8-10.200000112.9
384S39.3Very low38.9Very low120 Ų120153.3 Ų153.384%0.83982%0.82SS**  trans44.1116.9162.4-155.10000120.9
385C30.1Very low38.3Very low125 Ų125152.6 Ų152.685%0.84582%0.82SS**  trans-66.8145.9159.4-47.10000110.7
386F34.9Very low38.4Very low183 Ų183151.9 Ų151.980%0.80382%0.824SS**  trans-137135.1166.5-158.9-94.9000110.3
387V43.3Very low38.3Very low122 Ų122150.1 Ų150.174%0.73982%0.818SS**  trans-119.9125.1178.2173.70000107.3
388P40.4Very low38.3Very low114 Ų114147.1 Ų147.174%0.7481%0.813SS**PPolyproline II helixtrans-91.7132.9165.131.9-26.4000110.4
389Q39.8Very low38.2Very low185 Ų185143.2 Ų143.286%0.86481%0.807SS**PPolyproline II helixtrans-95.1157.4-178.4-173164.9-25.200111.2
390Q31Very low38.1Very low180 Ų180138.2 Ų138.284%0.84180%0.801SS**PPolyproline II helixtrans-52.8135.8175.8177.4-178.612.300114.5
391E38Very low38.3Very low190 Ų190139.2 Ų139.289%0.88881%0.805SS**  trans-135.3169.7165.8-159.5147.1120.500112.3
392Q36.2Very low37.9Very low180 Ų180137 Ų13784%0.84181%0.808SS**  trans-106.9167.7-144.2-68.4175.7-18.400116.7
393V37.3Very low37.9Very low128 Ų128135.1 Ų135.178%0.77681%0.807SS**  trans-97.5144.7173.8178.20000110.4
394P43.5Very low38Very low122 Ų122136.1 Ų136.179%0.79281%0.807SS**  trans-104.2157.6159.435.9-28.8000113.1
395V34.2Very low38.6Very low136 Ų136135.6 Ų135.682%0.82480%0.802SS**  trans-118137.4-162.9-173.50000112
396A42.7Very low39.4Very low94 Ų94135.7 Ų135.778%0.77780%0.798SS**  trans-165.9152.8156.900000109
397S40.1Very low40Very low103 Ų103132.5 Ų132.572%0.7280%0.798SS**  cis172114.6-27.6-98.30000105.2
398V39.4Very low39.9Very low136 Ų136132.1 Ų132.182%0.82480%0.801SS**  trans50.3114.1148.6-167.40000119.1
399S38.2Very low39.6Very low112 Ų112132.2 Ų132.278%0.78380%0.803SS**  -175.3157.695.8-157.20000113.4
400V34.1Very low40.2Very low120 Ų120129.7 Ų129.773%0.72780%0.803SS**  trans-103.5151.9-175.2-136.60000109.9
401H41.2Very low40.4Very low197 Ų197128 Ų12891%0.91280%0.8SS**  trans-158143.7138-91.9108000110.2
402S34.6Very low40.6Very low118 Ų118125.6 Ų125.683%0.82580%0.797SS**  trans-141.3134.2-175.9179.10000109.4
403A39.4Very low40.9Very low101 Ų101127.4 Ų127.484%0.83580%0.796SS**  trans-158134.8167.800000110.5
404A40.4Very low41.2Very low92 Ų92125.8 Ų125.876%0.7679%0.791SS**  trans-117.7-149172.700000107.5
405P51.4Low40.9Very low110 Ų110127 Ų12771%0.71479%0.791SS**  cis-133.8-159.6-27.223.12.4000112.5
406V46.7Very low41.3Very low126 Ų126131.9 Ų131.976%0.76480%0.795SS**  trans108.6144.6142.2-48.20000123.2
407S47Very low41.3Very low116 Ų116132.3 Ų132.381%0.81179%0.792SS**  trans79.8146.3165.480.80000117.9
408S43Very low41.2Very low115 Ų115132 Ų13280%0.80480%0.795SS**  cis-161.4148.2-28.3-179.80000108.8
409C33.3Very low41.4Very low116 Ų116131.7 Ų131.778%0.78479%0.794SS**  trans-76.1169.2172.8-59.40000111.9
410P52.9Low41.7Very low132 Ų132132 Ų13286%0.85780%0.796SS**  -143.8174.699.537.3-21.7000116.2
411N35Very low42.2Very low144 Ų144134 Ų13477%0.7780%0.802SS**  trans-122.8137.2-170.6166.7-3.7000110.5R413N411-R413 PolarHBondContact OD1-N 2.99Å
412V42.4Very low42.5Very low139 Ų139130.6 Ų130.684%0.84280%0.797SS**  trans-132.884.7170.5-173.10000112.6
413R42.5Very low42.9Very low218 Ų218134.3 Ų134.382%0.82380%0.799SS**  41.5135.2117.3-140.5-175-170.5175.33.1121.4N411N411-R413 PolarHBondContact OD1-N 2.99Å
414S42.3Very low43.3Very low95 Ų95137.1 Ų137.166%0.66480%0.798SS**  trans115.886.8139.9-64.90000120
415N39Very low43.6Very low148 Ų148144.2 Ų144.279%0.79181%0.805SS**  25.7129.9123.1-58.30.2000121.6
416R41.5Very low43Very low238 Ų238142.4 Ų142.490%0.89881%0.806SS**  149.8158.4125-82.2168-166.3-127.24.2109.9
417S42.1Very low42.9Very low102 Ų102146.3 Ų146.371%0.71382%0.816SS**  cis-178.5128.3-31.5-91.50000108
418A39.2Very low42.6Very low97 Ų97152.3 Ų152.380%0.80282%0.821SS**  trans60.3166.7169.400000115.6
419T44.2Very low42.7Very low130 Ų130151.6 Ų151.680%0.79882%0.821SS**  cis-160.2168.120.9-36.20000111.1
420S43.5Very low43.1Very low117 Ų117151.3 Ų151.382%0.81882%0.821SS**  trans103.3129.7147.8780000121.2
421L44.4Very low42.6Very low163 Ų163149.8 Ų149.885%0.85382%0.819SS**  trans-104.4156.6167.6-73.5155.4000108.4
422P48.4Very low43.7Very low125 Ų125151.8 Ų151.881%0.81282%0.821SS**  -143.916493.425.8-4.2000112.8
423K41.8Very low43.9Very low197 Ų197151 Ų15186%0.85782%0.819SS**  cis95.790.626.1-169170.2-176.5171.10116.7
424I47.9Very low44.1Very low160 Ų160148.3 Ų148.382%0.82182%0.819SS**  trans-150.7111.6155-47.7-176.8000105.5
425R46.2Very low44.2Very low241 Ų241152.8 Ų152.891%0.90983%0.83SS**  56.4123.780.3-161-179.9-170.7174.82.3113
426G38.9Very low44.3Very low71 Ų71150 Ų15073%0.73283%0.827SS**  cis151.1121.6-7.900000110
427E45.4Very low44.5Very low208 Ų208146.9 Ų146.997%0.97283%0.827SS**  trans-146161172-124.8-173.3137.600112.6
428R41.5Very low44.1Very low243 Ų243146.8 Ų146.892%0.91783%0.827SS**  trans-145.5111.3-153.3174.6-164-172.5-1525111.2
429A44.4Very low43.8Very low99 Ų99148.9 Ų148.982%0.81883%0.834SS**  trans-157.7139.416400000114.7
430S41.9Very low43.7Very low110 Ų110146.5 Ų146.577%0.76983%0.828SS**  trans58.999.9154.5-146.70000119.8
431A41.7Very low43.5Very low100 Ų100148.7 Ų148.783%0.82683%0.83SS**  trans-70.9141.1161.700000111.3
432K59Low43.4Very low187 Ų187145.4 Ų145.481%0.81383%0.826SS**  trans-123.2128.1159.8-73.2-178176.2-179.30108
433P45.2Very low43.1Very low122 Ų122147.7 Ų147.779%0.79283%0.831SS**  trans-70.8140.1171.230.6-32.4000109.5
434I46.6Very low43.7Very low162 Ų162144 Ų14483%0.83183%0.827SS**  trans-81.2117.6171.6-64.7172.3000107.3A436I434-A436 PolarHBondContact O-N 3.17Å
435E45.3Very low43.5Very low189 Ų189141 Ų14188%0.88382%0.82SS**  trans-67.9115.3169.8-68.4-172.7156.600109.9
436A40.4Very low43.4Very low89 Ų89137.5 Ų137.574%0.73682%0.82SS**  trans-133.382.7171.900000108.9I434I434-A436 PolarHBondContact O-N 3.17Å
437L45.4Very low43.8Very low172 Ų172138.4 Ų138.490%0.90182%0.82SS**  trans-135.8136.1173.6-62.2172.8000107.3
438S35.2Very low43.6Very low100 Ų100136.5 Ų136.570%0.69982%0.817SS**  cis-146.2154-8.762.60000110
439C32.1Very low44.1Very low141 Ų141131 Ų13195%0.95381%0.81SS**  trans-127.583.3156.3-80.30000106.7
440A41.5Very low43.8Very low81 Ų81130.5 Ų130.567%0.66981%0.805SS**  trans-85.7109.1164.300000107.6
441D40.1Very low43.6Very low162 Ų162131.5 Ų131.587%0.86681%0.811SS**  -178.4145.9123.9-95-28.7000113.2
442A42.7Very low44Very low94 Ų94132.6 Ų132.678%0.77781%0.813SS**  trans61.467.6164.500000119.1
443L42.4Very low43.5Very low174 Ų174128.4 Ų128.491%0.91181%0.807SS**  trans-85.6133.1142-95.1166.6000109.9
444P54.2Low43.6Very low118 Ų118129.6 Ų129.677%0.76681%0.806SS**  trans-106.4115.4148.231.8-23.5000109.3
445S42.5Very low43.6Very low98 Ų98126.3 Ų126.369%0.68580%0.803SS**  trans-62.1135.4174.854.80000111.2
446N45.9Very low43.7Very low168 Ų168122.7 Ų122.790%0.89880%0.799SS**  trans175.670.4154.9-91.2-52.4000110.2
447A46.6Very low43.9Very low90 Ų90124.2 Ų124.274%0.74480%0.799SS**  trans-170.255.4161.400000112.7V449A447-V449 PolarHBondContact O-N 3.34Å
448D40.5Very low43.8Very low168 Ų168119.8 Ų119.890%0.89879%0.787SS**  trans-74.563164.8-73.1-59000110.8
449V52.9Low44.1Very low128 Ų128125 Ų12578%0.77680%0.798SS**SBendtrans-143.5111.5169.3-175.10000110.1A447A447-V449 PolarHBondContact O-N 3.34Å
450A37.7Very low44.9Very low87 Ų87122.6 Ų122.672%0.71979%0.788SS**SBendtrans56.980.6158.200000119
451C38.8Very low45.1Very low132 Ų132125 Ų12589%0.89280%0.8SS**SBendtrans-138.830.5151.9-147.10000114.2
452S48.6Very low45.3Very low122 Ų122120.5 Ų120.585%0.85379%0.792SS**SBendtrans-133.49.3-176.1-49.20000115.4
453S48.7Very low45.9Very low100 Ų100124.3 Ų124.370%0.69980%0.797SS**SBendtrans-124.69.4-175.369.90000116.6
454L46.9Very low46.4Very low146 Ų146120.2 Ų120.276%0.76478%0.783SS**  trans-99.810.3173.1-76.4168.9000113.8S456L454-S456 PolarHBondContact O-N 2.96Å
455A47Very low46.5Very low94 Ų94121 Ų12178%0.77779%0.788SS**THydrogen-bonded Turntrans-74.716.8178.500000114.8
456S47.1Very low47.6Very low113 Ų113120.8 Ų120.879%0.7978%0.779SS**THydrogen-bonded Turntrans-133.95.9-174.5-560000115.3L454L454-S456 PolarHBondContact O-N 2.96Å
457T44.5Very low49.2Very low120 Ų120117 Ų11774%0.73676%0.758SS**  trans-122.850.8177.126.90000111.9
458A44Very low50.8Low80 Ų80116.8 Ų116.866%0.66175%0.749SS**  trans-110.922.3-176.800000114.6
459F42.2Very low53Low209 Ų209113.7 Ų113.792%0.91773%0.733SS**  trans-143.966178.8-71.2-75.3000112.7
460A48.7Very low54.7Low91 Ų91111.3 Ų111.375%0.75272%0.715SS**  trans-154.8108.516500000112.2
461S46Very low57.2Low132 Ų132110.9 Ų110.992%0.92370%0.698SS**  trans42.6109.5135.8-49.60000119.8
462G43.4Very low59.6Low67 Ų67110.1 Ų110.169%0.69168%0.682SS**  trans151.793.5156.900000114.1S464G462-S464 PolarHBondContact O-N 3.34Å
463I56.1Low61.8Low174 Ų174112.3 Ų112.389%0.89267%0.671SS**  trans-75.370.2159.5-49.6170.2000106.8
464S52.5Low63.8Low88 Ų88111.2 Ų111.262%0.61566%0.657SS**  trans-57.8131170.7-66.20000107.9G462 I466G462-S464 PolarHBondContact O-N 3.34Å; S464-I466 WeakPolarHBondContact O-CG1 3.13Å; S464-I466 PolarHBondContact O-N 3.22Å
465P55.9Low66Low133 Ų133109.4 Ų109.486%0.86464%0.643SS**  trans-52.5106.2178.6-28.936.1000110.5D467P465-D467 PolarHBondContact O-N 3.31Å; P465-D467 VanDerWaalsContact O-N 3.12Å
466I66.7Low68.3Low95 Ų95109 Ų10949%0.48763%0.627SS.*  trans-74.9109.2179-54.7175.5000105.8S464 L470 Q471S464-I466 WeakPolarHBondContact O-CG1 3.13Å; S464-I466 PolarHBondContact O-N 3.22Å; I466-L470 HydrophobicContact CG2-CD2 3.89Å; I466-Q471 HydrophobicContact CG2-CB 3.72Å; I466-Q471 HydrophobicContact CG2-CG 4Å
467D78.3Confident70.6Confident87 Ų87107.2 Ų107.247%0.46561%0.606SS.*  trans-37.9120168.5169.813.7000109.9P465 D469 L470 Q471P465-D467 PolarHBondContact O-N 3.31Å; P465-D467 VanDerWaalsContact O-N 3.12Å; D467-D469 PolarHBondContact O-N 3.37Å; D467-D469 PolarHBondContact OD1-N 3.11Å; D467-L470 HydrophobicContact CB-CB 4.01Å; D467-L470 WeakPolarHBondContact O-CB 3.31Å; D467-L470 PolarHBondContact O-N 2.9Å; D467-Q471 PolarHBondContact O-N 2.88Å
468P80Confident73.1Confident87 Ų87109.3 Ų109.357%0.56560%0.601SS**Hα-helixtrans-54.4-41.7-172.620.1-32.7000111.8L470 Q471 E472P468-L470 VanDerWaalsContact C-N 3.31Å; P468-L470 PolarHBondContact O-N 3.05Å; P468-Q471 PolarHBondContact O-N 3.44Å; P468-E472 WeakPolarHBondContact O-CG 3.48Å; P468-E472 PolarHBondContact O-N 3.44Å
469D87Confident75.6Confident102 Ų102111.8 Ų111.855%0.54560%0.596SS.*Hα-helixtrans-62.9-38.1179.8-75-1.9000112D467 R473D467-D469 PolarHBondContact O-N 3.37Å; D467-D469 PolarHBondContact OD1-N 3.11Å; D469-R473 VanDerWaalsContact O-CB 3.25Å; D469-R473 WeakPolarHBondContact O-CB 3.24Å; D469-R473 PolarHBondContact O-N 3.4Å
470L89.3Confident78.2Confident78 Ų78109 Ų10941%0.40858%0.58SS.*Hα-helixtrans-70.6-40176.9-174.9137.6000111.2I466 D467 P468 R473 I474I466-L470 HydrophobicContact CG2-CD2 3.89Å; D467-L470 HydrophobicContact CB-CB 4.01Å; D467-L470 WeakPolarHBondContact O-CB 3.31Å; D467-L470 PolarHBondContact O-N 2.9Å; P468-L470 VanDerWaalsContact C-N 3.31Å; P468-L470 PolarHBondContact O-N 3.05Å; L470-R473 PolarHBondContact O-N 3.47Å; L470-I474 HydrophobicContact CD2-CD1 3.64Å; L470-I474 HydrophobicContact CG-CD1 4.26Å; L470-I474 WeakPolarHBondContact O-CG1 3.32Å; L470-I474 PolarHBondContact O-N 3.44Å; L470-I474 VanDerWaalsContact O-N 3.08Å
471Q88.9Confident80.6Confident78 Ų78106.2 Ų106.236%0.36456%0.556SS.*Hα-helixtrans-63.9-43175.4-151.8-167.261.800111.4I466 D467 P468 I474 K475I466-Q471 HydrophobicContact CG2-CB 3.72Å; I466-Q471 HydrophobicContact CG2-CG 4Å; D467-Q471 PolarHBondContact O-N 2.88Å; P468-Q471 PolarHBondContact O-N 3.44Å; Q471-I474 PolarHBondContact O-N 3.33Å; Q471-K475 HydrophobicContact CG-CD 4.48Å; Q471-K475 WeakPolarHBondContact O-CB 3.46Å; Q471-K475 VanDerWaalsContact O-CG 3.26Å; Q471-K475 WeakPolarHBondContact O-CG 3.41Å; Q471-K475 PolarHBondContact O-N 3.47Å
472E90Very high83Confident117 Ų117107.2 Ų107.255%0.54754%0.54SS..Hα-helixtrans-64.2-45.6175.8-73-160.2173.100112.4P468 I474 K475 L476P468-E472 WeakPolarHBondContact O-CG 3.48Å; P468-E472 PolarHBondContact O-N 3.44Å; E472-I474 VanDerWaalsContact C-N 3.31Å; E472-I474 PolarHBondContact O-N 2.98Å; E472-K475 WeakPolarHBondContact O-CB 3.05Å; E472-K475 PolarHBondContact O-N 3.1Å; E472-K475 VanDerWaalsContact O-N 3.15Å; E472-L476 WeakPolarHBondContact O-CB 3.42Å; E472-L476 WeakPolarHBondContact O-CG 3.48Å; E472-L476 PolarHBondContact O-N 3.41Å
473R93.9Very high85.6Confident168 Ų168109.4 Ų109.463%0.63454%0.536SS*.Hα-helixtrans-57.1-43.2176.9-169.2177.1-61.2148.27.9111.9D469 L470 L476 E477D469-R473 VanDerWaalsContact O-CB 3.25Å; D469-R473 WeakPolarHBondContact O-CB 3.24Å; D469-R473 PolarHBondContact O-N 3.4Å; L470-R473 PolarHBondContact O-N 3.47Å; R473-L476 PolarHBondContact O-N 2.93Å; R473-E477 PolarHBondContact O-N 3.34Å
474I90.9Very high87.6Confident77 Ų77107.5 Ų107.540%0.39552%0.517SS..Hα-helixtrans-67.9-43.2176.2-66.8169000111.3L470 Q471 E472 L476 E477 R478L470-I474 HydrophobicContact CD2-CD1 3.64Å; L470-I474 HydrophobicContact CG-CD1 4.26Å; L470-I474 WeakPolarHBondContact O-CG1 3.32Å; L470-I474 PolarHBondContact O-N 3.44Å; L470-I474 VanDerWaalsContact O-N 3.08Å; Q471-I474 PolarHBondContact O-N 3.33Å; E472-I474 VanDerWaalsContact C-N 3.31Å; E472-I474 PolarHBondContact O-N 2.98Å; I474-L476 VanDerWaalsContact C-N 3.32Å; I474-L476 PolarHBondContact O-N 3.25Å; I474-E477 PolarHBondContact O-N 3.08Å; I474-R478 WeakPolarHBondContact O-CB 3.32Å; I474-R478 VanDerWaalsContact O-CG 3.31Å; I474-R478 WeakPolarHBondContact O-CG 3.38Å; I474-R478 PolarHBondContact O-N 3.31Å
475K94.6Very high89.8Confident108 Ų108108 Ų10847%0.4751%0.512SS..Hα-helixtrans-59.3-43175.1-76.2164.8171.9172.80111.3Q471 E472 K479Q471-K475 HydrophobicContact CG-CD 4.48Å; Q471-K475 WeakPolarHBondContact O-CB 3.46Å; Q471-K475 VanDerWaalsContact O-CG 3.26Å; Q471-K475 WeakPolarHBondContact O-CG 3.41Å; Q471-K475 PolarHBondContact O-N 3.47Å; E472-K475 WeakPolarHBondContact O-CB 3.05Å; E472-K475 PolarHBondContact O-N 3.1Å; E472-K475 VanDerWaalsContact O-N 3.15Å; K475-K479 WeakPolarHBondContact O-CG 3.47Å; K475-K479 PolarHBondContact O-N 3.33Å
476L93.9Very high91.8Very high85 Ų85104.1 Ų104.145%0.44549%0.492SS..Hα-helixtrans-67.2-44.7178.1-74.3171.9000112.2E472 R473 I474 R478 K479 R480E472-L476 WeakPolarHBondContact O-CB 3.42Å; E472-L476 WeakPolarHBondContact O-CG 3.48Å; E472-L476 PolarHBondContact O-N 3.41Å; R473-L476 PolarHBondContact O-N 2.93Å; I474-L476 VanDerWaalsContact C-N 3.32Å; I474-L476 PolarHBondContact O-N 3.25Å; L476-R478 PolarHBondContact O-N 3.25Å; L476-K479 WeakPolarHBondContact O-CB 3.31Å; L476-K479 PolarHBondContact O-N 3.41Å; L476-K479 VanDerWaalsContact O-N 3.15Å; L476-R480 WeakPolarHBondContact O-CG 3.3Å; L476-R480 PolarHBondContact O-N 3.35Å
477E96.2Very high93.3Very high76 Ų76101.3 Ų101.336%0.35548%0.483SS..Hα-helixtrans-68.7-34.7178.8-168.550.7-138.900112R473 I474 K479 R480 A481 R484R473-E477 PolarHBondContact O-N 3.34Å; I474-E477 PolarHBondContact O-N 3.08Å; E477-K479 PolarHBondContact O-N 3.22Å; E477-R480 PolarHBondContact O-N 3.09Å; E477-R480 VanDerWaalsContact OE2-CD 3.23Å; E477-R480 WeakPolarHBondContact OE2-CD 3.36Å; E477-R480 IonicContact OE2-NH1 2.76Å; E477-A481 WeakPolarHBondContact O-CB 3.46Å; E477-A481 PolarHBondContact O-N 2.91Å; E477-R484 IonicContact OE1-CZ 3.01Å; E477-R484 VanDerWaalsContact OE1-CZ 3.23Å; E477-R484 IonicContact OE1-NH1 2.78Å; E477-R484 PolarHBondContact OE1-NH1 2.83Å; E477-R484 IonicContact OE1-NH2 3.81Å; E477-R484 PolarHBondContact OE1-NH2 3.4Å
478R96.6Very high94.3Very high164 Ų164101.5 Ų101.562%0.61949%0.487SS*.Hα-helixtrans-61.9-40.3168.8-71.5176.4-177.6-174.12.4112.2I474 L476 R482I474-R478 WeakPolarHBondContact O-CB 3.32Å; I474-R478 VanDerWaalsContact O-CG 3.31Å; I474-R478 WeakPolarHBondContact O-CG 3.38Å; I474-R478 PolarHBondContact O-N 3.31Å; L476-R478 PolarHBondContact O-N 3.25Å; R478-R482 WeakPolarHBondContact O-CG 3.44Å; R478-R482 PolarHBondContact O-N 3.47Å; R478-R482 VanDerWaalsContact O-N 3.1Å
479K96.9Very high95.2Very high131 Ų131102.7 Ų102.757%0.5748%0.483SS*.Hα-helixtrans-62.8-45.4173.4-76.3174.4177.3-178.10111.2K475 L476 E477 R482 N483K475-K479 WeakPolarHBondContact O-CG 3.47Å; K475-K479 PolarHBondContact O-N 3.33Å; L476-K479 WeakPolarHBondContact O-CB 3.31Å; L476-K479 PolarHBondContact O-N 3.41Å; L476-K479 VanDerWaalsContact O-N 3.15Å; E477-K479 PolarHBondContact O-N 3.22Å; K479-R482 PolarHBondContact O-N 3.16Å; K479-N483 WeakPolarHBondContact O-CB 3.36Å; K479-N483 PolarHBondContact O-N 3.43Å
480R97.5Very high95.7Very high152 Ų152101.8 Ų101.857%0.57448%0.484SS*.Hα-helixtrans-62.2-46.8176.7-71.3169.8175.7-178.3-0.4111.9L476 E477 R482 N483 R484L476-R480 WeakPolarHBondContact O-CG 3.3Å; L476-R480 PolarHBondContact O-N 3.35Å; E477-R480 PolarHBondContact O-N 3.09Å; E477-R480 VanDerWaalsContact OE2-CD 3.23Å; E477-R480 WeakPolarHBondContact OE2-CD 3.36Å; E477-R480 IonicContact OE2-NH1 2.76Å; R480-R482 PolarHBondContact O-N 3.06Å; R480-N483 PolarHBondContact O-N 3.03Å; R480-N483 VanDerWaalsContact O-N 3.15Å; R480-R484 WeakPolarHBondContact O-CG 3.35Å; R480-R484 PolarHBondContact O-N 3.33Å
481A97.3Very high96.2Very high31 Ų31106.7 Ų106.726%0.25650%0.497SS..Hα-helixtrans-58.4-45.8176.600000112.4E477 N483 R484 I485E477-A481 WeakPolarHBondContact O-CB 3.46Å; E477-A481 PolarHBondContact O-N 2.91Å; A481-N483 PolarHBondContact O-N 3.48Å; A481-R484 PolarHBondContact O-N 3.14Å; A481-I485 WeakPolarHBondContact O-CG1 3.41Å; A481-I485 PolarHBondContact O-N 2.94Å; A481-I485 VanDerWaalsContact O-N 3.13Å
482R97.5Very high96.6Very high153 Ų153110.1 Ų110.158%0.57751%0.507SS*.Hα-helixtrans-61.9-41.7173.6-73.7-170.4-63.1-97.83.4112.3R478 K479 R480 I485 A486R478-R482 WeakPolarHBondContact O-CG 3.44Å; R478-R482 PolarHBondContact O-N 3.47Å; R478-R482 VanDerWaalsContact O-N 3.1Å; K479-R482 PolarHBondContact O-N 3.16Å; R480-R482 PolarHBondContact O-N 3.06Å; R482-I485 PolarHBondContact O-N 3.18Å; R482-A486 WeakPolarHBondContact O-CB 3.3Å; R482-A486 PolarHBondContact O-N 3.38Å
483N98.3Very high97Very high113 Ų113111.9 Ų111.960%0.60451%0.508SS*.Hα-helixtrans-65.5-40.2177.4-175.6-89.7000112.3K479 R480 A481 I485 A486 A487K479-N483 WeakPolarHBondContact O-CB 3.36Å; K479-N483 PolarHBondContact O-N 3.43Å; R480-N483 PolarHBondContact O-N 3.03Å; R480-N483 VanDerWaalsContact O-N 3.15Å; A481-N483 PolarHBondContact O-N 3.48Å; N483-I485 PolarHBondContact O-N 3.49Å; N483-A486 PolarHBondContact O-N 3.21Å; N483-A487 WeakPolarHBondContact O-CB 3.48Å; N483-A487 PolarHBondContact O-N 3.15Å
484R98.1Very high97.3Very high134 Ų134110.9 Ų110.951%0.50651%0.508SS..Hα-helixtrans-55.5-49.7172.3-70.6-171.5-64.7-99.46.7111.1E477 R480 A481 A487 T488E477-R484 IonicContact OE1-CZ 3.01Å; E477-R484 VanDerWaalsContact OE1-CZ 3.23Å; E477-R484 IonicContact OE1-NH1 2.78Å; E477-R484 PolarHBondContact OE1-NH1 2.83Å; E477-R484 IonicContact OE1-NH2 3.81Å; E477-R484 PolarHBondContact OE1-NH2 3.4Å; R480-R484 WeakPolarHBondContact O-CG 3.35Å; R480-R484 PolarHBondContact O-N 3.33Å; A481-R484 PolarHBondContact O-N 3.14Å; R484-A487 PolarHBondContact O-N 3.49Å; R484-T488 PolarHBondContact O-N 3.05Å; R484-T488 VanDerWaalsContact O-N 3.09Å; R484-T488 PolarHBondContact O-OG1 3.43Å
485I97.8Very high97.6Very high99 Ų99111.9 Ų111.951%0.50851%0.514SS..Hα-helixtrans-63.4-42.7177.6-64.3165.6000111.2A481 R482 N483 T488 K489A481-I485 WeakPolarHBondContact O-CG1 3.41Å; A481-I485 PolarHBondContact O-N 2.94Å; A481-I485 VanDerWaalsContact O-N 3.13Å; R482-I485 PolarHBondContact O-N 3.18Å; N483-I485 PolarHBondContact O-N 3.49Å; I485-T488 PolarHBondContact O-N 3.5Å; I485-K489 HydrophobicContact CG2-CD 4.21Å; I485-K489 HydrophobicContact CG2-CG 4.48Å; I485-K489 WeakPolarHBondContact O-CB 3.49Å; I485-K489 WeakPolarHBondContact O-CG 3.28Å; I485-K489 PolarHBondContact O-N 3.26Å
486A98.3Very high97.8Very high52 Ų52111 Ų11143%0.4351%0.511SS..Hα-helixtrans-64.4-41.4178.600000112.3R482 N483 K489 C490R482-A486 WeakPolarHBondContact O-CB 3.3Å; R482-A486 PolarHBondContact O-N 3.38Å; N483-A486 PolarHBondContact O-N 3.21Å; A486-K489 CarbonylContact O-C 3.57Å; A486-K489 PolarHBondContact O-N 3.45Å; A486-C490 VanDerWaalsContact O-CB 3.28Å; A486-C490 WeakPolarHBondContact O-CB 3.41Å; A486-C490 PolarHBondContact O-N 2.87Å
487A98.4Very high98Very high36 Ų36111.5 Ų111.530%0.29851%0.51SS..Hα-helixtrans-63-43.8175.800000111.6N483 R484 C490 R491N483-A487 WeakPolarHBondContact O-CB 3.48Å; N483-A487 PolarHBondContact O-N 3.15Å; R484-A487 PolarHBondContact O-N 3.49Å; A487-C490 WeakPolarHBondContact O-CB 3.42Å; A487-C490 PolarHBondContact O-N 3.22Å; A487-R491 WeakPolarHBondContact O-CG 3.49Å; A487-R491 PolarHBondContact O-N 2.89Å
488T98.3Very high98.1Very high91 Ų91111.3 Ų111.356%0.55851%0.51SS*.Hα-helixtrans-62.2-46.2173.4-58.30000111.6R484 I485 C490 R491 R492R484-T488 PolarHBondContact O-N 3.05Å; R484-T488 VanDerWaalsContact O-N 3.09Å; R484-T488 PolarHBondContact O-OG1 3.43Å; I485-T488 PolarHBondContact O-N 3.5Å; T488-C490 PolarHBondContact O-N 2.96Å; T488-R491 PolarHBondContact O-N 3.1Å; T488-R492 WeakPolarHBondContact O-CB 3.4Å; T488-R492 PolarHBondContact O-N 3.49Å
489K98.7Very high98.2Very high112 Ų112107.4 Ų107.449%0.48750%0.502SS..Hα-helixtrans-64.6-25.2175.4-73.1-175.9178.3-171.90113.7I485 A486 R493I485-K489 HydrophobicContact CG2-CD 4.21Å; I485-K489 HydrophobicContact CG2-CG 4.48Å; I485-K489 WeakPolarHBondContact O-CB 3.49Å; I485-K489 WeakPolarHBondContact O-CG 3.28Å; I485-K489 PolarHBondContact O-N 3.26Å; A486-K489 CarbonylContact O-C 3.57Å; A486-K489 PolarHBondContact O-N 3.45Å; K489-R493 WeakPolarHBondContact O-CB 3.48Å; K489-R493 WeakPolarHBondContact O-CG 3.49Å; K489-R493 PolarHBondContact O-N 3.37Å; K489-R493 PolarHBondContact O-NE 3.13Å; K489-R493 VanDerWaalsContact O-NE 3.1Å
490C98.6Very high98.3Very high82 Ų82105.3 Ų105.355%0.55449%0.494SS*.Hα-helixtrans-76.8-49.7174.4-1760000110.7A486 A487 T488 R492 R493 K494A486-C490 VanDerWaalsContact O-CB 3.28Å; A486-C490 WeakPolarHBondContact O-CB 3.41Å; A486-C490 PolarHBondContact O-N 2.87Å; A487-C490 WeakPolarHBondContact O-CB 3.42Å; A487-C490 PolarHBondContact O-N 3.22Å; T488-C490 PolarHBondContact O-N 2.96Å; C490-R492 VanDerWaalsContact C-N 3.34Å; C490-R492 PolarHBondContact O-N 3.15Å; C490-R493 PolarHBondContact O-N 2.74Å; C490-K494 PolarHBondContact O-N 3.37Å
491R98.6Very high98.4Very high182 Ų182101.9 Ų101.969%0.68749%0.486SS*.Hα-helixtrans-56.9-45.9174.8-70.7173.8-177-176.10111.8A487 T488 K494 I495A487-R491 WeakPolarHBondContact O-CG 3.49Å; A487-R491 PolarHBondContact O-N 2.89Å; T488-R491 PolarHBondContact O-N 3.1Å; R491-K494 PolarHBondContact O-N 3.44Å; R491-I495 WeakPolarHBondContact O-CG1 3.36Å; R491-I495 PolarHBondContact O-N 2.85Å
492R98.6Very high98.4Very high150 Ų150106 Ų10657%0.56650%0.501SS*.Hα-helixtrans-59.2-50178.2-158.3-17373.6-171.45.3111.7T488 C490 K494 I495 E496T488-R492 WeakPolarHBondContact O-CB 3.4Å; T488-R492 PolarHBondContact O-N 3.49Å; C490-R492 VanDerWaalsContact C-N 3.34Å; C490-R492 PolarHBondContact O-N 3.15Å; R492-K494 VanDerWaalsContact C-N 3.3Å; R492-K494 PolarHBondContact O-N 3.41Å; R492-I495 PolarHBondContact O-N 2.81Å; R492-I495 VanDerWaalsContact O-N 3.11Å; R492-E496 WeakPolarHBondContact CD-OE1 3.45Å; R492-E496 WeakPolarHBondContact CG-OE1 3.42Å; R492-E496 IonicContact CZ-OE1 3.23Å; R492-E496 IonicContact NE-OE1 3.73Å; R492-E496 PolarHBondContact NE-OE1 3.31Å; R492-E496 IonicContact NH2-OE1 2.74Å; R492-E496 VanDerWaalsContact O-CG 3.31Å; R492-E496 WeakPolarHBondContact O-CG 3.47Å; R492-E496 PolarHBondContact O-N 2.83Å
493R98.6Very high98.5Very high153 Ų153102.4 Ų102.458%0.57750%0.495SS*.Hα-helixtrans-62-32.7176.4-80.5-175.7-78.9-170.10.6113.8K489 C490 E496 K497K489-R493 WeakPolarHBondContact O-CB 3.48Å; K489-R493 WeakPolarHBondContact O-CG 3.49Å; K489-R493 PolarHBondContact O-N 3.37Å; K489-R493 PolarHBondContact O-NE 3.13Å; K489-R493 VanDerWaalsContact O-NE 3.1Å; C490-R493 PolarHBondContact O-N 2.74Å; R493-E496 WeakPolarHBondContact CA-OE2 3.34Å; R493-E496 VanDerWaalsContact CG-OE2 3.32Å; R493-E496 WeakPolarHBondContact CG-OE2 3.35Å; R493-K497 WeakPolarHBondContact O-CB 3.28Å; R493-K497 PolarHBondContact O-N 3.23Å
494K98.7Very high98.5Very high148 Ų148101.6 Ų101.664%0.64348%0.484SS*.Hα-helixtrans-66.1-42.3173.1-173.3174.2179.4177.60111.6C490 R491 R492 K497 I498C490-K494 PolarHBondContact O-N 3.37Å; R491-K494 PolarHBondContact O-N 3.44Å; R492-K494 VanDerWaalsContact C-N 3.3Å; R492-K494 PolarHBondContact O-N 3.41Å; K494-K497 PolarHBondContact O-N 3.23Å; K494-I498 HydrophobicContact CG-CD1 4.09Å; K494-I498 WeakPolarHBondContact O-CD1 3.48Å; K494-I498 VanDerWaalsContact O-CG1 3.28Å; K494-I498 WeakPolarHBondContact O-CG1 3.31Å; K494-I498 PolarHBondContact O-N 3.41Å
495I98.4Very high98.5Very high98 Ų98100 Ų10050%0.50349%0.489SS..Hα-helixtrans-68-48.9177.1-63.4162000110.4R491 R492 K497 I498 N499R491-I495 WeakPolarHBondContact O-CG1 3.36Å; R491-I495 PolarHBondContact O-N 2.85Å; R492-I495 PolarHBondContact O-N 2.81Å; R492-I495 VanDerWaalsContact O-N 3.11Å; I495-K497 PolarHBondContact O-N 3.34Å; I495-I498 PolarHBondContact O-N 3.05Å; I495-N499 PolarHBondContact O-N 3.08Å; I495-N499 PolarHBondContact O-OD1 3.27Å
496E98.7Very high98.6Very high89 Ų89103.7 Ų103.742%0.41650%0.498SS..Hα-helixtrans-49.1-44173.1-70.4161.6-173.600110.9R492 R493 E500R492-E496 WeakPolarHBondContact CD-OE1 3.45Å; R492-E496 WeakPolarHBondContact CG-OE1 3.42Å; R492-E496 IonicContact CZ-OE1 3.23Å; R492-E496 IonicContact NE-OE1 3.73Å; R492-E496 PolarHBondContact NE-OE1 3.31Å; R492-E496 IonicContact NH2-OE1 2.74Å; R492-E496 VanDerWaalsContact O-CG 3.31Å; R492-E496 WeakPolarHBondContact O-CG 3.47Å; R492-E496 PolarHBondContact O-N 2.83Å; R493-E496 WeakPolarHBondContact CA-OE2 3.34Å; R493-E496 VanDerWaalsContact CG-OE2 3.32Å; R493-E496 WeakPolarHBondContact CG-OE2 3.35Å; E496-E500 WeakPolarHBondContact O-CB 3.37Å; E496-E500 PolarHBondContact O-N 3.01Å
497K98.6Very high98.6Very high96 Ų96105.9 Ų105.942%0.41750%0.499SS..Hα-helixtrans-73-32179.2-169.153.9172.6-170.90114.6R493 K494 I495 E500 L501R493-K497 WeakPolarHBondContact O-CB 3.28Å; R493-K497 PolarHBondContact O-N 3.23Å; K494-K497 PolarHBondContact O-N 3.23Å; I495-K497 PolarHBondContact O-N 3.34Å; K497-E500 WeakPolarHBondContact CD-OE2 3.37Å; K497-E500 WeakPolarHBondContact CE-OE2 3.23Å; K497-E500 IonicContact NZ-OE1 3.49Å; K497-E500 PolarHBondContact NZ-OE1 3.48Å; K497-E500 IonicContact NZ-OE2 2.65Å; K497-E500 PolarHBondContact NZ-OE2 2.99Å; K497-L501 HydrophobicContact CG-CD1 4.33Å; K497-L501 WeakPolarHBondContact O-CD1 3.35Å; K497-L501 VanDerWaalsContact O-CG 3.3Å; K497-L501 WeakPolarHBondContact O-CG 3.41Å; K497-L501 PolarHBondContact O-N 2.93Å
498I98.3Very high98.6Very high72 Ų72108.6 Ų108.637%0.36951%0.508SS..Hα-helixtrans-64.9-52.3174.2-73.7163.1000108.9K494 I495 E500 L501 E502K494-I498 HydrophobicContact CG-CD1 4.09Å; K494-I498 WeakPolarHBondContact O-CD1 3.48Å; K494-I498 VanDerWaalsContact O-CG1 3.28Å; K494-I498 WeakPolarHBondContact O-CG1 3.31Å; K494-I498 PolarHBondContact O-N 3.41Å; I495-I498 PolarHBondContact O-N 3.05Å; I498-E500 VanDerWaalsContact C-N 3.31Å; I498-E500 PolarHBondContact O-N 3.15Å; I498-L501 WeakPolarHBondContact O-CB 3.48Å; I498-L501 PolarHBondContact O-N 3.43Å; I498-E502 HydrophobicContact CG2-CG 4.33Å; I498-E502 VanDerWaalsContact CG2-OE1 3.3Å; I498-E502 WeakPolarHBondContact CG2-OE1 3.45Å; I498-E502 WeakPolarHBondContact O-CG 3.44Å; I498-E502 PolarHBondContact O-N 2.81Å
499N98.7Very high98.6Very high82 Ų82107.8 Ų107.844%0.43951%0.505SS..Hα-helixtrans-57.1-44.1178.4-60.618.9000111.5I495 L501 E502 T503I495-N499 PolarHBondContact O-N 3.08Å; I495-N499 PolarHBondContact O-OD1 3.27Å; N499-L501 PolarHBondContact O-N 3.4Å; N499-E502 PolarHBondContact O-N 3.16Å; N499-T503 PolarHBondContact O-N 2.8Å; N499-T503 PolarHBondContact O-OG1 2.76Å; N499-T503 VanDerWaalsContact O-OG1 3.1Å
500E98.6Very high98.6Very high86 Ų86104.5 Ų104.540%0.40250%0.5SS..Hα-helixtrans-62.7-27.3177.2-166.9-144.7127.400113.6E496 K497 I498 R504E496-E500 WeakPolarHBondContact O-CB 3.37Å; E496-E500 PolarHBondContact O-N 3.01Å; K497-E500 WeakPolarHBondContact CD-OE2 3.37Å; K497-E500 WeakPolarHBondContact CE-OE2 3.23Å; K497-E500 IonicContact NZ-OE1 3.49Å; K497-E500 PolarHBondContact NZ-OE1 3.48Å; K497-E500 IonicContact NZ-OE2 2.65Å; K497-E500 PolarHBondContact NZ-OE2 2.99Å; I498-E500 VanDerWaalsContact C-N 3.31Å; I498-E500 PolarHBondContact O-N 3.15Å; E500-R504 WeakPolarHBondContact O-CG 3.33Å; E500-R504 PolarHBondContact O-NE 2.96Å; E500-R504 IonicContact OE1-CZ 3.52Å; E500-R504 IonicContact OE1-NE 3.27Å; E500-R504 PolarHBondContact OE1-NE 3.16Å; E500-R504 IonicContact OE1-NH2 2.72Å; E500-R504 PolarHBondContact OE1-NH2 3.47Å
501L98.7Very high98.6Very high80 Ų80106.3 Ų106.342%0.41950%0.5SS..Hα-helixtrans-82.1-41.1174.2-73.6166.5000111.2K497 I498 N499 R504 V505K497-L501 HydrophobicContact CG-CD1 4.33Å; K497-L501 WeakPolarHBondContact O-CD1 3.35Å; K497-L501 VanDerWaalsContact O-CG 3.3Å; K497-L501 WeakPolarHBondContact O-CG 3.41Å; K497-L501 PolarHBondContact O-N 2.93Å; I498-L501 WeakPolarHBondContact O-CB 3.48Å; I498-L501 PolarHBondContact O-N 3.43Å; N499-L501 PolarHBondContact O-N 3.4Å; L501-R504 VanDerWaalsContact CD2-NH2 3.35Å; L501-R504 PolarHBondContact O-N 3.12Å; L501-V505 WeakPolarHBondContact O-CG2 3.28Å; L501-V505 PolarHBondContact O-N 3.3Å
502E98.6Very high98.6Very high119 Ų119102.2 Ų102.256%0.55649%0.491SS*.Hα-helixtrans-61.2-45.1176.6-70.6169.6167.800111.6I498 N499 R504 V505 Y506I498-E502 HydrophobicContact CG2-CG 4.33Å; I498-E502 VanDerWaalsContact CG2-OE1 3.3Å; I498-E502 WeakPolarHBondContact CG2-OE1 3.45Å; I498-E502 WeakPolarHBondContact O-CG 3.44Å; I498-E502 PolarHBondContact O-N 2.81Å; N499-E502 PolarHBondContact O-N 3.16Å; E502-R504 PolarHBondContact O-N 3.23Å; E502-V505 PolarHBondContact O-N 3.41Å; E502-Y506 PolarHBondContact O-N 3.06Å
503T98.6Very high98.6Very high76 Ų76101.6 Ų101.647%0.46649%0.493SS..Hα-helixtrans-58.7-47173.7-56.70000111.8N499 V505 Y506 E507N499-T503 PolarHBondContact O-N 2.8Å; N499-T503 PolarHBondContact O-OG1 2.76Å; N499-T503 VanDerWaalsContact O-OG1 3.1Å; T503-V505 PolarHBondContact O-N 3.29Å; T503-Y506 WeakPolarHBondContact O-CB 3.32Å; T503-Y506 PolarHBondContact O-N 2.85Å; T503-E507 HydrophobicContact CG2-CG 4.49Å; T503-E507 WeakPolarHBondContact O-CG 3.49Å; T503-E507 PolarHBondContact O-N 3Å
504R98.6Very high98.6Very high96 Ų9698.2 Ų98.236%0.36249%0.489SS..Hα-helixtrans-68.1-33.9179.7-76.8-175.2-72.4133.9-7.2113.2E500 L501 E502 Y506 I508E500-R504 WeakPolarHBondContact O-CG 3.33Å; E500-R504 PolarHBondContact O-NE 2.96Å; E500-R504 IonicContact OE1-CZ 3.52Å; E500-R504 IonicContact OE1-NE 3.27Å; E500-R504 PolarHBondContact OE1-NE 3.16Å; E500-R504 IonicContact OE1-NH2 2.72Å; E500-R504 PolarHBondContact OE1-NH2 3.47Å; L501-R504 VanDerWaalsContact CD2-NH2 3.35Å; L501-R504 PolarHBondContact O-N 3.12Å; E502-R504 PolarHBondContact O-N 3.23Å; R504-Y506 VanDerWaalsContact C-N 3.35Å; R504-I508 WeakPolarHBondContact O-CB 3.45Å; R504-I508 WeakPolarHBondContact O-CD1 3.42Å; R504-I508 VanDerWaalsContact O-CG1 3.24Å; R504-I508 WeakPolarHBondContact O-CG1 3.36Å; R504-I508 PolarHBondContact O-N 3.3Å
505V98.8Very high98.6Very high101 Ų10196.3 Ų96.361%0.61248%0.484SS*.Hα-helixtrans-64.3-41.8171.9167.60000110.5L501 E502 T503 S509L501-V505 WeakPolarHBondContact O-CG2 3.28Å; L501-V505 PolarHBondContact O-N 3.3Å; E502-V505 PolarHBondContact O-N 3.41Å; T503-V505 PolarHBondContact O-N 3.29Å; V505-S509 WeakPolarHBondContact O-CB 3.26Å; V505-S509 PolarHBondContact O-N 3.31Å
506Y98.5Very high98.6Very high177 Ų17795.4 Ų95.469%0.69448%0.483SS*.Hα-helixtrans-62.8-47.8175.2179.5-94.8000112.3E502 T503 R504 S509 A510E502-Y506 PolarHBondContact O-N 3.06Å; T503-Y506 WeakPolarHBondContact O-CB 3.32Å; T503-Y506 PolarHBondContact O-N 2.85Å; R504-Y506 VanDerWaalsContact C-N 3.35Å; Y506-S509 PolarHBondContact O-N 3.07Å; Y506-A510 WeakPolarHBondContact O-CB 3.27Å; Y506-A510 PolarHBondContact O-N 3.24Å
507E98.6Very high98.6Very high98 Ų9896.1 Ų96.146%0.45849%0.486SS..Hα-helixtrans-59.2-49.9177.3-72.3169.1174.800112.3T503 S509 A510 Q511T503-E507 HydrophobicContact CG2-CG 4.49Å; T503-E507 WeakPolarHBondContact O-CG 3.49Å; T503-E507 PolarHBondContact O-N 3Å; E507-S509 VanDerWaalsContact C-N 3.32Å; E507-S509 PolarHBondContact O-N 2.89Å; E507-A510 PolarHBondContact O-N 3.45Å; E507-Q511 WeakPolarHBondContact O-CG 3.47Å; E507-Q511 PolarHBondContact O-N 3.34Å
508I98.5Very high98.6Very high93 Ų9399.5 Ų99.548%0.47750%0.497SS..Hα-helixtrans-65.2-37.7179.1-68167.7000110.7R504 Q511 N512R504-I508 WeakPolarHBondContact O-CB 3.45Å; R504-I508 WeakPolarHBondContact O-CD1 3.42Å; R504-I508 VanDerWaalsContact O-CG1 3.24Å; R504-I508 WeakPolarHBondContact O-CG1 3.36Å; R504-I508 PolarHBondContact O-N 3.3Å; I508-Q511 PolarHBondContact O-N 2.93Å; I508-N512 VanDerWaalsContact O-CB 3.31Å; I508-N512 WeakPolarHBondContact O-CB 3.35Å; I508-N512 PolarHBondContact O-N 3.34Å; I508-N512 PolarHBondContact O-ND2 3.09Å
509S98.6Very high98.6Very high73 Ų73100 Ų10051%0.5150%0.499SS..Hα-helixtrans-63.7-43.5175-1740000112V505 Y506 E507 N512 K513V505-S509 WeakPolarHBondContact O-CB 3.26Å; V505-S509 PolarHBondContact O-N 3.31Å; Y506-S509 PolarHBondContact O-N 3.07Å; E507-S509 VanDerWaalsContact C-N 3.32Å; E507-S509 PolarHBondContact O-N 2.89Å; S509-N512 PolarHBondContact O-N 3.4Å; S509-K513 WeakPolarHBondContact O-CB 3.45Å; S509-K513 PolarHBondContact O-N 3.15Å
510A98.6Very high98.6Very high44 Ų4499.3 Ų99.336%0.36450%0.495SS..Hα-helixtrans-63.2-45.1175.100000111.9Y506 E507 K513 T514Y506-A510 WeakPolarHBondContact O-CB 3.27Å; Y506-A510 PolarHBondContact O-N 3.24Å; E507-A510 PolarHBondContact O-N 3.45Å; A510-K513 WeakPolarHBondContact O-CB 3.21Å; A510-K513 PolarHBondContact O-N 2.97Å; A510-T514 PolarHBondContact O-N 2.8Å; A510-T514 PolarHBondContact O-OG1 3.08Å
511Q98.6Very high98.5Very high119 Ų119100.9 Ų100.956%0.55651%0.506SS*.Hα-helixtrans-60.6-48.2175-72.4176.65.100111.7E507 I508 K513 T514 M515E507-Q511 WeakPolarHBondContact O-CG 3.47Å; E507-Q511 PolarHBondContact O-N 3.34Å; I508-Q511 PolarHBondContact O-N 2.93Å; Q511-K513 VanDerWaalsContact C-N 3.29Å; Q511-K513 PolarHBondContact O-N 3.43Å; Q511-T514 PolarHBondContact O-N 3.46Å; Q511-T514 VanDerWaalsContact O-N 3.13Å; Q511-M515 WeakPolarHBondContact O-CG 3.25Å; Q511-M515 PolarHBondContact O-N 2.95Å
512N98.4Very high98.5Very high96 Ų96101.5 Ų101.551%0.51351%0.509SS..Hα-helixtrans-58.3-41.6176.7-76.3-18.7000111.6I508 S509 T514 M515 V516I508-N512 VanDerWaalsContact O-CB 3.31Å; I508-N512 WeakPolarHBondContact O-CB 3.35Å; I508-N512 PolarHBondContact O-N 3.34Å; I508-N512 PolarHBondContact O-ND2 3.09Å; S509-N512 PolarHBondContact O-N 3.4Å; N512-T514 PolarHBondContact O-N 3.34Å; N512-M515 PolarHBondContact O-N 3.13Å; N512-V516 WeakPolarHBondContact O-CG2 2.99Å; N512-V516 PolarHBondContact O-N 3.5Å
513K98.5Very high98.5Very high137 Ų137103.2 Ų103.260%0.59651%0.51SS*.Hα-helixtrans-59.7-45.7174.7-175178.1180179.10111.8S509 A510 Q511 V516 Q517S509-K513 WeakPolarHBondContact O-CB 3.45Å; S509-K513 PolarHBondContact O-N 3.15Å; A510-K513 WeakPolarHBondContact O-CB 3.21Å; A510-K513 PolarHBondContact O-N 2.97Å; Q511-K513 VanDerWaalsContact C-N 3.29Å; Q511-K513 PolarHBondContact O-N 3.43Å; K513-V516 PolarHBondContact O-N 3.45Å; K513-Q517 WeakPolarHBondContact O-CB 3.48Å; K513-Q517 VanDerWaalsContact O-CG 3.28Å; K513-Q517 WeakPolarHBondContact O-CG 3.4Å; K513-Q517 PolarHBondContact O-N 2.66Å
514T98.4Very high98.5Very high82 Ų82104.2 Ų104.250%0.50352%0.517SS..Hα-helixtrans-64.4-39.3175.9-60.10000112.4A510 Q511 N512 Q517 R518A510-T514 PolarHBondContact O-N 2.8Å; A510-T514 PolarHBondContact O-OG1 3.08Å; Q511-T514 PolarHBondContact O-N 3.46Å; Q511-T514 VanDerWaalsContact O-N 3.13Å; N512-T514 PolarHBondContact O-N 3.34Å; T514-Q517 PolarHBondContact O-N 3.22Å; T514-R518 WeakPolarHBondContact O-CB 3.47Å; T514-R518 PolarHBondContact O-N 2.92Å
515M98.3Very high98.5Very high108 Ų108103 Ų10353%0.53252%0.517SS..Hα-helixtrans-66.7-42177.2-65.1-57169.700111.9Q511 N512 R518 I519Q511-M515 WeakPolarHBondContact O-CG 3.25Å; Q511-M515 PolarHBondContact O-N 2.95Å; N512-M515 PolarHBondContact O-N 3.13Å; M515-R518 PolarHBondContact O-N 3.01Å; M515-I519 VanDerWaalsContact O-CG1 3.29Å; M515-I519 WeakPolarHBondContact O-CG1 3.37Å; M515-I519 PolarHBondContact O-N 2.9Å
516V98.5Very high98.4Very high80 Ų80101.5 Ų101.549%0.48551%0.508SS..Hα-helixtrans-62-47.3173.8171.30000110.9N512 K513 R518 I519 D520N512-V516 WeakPolarHBondContact O-CG2 2.99Å; N512-V516 PolarHBondContact O-N 3.5Å; K513-V516 PolarHBondContact O-N 3.45Å; V516-R518 VanDerWaalsContact C-N 3.29Å; V516-R518 PolarHBondContact O-N 2.82Å; V516-I519 WeakPolarHBondContact O-CB 3.43Å; V516-I519 PolarHBondContact O-N 3.33Å; V516-I519 VanDerWaalsContact O-N 3.09Å; V516-D520 PolarHBondContact O-N 2.78Å
517Q98.6Very high98.4Very high103 Ų10396.4 Ų96.448%0.48150%0.496SS..Hα-helixtrans-55.9-42174.8-75.1173.4-28.700112.4K513 T514 D520 L521K513-Q517 WeakPolarHBondContact O-CB 3.48Å; K513-Q517 VanDerWaalsContact O-CG 3.28Å; K513-Q517 WeakPolarHBondContact O-CG 3.4Å; K513-Q517 PolarHBondContact O-N 2.66Å; T514-Q517 PolarHBondContact O-N 3.22Å; Q517-D520 PolarHBondContact O-N 3.42Å; Q517-L521 WeakPolarHBondContact O-CG 3.36Å; Q517-L521 PolarHBondContact O-N 3.35Å
518R98.6Very high98.4Very high168 Ų16898.8 Ų98.863%0.63450%0.5SS*.Hα-helixtrans-66.6-40.1176.2-173.4175.7-177.6169.60.8112.3T514 M515 V516 D520 L522T514-R518 WeakPolarHBondContact O-CB 3.47Å; T514-R518 PolarHBondContact O-N 2.92Å; M515-R518 PolarHBondContact O-N 3.01Å; V516-R518 VanDerWaalsContact C-N 3.29Å; V516-R518 PolarHBondContact O-N 2.82Å; R518-D520 VanDerWaalsContact C-N 3.34Å; R518-L522 HydrophobicContact CG-CD1 4.17Å; R518-L522 WeakPolarHBondContact O-CB 3.29Å; R518-L522 VanDerWaalsContact O-CG 3.28Å; R518-L522 WeakPolarHBondContact O-CG 3.43Å; R518-L522 PolarHBondContact O-N 3.14Å
519I98.5Very high98.3Very high81 Ų8199.3 Ų99.342%0.41550%0.503SS..Hα-helixtrans-61.8-43.1175-73164000110.4M515 V516 L522 R523M515-I519 VanDerWaalsContact O-CG1 3.29Å; M515-I519 WeakPolarHBondContact O-CG1 3.37Å; M515-I519 PolarHBondContact O-N 2.9Å; V516-I519 WeakPolarHBondContact O-CB 3.43Å; V516-I519 PolarHBondContact O-N 3.33Å; V516-I519 VanDerWaalsContact O-N 3.09Å; I519-L522 PolarHBondContact O-N 2.93Å; I519-R523 HydrophobicContact CG2-CG 4.41Å; I519-R523 WeakPolarHBondContact O-CB 3.45Å; I519-R523 VanDerWaalsContact O-CG 3.24Å; I519-R523 WeakPolarHBondContact O-CG 3.34Å; I519-R523 PolarHBondContact O-N 2.85Å
520D98.5Very high98.2Very high69 Ų69104.5 Ų104.537%0.36951%0.512SS..Hα-helixtrans-70.3-38.9-179.1-67.1-29.4000112.4V516 Q517 R518 R523 V524V516-D520 PolarHBondContact O-N 2.78Å; Q517-D520 PolarHBondContact O-N 3.42Å; R518-D520 VanDerWaalsContact C-N 3.34Å; D520-R523 PolarHBondContact O-N 2.98Å; D520-R523 IonicContact OD1-CZ 2.78Å; D520-R523 IonicContact OD1-NH1 3.33Å; D520-R523 PolarHBondContact OD1-NH1 3.18Å; D520-V524 WeakPolarHBondContact O-CG2 3.33Å; D520-V524 PolarHBondContact O-N 2.72Å
521L98.3Very high98.1Very high118 Ų118108.6 Ų108.662%0.61852%0.523SS*.Hα-helixtrans-58.2-48.1169.4-72.3171.7000111.7Q517 R523 V524 D525Q517-L521 WeakPolarHBondContact O-CG 3.36Å; Q517-L521 PolarHBondContact O-N 3.35Å; L521-R523 VanDerWaalsContact C-N 3.32Å; L521-R523 PolarHBondContact O-N 2.9Å; L521-V524 PolarHBondContact O-N 3.48Å; L521-D525 PolarHBondContact O-N 3.45Å
522L98.4Very high97.9Very high94 Ų94105.9 Ų105.949%0.49252%0.515SS..Hα-helixtrans-64.4-34.1178-71.5171.1000112.5R518 I519 D525 V526R518-L522 HydrophobicContact CG-CD1 4.17Å; R518-L522 WeakPolarHBondContact O-CB 3.29Å; R518-L522 VanDerWaalsContact O-CG 3.28Å; R518-L522 WeakPolarHBondContact O-CG 3.43Å; R518-L522 PolarHBondContact O-N 3.14Å; I519-L522 PolarHBondContact O-N 2.93Å; L522-D525 PolarHBondContact O-N 3.39Å; L522-V526 WeakPolarHBondContact O-CB 3.44Å; L522-V526 VanDerWaalsContact O-CG2 3.24Å; L522-V526 WeakPolarHBondContact O-CG2 3.19Å; L522-V526 PolarHBondContact O-N 3.32Å
523R98.3Very high97.7Very high154 Ų154105.3 Ų105.358%0.58151%0.511SS*.Hα-helixtrans-64.7-41.7173.2-76.1164170.7173.8-5.3111.9I519 D520 L521 T527I519-R523 HydrophobicContact CG2-CG 4.41Å; I519-R523 WeakPolarHBondContact O-CB 3.45Å; I519-R523 VanDerWaalsContact O-CG 3.24Å; I519-R523 WeakPolarHBondContact O-CG 3.34Å; I519-R523 PolarHBondContact O-N 2.85Å; D520-R523 PolarHBondContact O-N 2.98Å; D520-R523 IonicContact OD1-CZ 2.78Å; D520-R523 IonicContact OD1-NH1 3.33Å; D520-R523 PolarHBondContact OD1-NH1 3.18Å; L521-R523 VanDerWaalsContact C-N 3.32Å; L521-R523 PolarHBondContact O-N 2.9Å; R523-T527 WeakPolarHBondContact O-CB 3.41Å; R523-T527 PolarHBondContact O-N 3.3Å; R523-T527 PolarHBondContact O-OG1 3.2Å
524V98.3Very high97.4Very high98 Ų98102.4 Ų102.459%0.59450%0.499SS*.Hα-helixtrans-63.6-46.8174.5172.20000110.3D520 L521 T527 R528D520-V524 WeakPolarHBondContact O-CG2 3.33Å; D520-V524 PolarHBondContact O-N 2.72Å; L521-V524 PolarHBondContact O-N 3.48Å; V524-T527 PolarHBondContact O-N 3.48Å; V524-R528 WeakPolarHBondContact O-CB 3.39Å; V524-R528 PolarHBondContact O-N 3.42Å
525D98.3Very high97.3Very high69 Ų69105.1 Ų105.137%0.36950%0.504SS..Hα-helixtrans-64-41.9178.7-87.9-34000113.4L521 L522 T527 R528 L529L521-D525 PolarHBondContact O-N 3.45Å; L522-D525 PolarHBondContact O-N 3.39Å; D525-T527 VanDerWaalsContact C-N 3.28Å; D525-T527 PolarHBondContact O-N 3.12Å; D525-R528 PolarHBondContact O-N 3.02Å; D525-R528 IonicContact OD1-CZ 3.47Å; D525-R528 VanDerWaalsContact OD1-CZ 3.27Å; D525-R528 IonicContact OD1-NE 2.72Å; D525-R528 PolarHBondContact OD1-NE 3.37Å; D525-R528 IonicContact OD1-NH2 2.69Å; D525-R528 PolarHBondContact OD1-NH2 2.76Å; D525-L529 VanDerWaalsContact O-CB 3.27Å; D525-L529 WeakPolarHBondContact O-CB 3.32Å; D525-L529 PolarHBondContact O-N 3.22Å
526V98.1Very high97.1Very high70 Ų70104.1 Ų104.142%0.42450%0.498SS..Hα-helixtrans-62.1-37.6173.7167.50000111.2L522 R530L522-V526 WeakPolarHBondContact O-CB 3.44Å; L522-V526 VanDerWaalsContact O-CG2 3.24Å; L522-V526 WeakPolarHBondContact O-CG2 3.19Å; L522-V526 PolarHBondContact O-N 3.32Å; V526-R530 WeakPolarHBondContact O-CB 3.46Å; V526-R530 WeakPolarHBondContact O-CD 3.49Å; V526-R530 WeakPolarHBondContact O-CG 3.31Å; V526-R530 PolarHBondContact O-N 2.78Å
527T97.9Very high96.8Very high71 Ų71108 Ų10844%0.43650%0.503SS..Hα-helixtrans-68.9-49.7177.4-54.60000111R523 V524 D525 L529 R530 E531R523-T527 WeakPolarHBondContact O-CB 3.41Å; R523-T527 PolarHBondContact O-N 3.3Å; R523-T527 PolarHBondContact O-OG1 3.2Å; V524-T527 PolarHBondContact O-N 3.48Å; D525-T527 VanDerWaalsContact C-N 3.28Å; D525-T527 PolarHBondContact O-N 3.12Å; T527-L529 VanDerWaalsContact C-N 3.3Å; T527-L529 PolarHBondContact O-N 2.84Å; T527-R530 WeakPolarHBondContact O-CB 3.34Å; T527-R530 PolarHBondContact O-N 3.05Å; T527-R530 VanDerWaalsContact O-N 3.13Å; T527-E531 WeakPolarHBondContact O-CG 3.46Å; T527-E531 PolarHBondContact O-N 2.78Å
528R98.2Very high96.6Very high147 Ų147110 Ų11056%0.55552%0.515SS*.Hα-helixtrans-55.4-42.2174.5-179.4177.369.795.6-5.5112.5V524 D525 T532V524-R528 WeakPolarHBondContact O-CB 3.39Å; V524-R528 PolarHBondContact O-N 3.42Å; D525-R528 PolarHBondContact O-N 3.02Å; D525-R528 IonicContact OD1-CZ 3.47Å; D525-R528 VanDerWaalsContact OD1-CZ 3.27Å; D525-R528 IonicContact OD1-NE 2.72Å; D525-R528 PolarHBondContact OD1-NE 3.37Å; D525-R528 IonicContact OD1-NH2 2.69Å; D525-R528 PolarHBondContact OD1-NH2 2.76Å; R528-T532 WeakPolarHBondContact O-CB 3.25Å; R528-T532 PolarHBondContact O-N 2.84Å; R528-T532 PolarHBondContact O-OG1 3.08Å
529L96.9Very high96.4Very high104 Ų104107.6 Ų107.655%0.54552%0.515SS..Hα-helixtrans-69.1-41.8177.4-175.860.4000111.5D525 T527 T532 M533D525-L529 VanDerWaalsContact O-CB 3.27Å; D525-L529 WeakPolarHBondContact O-CB 3.32Å; D525-L529 PolarHBondContact O-N 3.22Å; T527-L529 VanDerWaalsContact C-N 3.3Å; T527-L529 PolarHBondContact O-N 2.84Å; L529-T532 PolarHBondContact O-N 3.02Å; L529-M533 HydrophobicContact CD1-CG 4.48Å; L529-M533 WeakPolarHBondContact O-CB 3.45Å; L529-M533 WeakPolarHBondContact O-CG 3.4Å; L529-M533 PolarHBondContact O-N 3.5Å
530R95.4Very high96.1Very high182 Ų182106.7 Ų106.769%0.68753%0.525SS*.Hα-helixtrans-60.9-43.8174.4-76.3169.3179-1600.1112.2V526 T527 T532 M533 Q534V526-R530 WeakPolarHBondContact O-CB 3.46Å; V526-R530 WeakPolarHBondContact O-CD 3.49Å; V526-R530 WeakPolarHBondContact O-CG 3.31Å; V526-R530 PolarHBondContact O-N 2.78Å; T527-R530 WeakPolarHBondContact O-CB 3.34Å; T527-R530 PolarHBondContact O-N 3.05Å; T527-R530 VanDerWaalsContact O-N 3.13Å; R530-T532 VanDerWaalsContact C-N 3.35Å; R530-M533 PolarHBondContact O-N 2.95Å; R530-Q534 VanDerWaalsContact O-CB 3.25Å; R530-Q534 WeakPolarHBondContact O-CB 3.26Å; R530-Q534 PolarHBondContact O-N 2.95Å
531E96.5Very high95.7Very high130 Ų130105.8 Ų105.861%0.60752%0.523SS*.Hα-helixtrans-62.1-42.1174.3-71.8171.5-178.800111.8T527 Q534 K535T527-E531 WeakPolarHBondContact O-CG 3.46Å; T527-E531 PolarHBondContact O-N 2.78Å; E531-Q534 PolarHBondContact O-N 3.04Å; E531-K535 WeakPolarHBondContact O-CB 3.38Å; E531-K535 PolarHBondContact O-N 2.87Å
532T95.5Very high95.2Very high62 Ų62106.4 Ų106.438%0.3853%0.532SS..Hα-helixtrans-63.1-49176.6-58.80000111R528 L529 R530 Q534 K535 H536R528-T532 WeakPolarHBondContact O-CB 3.25Å; R528-T532 PolarHBondContact O-N 2.84Å; R528-T532 PolarHBondContact O-OG1 3.08Å; L529-T532 PolarHBondContact O-N 3.02Å; R530-T532 VanDerWaalsContact C-N 3.35Å; T532-Q534 VanDerWaalsContact C-N 3.32Å; T532-Q534 PolarHBondContact O-N 2.8Å; T532-K535 PolarHBondContact O-N 2.76Å; T532-H536 PolarHBondContact O-CD2 3.05Å; T532-H536 VanDerWaalsContact O-CD2 3.24Å; T532-H536 PolarHBondContact O-N 3.32Å
533M93Very high94.4Very high85 Ų85106.5 Ų106.542%0.41953%0.528SS..Hα-helixtrans-60.2-40.6174.7-71.3-174.776.100112.1L529 R530 H536 R537 F543L529-M533 HydrophobicContact CD1-CG 4.48Å; L529-M533 WeakPolarHBondContact O-CB 3.45Å; L529-M533 WeakPolarHBondContact O-CG 3.4Å; L529-M533 PolarHBondContact O-N 3.5Å; R530-M533 PolarHBondContact O-N 2.95Å; M533-H536 PolarHBondContact O-N 3.46Å; M533-R537 WeakPolarHBondContact O-CB 3.49Å; M533-R537 PolarHBondContact O-N 3.41Å; M533-F543 HydrophobicContact CB-CE2 4.34Å; M533-F543 HydrophobicContact CB-CZ 4.44Å; M533-F543 HydrophobicContact CE-CD1 4.4Å; M533-F543 HydrophobicContact CE-CD2 4.22Å; M533-F543 HydrophobicContact CE-CE1 4.49Å; M533-F543 HydrophobicContact CE-CE2 4.31Å; M533-F543 HydrophobicContact CE-CG 4.27Å; M533-F543 HydrophobicContact CE-CZ 4.44Å; M533-F543 HydrophobicContact CG-CZ 4.35Å
534Q92.9Very high93.4Very high75 Ų75105 Ų10535%0.3553%0.532SS..Hα-helixtrans-62.8-43176.1-179.96424.200111.6R530 E531 T532 R537 M538R530-Q534 VanDerWaalsContact O-CB 3.25Å; R530-Q534 WeakPolarHBondContact O-CB 3.26Å; R530-Q534 PolarHBondContact O-N 2.95Å; E531-Q534 PolarHBondContact O-N 3.04Å; T532-Q534 VanDerWaalsContact C-N 3.32Å; T532-Q534 PolarHBondContact O-N 2.8Å; Q534-R537 PolarHBondContact O-N 2.83Å; Q534-M538 WeakPolarHBondContact O-CG 3.45Å; Q534-M538 PolarHBondContact O-N 2.84Å
535K95.6Very high92.1Very high140 Ų140105 Ų10561%0.60953%0.529SS*.Hα-helixtrans-62.9-43.7174.7-175.2178.8-179.5179.50111.7E531 T532 R537 M538 N539E531-K535 WeakPolarHBondContact O-CB 3.38Å; E531-K535 PolarHBondContact O-N 2.87Å; T532-K535 PolarHBondContact O-N 2.76Å; K535-R537 VanDerWaalsContact C-N 3.35Å; K535-R537 PolarHBondContact O-N 3.29Å; K535-M538 PolarHBondContact O-N 3.38Å; K535-N539 WeakPolarHBondContact O-CB 3.34Å; K535-N539 VanDerWaalsContact O-CG 3.25Å; K535-N539 PolarHBondContact O-N 2.71Å; K535-N539 PolarHBondContact O-OD1 2.95Å
536H94.5Very high90.4Very high86 Ų86109.3 Ų109.340%0.39855%0.547SS..Hα-helixtrans-60.5-42.7173.1-85.4-76.2000112.1T532 M533 M538 N539 G540 C541 F543T532-H536 PolarHBondContact O-CD2 3.05Å; T532-H536 VanDerWaalsContact O-CD2 3.24Å; T532-H536 PolarHBondContact O-N 3.32Å; M533-H536 PolarHBondContact O-N 3.46Å; H536-M538 VanDerWaalsContact C-N 3.35Å; H536-M538 PolarHBondContact O-N 3.37Å; H536-N539 CarbonylContact O-C 3.47Å; H536-N539 PolarHBondContact O-N 3.41Å; H536-N539 VanDerWaalsContact O-N 3.12Å; H536-G540 PolarHBondContact O-N 3.17Å; H536-C541 HydrophobicContact CB-CB 3.91Å; H536-C541 PolarHBondContact ND1-SG 3.12Å; H536-C541 VanDerWaalsContact O-CB 3.28Å; H536-C541 WeakPolarHBondContact O-CB 3.34Å; H536-C541 PolarHBondContact O-N 2.77Å; H536-F543 HydrophobicContact CB-CE2 4Å; H536-F543 HydrophobicContact CB-CZ 3.65Å
537R93.6Very high88.6Confident161 Ų161111.5 Ų111.561%0.60855%0.554SS**Hα-helixtrans-62.4-39.7175.6-164176.981.3-159.87.9112.3M533 Q534 K535 N539 G540M533-R537 WeakPolarHBondContact O-CB 3.49Å; M533-R537 PolarHBondContact O-N 3.41Å; Q534-R537 PolarHBondContact O-N 2.83Å; K535-R537 VanDerWaalsContact C-N 3.35Å; K535-R537 PolarHBondContact O-N 3.29Å; R537-N539 VanDerWaalsContact C-N 3.3Å; R537-G540 PolarHBondContact O-N 2.94Å
538M93.2Very high86.9Confident146 Ų146113.4 Ų113.472%0.71957%0.566SS**Hα-helixtrans-67.2-30.2173.9-72177.763.800112.9Q534 K535 H536 G540Q534-M538 WeakPolarHBondContact O-CG 3.45Å; Q534-M538 PolarHBondContact O-N 2.84Å; K535-M538 PolarHBondContact O-N 3.38Å; H536-M538 VanDerWaalsContact C-N 3.35Å; H536-M538 PolarHBondContact O-N 3.37Å; M538-G540 VanDerWaalsContact C-N 3.25Å; M538-G540 PolarHBondContact O-N 3.36Å
539N95.2Very high85.1Confident118 Ų118114.1 Ų114.163%0.63157%0.569SS**THydrogen-bonded Turntrans-83.67.9175.7-67.3-2.2000113.6K535 H536 R537K535-N539 WeakPolarHBondContact O-CB 3.34Å; K535-N539 VanDerWaalsContact O-CG 3.25Å; K535-N539 PolarHBondContact O-N 2.71Å; K535-N539 PolarHBondContact O-OD1 2.95Å; H536-N539 CarbonylContact O-C 3.47Å; H536-N539 PolarHBondContact O-N 3.41Å; H536-N539 VanDerWaalsContact O-N 3.12Å; R537-N539 VanDerWaalsContact C-N 3.3Å
540G91.1Very high83.2Confident61 Ų61112.7 Ų112.763%0.62957%0.567SS**THydrogen-bonded Turntrans84.510.3177.500000115.7H536 R537 M538 V542H536-G540 PolarHBondContact O-N 3.17Å; R537-G540 PolarHBondContact O-N 2.94Å; M538-G540 VanDerWaalsContact C-N 3.25Å; M538-G540 PolarHBondContact O-N 3.36Å; G540-V542 PolarHBondContact O-N 3.29Å
541C91.3Very high81.5Confident50 Ų50111 Ų11134%0.33857%0.567SS.*PPolyproline II helixtrans-70.9124171.1-56.30000110.3H536H536-C541 HydrophobicContact CB-CB 3.91Å; H536-C541 PolarHBondContact ND1-SG 3.12Å; H536-C541 VanDerWaalsContact O-CB 3.28Å; H536-C541 WeakPolarHBondContact O-CB 3.34Å; H536-C541 PolarHBondContact O-N 2.77Å
542V86.6Confident79.7Confident131 Ų131107.9 Ų107.979%0.79456%0.563SS**PPolyproline II helixtrans-91.1130170.1-72.50000110G540G540-V542 PolarHBondContact O-N 3.29Å
543F81.8Confident78Confident96 Ų96108.9 Ų108.942%0.42158%0.578SS.*PPolyproline II helixtrans-103.3126.7173.7-63.4-75.4000108.8M533 H536 D545M533-F543 HydrophobicContact CB-CE2 4.34Å; M533-F543 HydrophobicContact CB-CZ 4.44Å; M533-F543 HydrophobicContact CE-CD1 4.4Å; M533-F543 HydrophobicContact CE-CD2 4.22Å; M533-F543 HydrophobicContact CE-CE1 4.49Å; M533-F543 HydrophobicContact CE-CE2 4.31Å; M533-F543 HydrophobicContact CE-CG 4.27Å; M533-F543 HydrophobicContact CE-CZ 4.44Å; M533-F543 HydrophobicContact CG-CZ 4.35Å; H536-F543 HydrophobicContact CB-CE2 4Å; H536-F543 HydrophobicContact CB-CZ 3.65Å; F543-D545 PolarHBondContact O-N 2.93Å; F543-D545 VanDerWaalsContact O-N 3.15Å
544N78.3Confident76.5Confident123 Ų123112.8 Ų112.866%0.65859%0.593SS**  trans-78.997175.4-67-16.4000109.1E546 I547N544-E546 PolarHBondContact O-N 3.22Å; N544-I547 PolarHBondContact O-N 2.91Å
545D70Confident75Confident98 Ų98117 Ų11752%0.52461%0.612SS.*THydrogen-bonded Turntrans-58.8-6.8-178.4-75-18000114.8F543 R549F543-D545 PolarHBondContact O-N 2.93Å; F543-D545 VanDerWaalsContact O-N 3.15Å; D545-R549 VanDerWaalsContact CB-NH1 3.31Å; D545-R549 PolarHBondContact O-NH1 2.98Å; D545-R549 VanDerWaalsContact O-NH1 3.13Å
546E62.2Low73.2Confident160 Ų160118 Ų11875%0.74862%0.624SS**Hα-helixtrans-70.5-31.7178.1-61.2-165.1144.900112.9N544 V548 R549 S550N544-E546 PolarHBondContact O-N 3.22Å; E546-V548 PolarHBondContact O-N 2.85Å; E546-R549 PolarHBondContact O-N 3.39Å; E546-S550 PolarHBondContact O-N 2.88Å
547I61.5Low71.4Confident115 Ų115116.9 Ų116.959%0.5964%0.636SS**Hα-helixtrans-63.7-46.6-178.7-59.2177.7000110.2N544 R549 S550N544-I547 PolarHBondContact O-N 2.91Å; I547-R549 VanDerWaalsContact C-N 3.31Å; I547-R549 PolarHBondContact O-N 3.5Å; I547-S550 PolarHBondContact O-N 3.31Å; I547-S550 VanDerWaalsContact O-N 3.16Å; I547-S550 PolarHBondContact O-OG 2.91Å
548V61.7Low69.6Low111 Ų111117.1 Ų117.167%0.67365%0.648SS**Hα-helixtrans-66.1-30.6-176.7-177.60000112.7E546E546-V548 PolarHBondContact O-N 2.85Å
549R59.4Low67.6Low163 Ų163114 Ų11462%0.61565%0.653SS**Hα-helixtrans-78.1-24.4176.9-64.3-170.9-172.388.81.6113.1D545 E546 I547D545-R549 VanDerWaalsContact CB-NH1 3.31Å; D545-R549 PolarHBondContact O-NH1 2.98Å; D545-R549 VanDerWaalsContact O-NH1 3.13Å; E546-R549 PolarHBondContact O-N 3.39Å; I547-R549 VanDerWaalsContact C-N 3.31Å; I547-R549 PolarHBondContact O-N 3.5Å
550S58.4Low64.9Low74 Ų74118.5 Ų118.552%0.51769%0.692SS.*Hα-helixtrans-73.4-24.3-176.474.30000114.4E546 I547E546-S550 PolarHBondContact O-N 2.88Å; I547-S550 PolarHBondContact O-N 3.31Å; I547-S550 VanDerWaalsContact O-N 3.16Å; I547-S550 PolarHBondContact O-OG 2.91Å
551E59.6Low63.6Low147 Ų147121.4 Ų121.469%0.68770%0.695SS**Hα-helixtrans-88.2-39.2173.4-73-175.9127.200112.6A553 K554E551-A553 PolarHBondContact O-N 3.47Å; E551-A553 VanDerWaalsContact O-N 3.17Å; E551-K554 PolarHBondContact O-N 3.36Å; E551-K554 VanDerWaalsContact O-N 3.14Å
552A58.9Low62.1Low63 Ų63125.2 Ų125.252%0.52171%0.714SS.*Hα-helixtrans-58.8-31.6-179.100000113.4K554A552-K554 PolarHBondContact O-N 2.84Å
553A59Low60.7Low84 Ų84124.8 Ų124.869%0.69471%0.71SS**THydrogen-bonded Turntrans-75.91.6-179.400000115.3E551E551-A553 PolarHBondContact O-N 3.47Å; E551-A553 VanDerWaalsContact O-N 3.17Å
554K61.4Low59.5Low167 Ų167126.5 Ų126.573%0.72673%0.727SS**THydrogen-bonded Turntrans-105.3-19.1-178.8-84.3179.3176.3170.80115.6E551 A552E551-K554 PolarHBondContact O-N 3.36Å; E551-K554 VanDerWaalsContact O-N 3.14Å; A552-K554 PolarHBondContact O-N 2.84Å
555E61.2Low58.3Low163 Ų163126.8 Ų126.876%0.76273%0.731SS**THydrogen-bonded Turntrans-90.8-25.7-173.5-69.8-76.5115.100113.3G557E555-G557 PolarHBondContact O-N 2.86Å
556D58.6Low57.6Low161 Ų161128.7 Ų128.786%0.86175%0.745SS**THydrogen-bonded Turntrans-71.611.8-177.5-67.5-28.6000114.7
557G55.6Low57.2Low62 Ų62126.4 Ų126.464%0.63975%0.745SS**THydrogen-bonded Turntrans-113.9-8.9-169.900000117.2E555E555-G557 PolarHBondContact O-N 2.86Å
558L57.7Low56.9Low166 Ų166127.3 Ų127.387%0.86976%0.757SS**  trans-140.6103.2-177.1-76.5104.7000113.3
559G49.2Very low56.5Low80 Ų80128.7 Ų128.783%0.82576%0.764SS**  trans171.8106.7168.800000112.3
560C39Very low56.2Low214 Ų214125.5 Ų125.5100%1.44678%0.777SS**  trans-78.10179.2-59.50000113.7

Retrieved 560 of 560 residues in 139.9 ms (Link to these results)