A0A060Y5Y7_ONCMY Loading...

NK2 homeobox 2a

AlphaFold DB , UniProt , Accession A0A060Y5Y7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene nkx2.2a, Length 268 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
1M42.2Very low50.2Low241 Ų241143.5 Ų143.5100%1.18780%0.802SS**  0110.40-61.4-170.5177.500106.9
2S40.2Very low50.7Low119 Ų119140.6 Ų140.683%0.83279%0.79SS**  trans-139.6109.4178-54.40000108
3L47.7Very low51.3Low179 Ų179143.1 Ų143.194%0.93779%0.787SS**  trans-89.7109.5178.5-67.1168.4000108.3N5L3-N5 PolarHBondContact O-N 3.36Å
4T52.6Low52.4Low125 Ų125139.7 Ų139.777%0.76777%0.768SS**  trans-78111.4171.352.60000109.1T6T4-T6 PolarHBondContact O-N 2.91Å
5N42.7Very low53.5Low166 Ų166138.2 Ų138.289%0.88876%0.757SS**  trans-75.7106.1-179-151.2-23.6000109.6L3 K7L3-N5 PolarHBondContact O-N 3.36Å; N5-K7 PolarHBondContact O-N 3.18Å
6T48.1Very low53.6Low120 Ų120136.4 Ų136.474%0.73675%0.745SS**  trans-86.196.5177.754.10000110.6T4 T8T4-T6 PolarHBondContact O-N 2.91Å; T6-T8 PolarHBondContact O-N 3.35Å
7K51.7Low54.1Low201 Ų201138.2 Ų138.287%0.87475%0.754SS**  trans15.890.6146.4-165.6158.5-177.1166.10116.1N5N5-K7 PolarHBondContact O-N 3.18Å
8T60.7Low54.4Low142 Ų142138.4 Ų138.487%0.87175%0.753SS**  trans-86.6121.9149.960.40000107.3T6T6-T8 PolarHBondContact O-N 3.35Å
9G56.5Low54.5Low59 Ų59136.9 Ų136.961%0.60875%0.751SS**  trans-167.452.8-179.600000113.3
10F44.5Very low54.3Low176 Ų176137.6 Ų137.677%0.77275%0.754SS**  trans-93100.5153-154.6-94.3000104.7I15F10-I15 HydrophobicContact CE1-CD1 4.21Å; F10-I15 HydrophobicContact CE1-CG1 4.12Å
11S65.9Low54.1Low50 Ų50136.7 Ų136.735%0.3575%0.753SS.*  trans-90.7141.8-175.9-174.70000108.5K13 D14S11-K13 PolarHBondContact O-N 3.32Å; S11-D14 PolarHBondContact N-OD2 3.49Å; S11-D14 VanDerWaalsContact O-CB 3.3Å; S11-D14 WeakPolarHBondContact O-CB 3.4Å; S11-D14 VanDerWaalsContact O-CG 3.31Å; S11-D14 PolarHBondContact O-N 3.1Å; S11-D14 VanDerWaalsContact O-OD2 3.12Å
12V55.5Low54.2Low109 Ų109131.8 Ų131.866%0.66173%0.731SS**G310 helixtrans-57.6-20.3177.7176.70000112.2D14 I15V12-D14 PolarHBondContact O-N 3.46Å; V12-I15 PolarHBondContact O-N 3.22Å
13K58.3Low54.6Low173 Ų173132.9 Ų132.975%0.75273%0.728SS**G310 helixtrans-62.4-27.5172.4-55.9176.9-177.2-172.20112.8S11 I15 L16S11-K13 PolarHBondContact O-N 3.32Å; K13-I15 PolarHBondContact O-N 3.49Å; K13-L16 VanDerWaalsContact O-O 3.11Å
14D67.4Low54.9Low96 Ų96133.1 Ų133.151%0.51372%0.724SS.*G310 helixtrans-76.5-10.4178.9-50.1-38.5000112.6S11 V12S11-D14 PolarHBondContact N-OD2 3.49Å; S11-D14 VanDerWaalsContact O-CB 3.3Å; S11-D14 WeakPolarHBondContact O-CB 3.4Å; S11-D14 VanDerWaalsContact O-CG 3.31Å; S11-D14 PolarHBondContact O-N 3.1Å; S11-D14 VanDerWaalsContact O-OD2 3.12Å; V12-D14 PolarHBondContact O-N 3.46Å
15I68.6Low54.4Low117 Ų117136 Ų13660%0.673%0.729SS**THydrogen-bonded Turntrans-95.9-24.7-179.4-63.8172000111.6F10 V12 K13F10-I15 HydrophobicContact CE1-CD1 4.21Å; F10-I15 HydrophobicContact CE1-CG1 4.12Å; V12-I15 PolarHBondContact O-N 3.22Å; K13-I15 PolarHBondContact O-N 3.49Å
16L54.7Low54.3Low109 Ų109131.6 Ų131.657%0.57172%0.723SS**SBendtrans-107.997.4178.2-65.9171.4000106.7K13 L18K13-L16 VanDerWaalsContact O-O 3.11Å; L16-L18 HydrophobicContact CB-CD1 4.41Å; L16-L18 HydrophobicContact CB-CG 4.4Å; L16-L18 PolarHBondContact O-N 3.43Å
17D62.6Low54Low168 Ų168131.5 Ų131.590%0.89873%0.727SS**  trans-60.577.7169.7-90.6-21.1000109.5
18L59.7Low53.3Low141 Ų141129.5 Ų129.574%0.73872%0.724SS**  trans-89.3125.3168.1-71.8164.7000106.6L16 D20L16-L18 HydrophobicContact CB-CD1 4.41Å; L16-L18 HydrophobicContact CB-CG 4.4Å; L16-L18 PolarHBondContact O-N 3.43Å; L18-D20 PolarHBondContact O-N 3.28Å
19P55.4Low52.1Low111 Ų111128.9 Ų128.972%0.72172%0.72SS**  trans-62125172.725.3-31.6000109.1T21P19-T21 PolarHBondContact O-N 2.82Å
20D50.8Low51Low150 Ų150129.3 Ų129.380%0.80273%0.725SS**  trans-60.1104.9172.2-101.5-36.4000108.8L18 N22L18-D20 PolarHBondContact O-N 3.28Å; D20-N22 VanDerWaalsContact C-N 3.29Å; D20-N22 PolarHBondContact O-N 3.47Å; D20-N22 VanDerWaalsContact O-N 3.14Å
21T51.6Low51.4Low119 Ų119126.6 Ų126.673%0.7373%0.725SS**  trans-81.182165.456.30000107.9P19P19-T21 PolarHBondContact O-N 2.82Å
22N42.8Very low50.2Low137 Ų137132.8 Ų132.873%0.73375%0.749SS**  trans-107.978.2163.3-77.8-50.5000108D20D20-N22 VanDerWaalsContact C-N 3.29Å; D20-N22 PolarHBondContact O-N 3.47Å; D20-N22 VanDerWaalsContact O-N 3.14Å
23D49.5Very low49.5Very low143 Ų143136.4 Ų136.477%0.76576%0.758SS**  trans-93.4118.4158-61.2-60.6000106.8
24E53.2Low48.4Very low183 Ų183135.7 Ų135.786%0.85576%0.763SS**  trans-163.6127.6137.4-100.6-59.5100.600108.6
25E42.7Very low46.9Very low185 Ų185138.5 Ų138.586%0.86478%0.778SS**  trans-72.8176.7-176.3-61.6-155.914100113.1
26G40.2Very low45.2Very low74 Ų74141.9 Ų141.976%0.76379%0.791SS**  trans107.175.3133.500000116.1I28G26-I28 PolarHBondContact O-N 3Å
27S42Very low44Very low118 Ų118140 Ų14083%0.82580%0.798SS**  trans-54.7119.5148.4161.30000110.6
28I36.5Very low42.6Very low160 Ų160137.2 Ų137.282%0.82179%0.791SS**  trans-169.7145.2139-102.6151.3000112G26G26-I28 PolarHBondContact O-N 3Å
29T35.8Very low41.3Very low128 Ų128138.6 Ų138.679%0.78579%0.794SS**  trans-63.9154.1-172.950.90000115.3
30G33.3Very low40Very low69 Ų69138.9 Ų138.971%0.71179%0.794SS**  trans-67.2-160.8171.200000114.6
31P53.5Low39Very low119 Ų119136.7 Ų136.777%0.77379%0.786SS**  cis-142-175.813.443.1-23000116.2
32E39.9Very low38.2Very low180 Ų180139.4 Ų139.484%0.84179%0.788SS**  trans61.1129.4156.9-45.3-143.3137.700121.2
33E41.8Very low37.6Very low184 Ų184140.5 Ų140.586%0.8679%0.794SS**  162.5146117.9-83.8-178-173.100111.5
34D34.1Very low36.6Very low159 Ų159140.7 Ų140.785%0.8580%0.801SS**  trans-71169.6-172.3-42.6-68.2000112.8
35N35.5Very low35.6Very low155 Ų155135.1 Ų135.183%0.82979%0.792SS**  trans145.6140.7134.6-159.814.8000115.1
36E34.3Very low35Very low187 Ų187133 Ų13387%0.87479%0.791SS**  trans-51161.9-179.6-106.9168.797.400117.7
37G29.4Very low34.6Very low69 Ų69136 Ų13671%0.71179%0.789SS**  trans125.5103.2135.700000119.1
38S32.7Very low34.3Very low110 Ų110136.4 Ų136.477%0.76979%0.786SS**  trans27.9133.9135.7-55.40000124.3
39E31.6Very low34.3Very low171 Ų171137 Ų13780%0.79979%0.786SS**  trans53.5126.5137.1-60.2-175.4103.400121.1
40T28.5Very low34.2Very low116 Ų116135.9 Ų135.971%0.71278%0.783SS**  160120.7105.541.70000114.4
41T31.1Very low34.8Very low105 Ų105137.7 Ų137.764%0.64478%0.782SS**  88.8139125.572.30000123.8
42K33.8Very low34Very low175 Ų175139.3 Ų139.376%0.76178%0.784SS**  trans76120.6150.5-24-175.1-174163.50116.5
43N30.9Very low34Very low160 Ų160139 Ų13986%0.85678%0.782SS**  -151.9135.561.2-78.1-30.6000114.3
44T28.9Very low34.1Very low148 Ų148137.2 Ų137.291%0.90878%0.779SS**  trans-88149.6167.439.40000112
45G30.9Very low34.3Very low66 Ų66135.9 Ų135.968%0.6878%0.776SS**  trans141.288.5155.800000114.9
46V31.1Very low34.7Very low140 Ų140136.9 Ų136.985%0.84878%0.776SS**  78.8123.397.2172.60000111.2
47L31.1Very low35.4Very low136 Ų136135 Ų13571%0.71277%0.772SS**  -168136.950.9-173.869.4000109.9
48V35.5Very low35.7Very low127 Ų127138.3 Ų138.377%0.7777%0.772SS**  trans-75.7131.7163.2167.40000109.3
49Q36.6Very low36.6Very low173 Ų173138.4 Ų138.481%0.80877%0.77SS**  trans-156.2120.1150-105.5171.968.200110.2
50S34.3Very low37.3Very low104 Ų104137.1 Ų137.173%0.72777%0.768SS**  trans-111.3170.8157.3430000106.9
51P45Very low38.2Very low107 Ų107140.5 Ų140.570%0.69577%0.772SS**  cis-138.91809.840.4-20.4000115.3
52L36.9Very low38.9Very low153 Ų153141.4 Ų141.480%0.80177%0.773SS**  trans57.9110.5151.4-10898.3000119.6
53E40.8Very low39.9Very low173 Ų173139.2 Ų139.281%0.80878%0.777SS**  161.4152.7118.9-85.3179.3178.700110.1
54N43.6Very low40.7Very low147 Ų147141 Ų14179%0.78678%0.777SS**  trans80.379.7176.7-69.412.4000119.4
55V38.9Very low41.7Very low132 Ų132141.7 Ų141.780%0.877%0.765SS**  trans-141.484.8132.1-168.90000109.1
56Q43.2Very low42.6Very low176 Ų176145.3 Ų145.382%0.82277%0.768SS**  trans-79.2131.2159.6-95170.4-15.500109.1
57N48.4Very low44Very low147 Ų147141.5 Ų141.579%0.78675%0.748SS**  trans66.987154.7-60-25.3000118.1
58L36.3Very low45.2Very low139 Ų139139.1 Ų139.173%0.72874%0.743SS**  trans-121.3127.8148.2-84.2157.3000108.3I60L58-I60 PolarHBondContact O-N 3.38Å
59P50.5Low46.4Very low111 Ų111140.1 Ų140.172%0.72174%0.744SS**  trans-71.2103.6171.928.5-28.5000107.5K61P59-K61 VanDerWaalsContact C-N 3.27Å; P59-K61 PolarHBondContact O-N 3.01Å
60I46.2Very low48Very low145 Ų145134.7 Ų134.774%0.74472%0.72SS**  trans-64.494.3170.3-62.3170.9000106.7L58 N62L58-I60 PolarHBondContact O-N 3.38Å; I60-N62 PolarHBondContact O-N 3.13Å; I60-N62 VanDerWaalsContact O-N 3.12Å
61K48.8Very low49.9Very low187 Ų187134.6 Ų134.681%0.81372%0.717SS**  trans-65.8103.5164.5-69-179.5179.6-176.10106.5P59 P63P59-K61 VanDerWaalsContact C-N 3.27Å; P59-K61 PolarHBondContact O-N 3.01Å; K61-P63 WeakPolarHBondContact O-CD 3.32Å
62N45.1Very low50.4Low123 Ų123136.3 Ų136.366%0.65871%0.711SS**  trans-72.7109.1164-78.3-8.2000107.5I60 F64I60-N62 PolarHBondContact O-N 3.13Å; I60-N62 VanDerWaalsContact O-N 3.12Å; N62-F64 PolarHBondContact O-N 3.49Å
63P55.2Low52.2Low130 Ų130131.1 Ų131.184%0.84469%0.685SS**THydrogen-bonded Turntrans-77.314.8-176.934-33.8000112.6K61K61-P63 WeakPolarHBondContact O-CD 3.32Å
64F46.4Very low53.6Low197 Ų197131.5 Ų131.586%0.86468%0.679SS**THydrogen-bonded Turntrans-108.76-173.6-143.1-94000113.8N62N62-F64 PolarHBondContact O-N 3.49Å
65Y50.8Low55Low163 Ų163132 Ų13264%0.63967%0.67SS**  trans-134.353.4179.3-129.5-91.8000111.6S67Y65-S67 WeakPolarHBondContact CD1-OG 3.43Å; Y65-S67 VanDerWaalsContact CE1-OG 3.3Å; Y65-S67 WeakPolarHBondContact CE1-OG 3.32Å; Y65-S67 PolarHBondContact O-N 3.18Å
66D50.2Low56.6Low142 Ų142129.4 Ų129.476%0.75965%0.652SS**  trans-78.2111.3158.5-165.24.9000108.1S68D66-S68 PolarHBondContact O-N 3.5Å
67S59.3Low57.7Low60 Ų60124.2 Ų124.242%0.4264%0.639SS.*  trans-105.651.9-154.3-132.20000113.2Y65Y65-S67 WeakPolarHBondContact CD1-OG 3.43Å; Y65-S67 VanDerWaalsContact CE1-OG 3.3Å; Y65-S67 WeakPolarHBondContact CE1-OG 3.32Å; Y65-S67 PolarHBondContact O-N 3.18Å
68S57.5Low58.5Low86 Ų86121.6 Ų121.660%0.60163%0.628SS**SBendtrans-131.9-22.6168.352.90000115.3D66D66-S68 PolarHBondContact O-N 3.5Å
69D60.4Low59.5Low148 Ų148118.1 Ų118.179%0.79161%0.613SS**SBendtrans-109.83.1-176.7-70.9-47.2000114.7P71D69-P71 WeakPolarHBondContact O-CD 3.45Å
70N71.1Confident59.8Low58 Ų58118 Ų11831%0.3161%0.606SS.*  trans-69.9120.5176.8-175.6-7.4000110.2Y72 T73 R74N70-Y72 PolarHBondContact O-N 3.15Å; N70-Y72 VanDerWaalsContact OD1-CB 3.24Å; N70-Y72 WeakPolarHBondContact OD1-CB 3.28Å; N70-Y72 PolarHBondContact OD1-N 3.16Å; N70-T73 PolarHBondContact O-N 3.31Å; N70-R74 PolarHBondContact O-N 3.09Å; N70-R74 VanDerWaalsContact O-N 3.13Å
71P72.9Confident59.8Low103 Ų103115.6 Ų115.667%0.66960%0.602SS**Hα-helixtrans-56.4-26177.223.2-34.8000112.7D69 W75D69-P71 WeakPolarHBondContact O-CD 3.45Å; P71-W75 WeakPolarHBondContact O-CB 3.46Å; P71-W75 PolarHBondContact O-N 3.12Å
72Y56.6Low60.2Low143 Ų143112.9 Ų112.956%0.56160%0.595SS**Hα-helixtrans-70.2-43.3176.3-152.7-97.6000112.5N70 R74 W75 L76N70-Y72 PolarHBondContact O-N 3.15Å; N70-Y72 VanDerWaalsContact OD1-CB 3.24Å; N70-Y72 WeakPolarHBondContact OD1-CB 3.28Å; N70-Y72 PolarHBondContact OD1-N 3.16Å; Y72-R74 VanDerWaalsContact C-N 3.32Å; Y72-R74 PolarHBondContact O-N 3.34Å; Y72-W75 PolarHBondContact O-N 3.44Å; Y72-L76 HydrophobicContact CD1-CD1 3.71Å; Y72-L76 HydrophobicContact CD1-CG 4.22Å; Y72-L76 HydrophobicContact CE1-CD1 3.74Å; Y72-L76 HydrophobicContact CE1-CG 4.21Å; Y72-L76 WeakPolarHBondContact O-CG 3.47Å; Y72-L76 PolarHBondContact O-N 2.93Å
73T73.1Confident60.4Low43 Ų43114.2 Ų114.226%0.26460%0.598SS.*Hα-helixtrans-64.4-40.2175.5-47.30000110.6N70 W75 L76 A77N70-T73 PolarHBondContact O-N 3.31Å; T73-W75 VanDerWaalsContact C-N 3.33Å; T73-W75 PolarHBondContact O-N 2.96Å; T73-L76 PolarHBondContact O-N 3.4Å; T73-A77 WeakPolarHBondContact O-CB 3.23Å; T73-A77 PolarHBondContact O-N 3.38Å
74R71.1Confident60Low181 Ų181116.9 Ų116.968%0.68359%0.592SS**Hα-helixtrans-61.6-41174.4-135.8-178.786.6120.99112.1N70 Y72 T78N70-R74 PolarHBondContact O-N 3.09Å; N70-R74 VanDerWaalsContact O-N 3.13Å; Y72-R74 VanDerWaalsContact C-N 3.32Å; Y72-R74 PolarHBondContact O-N 3.34Å; R74-T78 PolarHBondContact O-N 3.04Å; R74-T78 PolarHBondContact O-OG1 2.9Å
75W74.2Confident60.1Low157 Ų157113.4 Ų113.460%0.59559%0.592SS**Hα-helixtrans-66.7-45.6177.2-172.783.5000112.1P71 Y72 T73 T78 T79P71-W75 WeakPolarHBondContact O-CB 3.46Å; P71-W75 PolarHBondContact O-N 3.12Å; Y72-W75 PolarHBondContact O-N 3.44Å; T73-W75 VanDerWaalsContact C-N 3.33Å; T73-W75 PolarHBondContact O-N 2.96Å; W75-T78 WeakPolarHBondContact O-CB 3.3Å; W75-T78 PolarHBondContact O-N 3.34Å; W75-T79 PolarHBondContact O-N 3.49Å
76L71.7Confident59.7Low79 Ų79113.1 Ų113.141%0.41460%0.601SS.*Hα-helixtrans-63.6-44.5177.5-70.5173.4000112.3Y72 T73 T78 T79 D80Y72-L76 HydrophobicContact CD1-CD1 3.71Å; Y72-L76 HydrophobicContact CD1-CG 4.22Å; Y72-L76 HydrophobicContact CE1-CD1 3.74Å; Y72-L76 HydrophobicContact CE1-CG 4.21Å; Y72-L76 WeakPolarHBondContact O-CG 3.47Å; Y72-L76 PolarHBondContact O-N 2.93Å; T73-L76 PolarHBondContact O-N 3.4Å; L76-T78 PolarHBondContact O-N 2.99Å; L76-T79 PolarHBondContact O-N 3.07Å; L76-T79 PolarHBondContact O-OG1 3.34Å; L76-D80 PolarHBondContact O-N 3.02Å
77A65.3Low59.3Low66 Ų66116.1 Ų116.155%0.54561%0.61SS.*Hα-helixtrans-60.7-32.117600000112.6T73 T79T73-A77 WeakPolarHBondContact O-CB 3.23Å; T73-A77 PolarHBondContact O-N 3.38Å; A77-T79 PolarHBondContact O-N 2.91Å
78T65.3Low58.1Low92 Ų92116.8 Ų116.856%0.56463%0.626SS**Hα-helixtrans-69.2-24.4176.7-45.90000112R74 W75 L76R74-T78 PolarHBondContact O-N 3.04Å; R74-T78 PolarHBondContact O-OG1 2.9Å; W75-T78 WeakPolarHBondContact O-CB 3.3Å; W75-T78 PolarHBondContact O-N 3.34Å; L76-T78 PolarHBondContact O-N 2.99Å
79T58.7Low57.1Low66 Ų66121.3 Ų121.341%0.40564%0.642SS.*Hα-helixtrans-85.9-26.3179.560.30000113.8W75 L76 A77 S81 I82W75-T79 PolarHBondContact O-N 3.49Å; L76-T79 PolarHBondContact O-N 3.07Å; L76-T79 PolarHBondContact O-OG1 3.34Å; A77-T79 PolarHBondContact O-N 2.91Å; T79-S81 VanDerWaalsContact C-N 3.3Å; T79-S81 PolarHBondContact O-N 2.97Å; T79-I82 PolarHBondContact O-N 2.9Å
80D55.4Low55.8Low108 Ų108120 Ų12058%0.57865%0.645SS**Hα-helixtrans-68.6-29.9178.4-141-88.8000112.1L76 I82L76-D80 PolarHBondContact O-N 3.02Å; D80-I82 VanDerWaalsContact C-N 3.26Å; D80-I82 PolarHBondContact O-N 3.39Å
81S47.9Very low54.1Low96 Ų96121.7 Ų121.767%0.67167%0.667SS**G310 helixtrans-72.7-11.3176.6-172.60000114.4T79 Q83T79-S81 VanDerWaalsContact C-N 3.3Å; T79-S81 PolarHBondContact O-N 2.97Å; S81-Q83 VanDerWaalsContact C-N 3.32Å; S81-Q83 PolarHBondContact O-N 3.33Å
82I55.8Low52.3Low130 Ų130122.3 Ų122.367%0.66767%0.674SS**G310 helixtrans-79.1-13.6-177.4-58.3-74.6000112.2T79 D80T79-I82 PolarHBondContact O-N 2.9Å; D80-I82 VanDerWaalsContact C-N 3.26Å; D80-I82 PolarHBondContact O-N 3.39Å
83Q49.2Very low51.5Low151 Ų151121 Ų12171%0.70669%0.686SS**G310 helixtrans-89.83.8-172.5-71.7-67.7-6100116.2S81S81-Q83 VanDerWaalsContact C-N 3.32Å; S81-Q83 PolarHBondContact O-N 3.33Å
84Y47.8Very low49.9Very low186 Ų186128.1 Ų128.173%0.72972%0.716SS**SBendtrans-135.439.1-175.3-43.9-76.9000116
85S47.6Very low48.3Very low123 Ų123126.9 Ų126.986%0.8672%0.723SS**  trans-125.569.6165.2-92.60000111
86L42.3Very low46.6Very low158 Ų158125.3 Ų125.383%0.82774%0.736SS**  trans-137.969.1166.5-171.270.5000109.3
87H41.8Very low45.5Very low205 Ų205126.4 Ų126.495%0.94976%0.756SS**  trans-159.3124.8155.8-88.9-69.7000109
88G33.9Very low44.1Very low73 Ų73132.9 Ų132.975%0.75377%0.772SS**  trans12656.2158.600000117.8
89L37.2Very low42.7Very low181 Ų181133.3 Ų133.395%0.94878%0.779SS**  trans-119.389.9149.3-68.8177.8000107.5
90S34Very low42.5Very low120 Ų120135.3 Ų135.384%0.83979%0.793SS**  trans-75.4118.3167.4-177.60000107.9S92S90-S92 PolarHBondContact O-N 2.9Å
91A35.3Very low41.5Very low94 Ų94139 Ų13978%0.77781%0.806SS**  trans-76.2112.7176.300000109.7
92S34.5Very low41.6Very low116 Ų116139.6 Ų139.681%0.81181%0.808SS**  trans-92.2108160.958.70000108.6S90S90-S92 PolarHBondContact O-N 2.9Å
93S38.9Very low40.8Very low116 Ų116139.2 Ų139.281%0.81182%0.817SS**  trans-65.9123.2164.4-64.10000110
94Q40.8Very low40.8Very low193 Ų193136.6 Ų136.690%0.90282%0.821SS**  trans-133.1116.8149.5-78.6-151.3-28.700109.7
95D37.3Very low41Very low155 Ų155135.4 Ų135.483%0.82983%0.828SS**  trans-55.4135.6160.4-105.8-43.7000110.8
96S38.9Very low41.3Very low124 Ų124137.7 Ų137.787%0.86783%0.825SS**  trans-177.5115134.1-84.20000110.8
97A48.1Very low41.6Very low101 Ų101135.6 Ų135.684%0.83582%0.823SS**  trans-74.7127.8172.700000111.7
98K35.5Very low42.4Very low202 Ų202130.7 Ų130.788%0.87881%0.81SS**  trans-166.7117.8143.4-159.373.8-175.5-177.70111.6
99S36.7Very low43.1Very low102 Ų102134.2 Ų134.271%0.71381%0.811SS**  trans-115.4168.7147.1-145.60000105.8
100P52.7Low43.8Very low108 Ų108132.7 Ų132.770%0.70180%0.804SS**  cis-137.2169.8640-21.7000114.8
101E35.4Very low44.7Very low184 Ų184134.1 Ų134.186%0.8680%0.802SS**  -176.4152.4124.4-108.6-149.2108.900113.4
102P49.3Very low45.7Very low110 Ų110139 Ų13971%0.71481%0.806SS**  trans-97.2141-178.337.1-27.3000111.8
103S40.4Very low46.3Very low121 Ų121141.8 Ų141.885%0.84681%0.806SS**  trans-138.4126.3158.8-166.50000110.2
104A48.8Very low46.5Very low96 Ų96142.1 Ų142.179%0.79380%0.803SS**  trans-64.1140.916200000109.5
105D52.7Low46.6Very low162 Ų162137.4 Ų137.487%0.86679%0.792SS**  trans-152.6131.1148-169.153000108.3
106E51.9Low47Very low171 Ų171135.2 Ų135.280%0.79979%0.789SS**  trans-106.5125.3-174.7-163.4-154.2140.200107.7
107S48.9Very low47.3Very low113 Ų113137.7 Ų137.779%0.7979%0.792SS**  trans-165.4129.8150.3-158.50000112.1
108P59.1Low46.9Very low103 Ų103135.8 Ų135.867%0.66978%0.782SS**  trans-103.7123.6174.534.9-23.8000111.1
109D48.4Very low47.3Very low147 Ų147131.1 Ų131.179%0.78678%0.775SS**  trans-175121.6148.5-148.1-104.9000111
110N52.9Low48Very low149 Ų149134.2 Ų134.280%0.79778%0.783SS**  trans-174.2106.1138.3-129.8-39.4000111.2
111D51.2Low48.1Very low149 Ų149133 Ų13380%0.79778%0.777SS**  trans-72.5122.4157.6-75.2-65.1000110
112K56.3Low49.2Very low197 Ų197127.2 Ų127.286%0.85777%0.768SS**  trans-155.3117.2150.6-156158.3179.61740113.3
113E47.7Very low49.9Very low174 Ų174131.2 Ų131.281%0.81377%0.774SS**  trans-62.7165.3168.8-70.3-139.9119.300114.2
114T44.3Very low51.4Low123 Ų123134.3 Ų134.376%0.75577%0.772SS**  trans88.1133.2140.4-171.60000121.3
115S41.9Very low53.1Low94 Ų94139.5 Ų139.566%0.65777%0.771SS**  trans100.290.9150.2-63.10000119
116S45.8Very low54.6Low110 Ų110141.1 Ų141.177%0.76977%0.77SS**  34.2124.411761.10000120.5
117N44.6Very low56.5Low176 Ų176143.7 Ų143.794%0.94177%0.773SS**  116.1132.4129.8-151.941.6000116.1
118G40.5Very low58.5Low60 Ų60148.1 Ų148.162%0.61977%0.772SS**  trans121.286.1157.800000116.6
119S43.4Very low60.2Low104 Ų104149.5 Ų149.573%0.72778%0.778SS**  162108.711850.90000111.2S121S119-S121 PolarHBondContact O-N 3.45Å
120D52.8Low62.4Low167 Ų167150 Ų15089%0.89378%0.78SS**  trans-51.8105.6158.9-178.941000108.8
121S54.2Low64.6Low82 Ų82146.2 Ų146.257%0.57376%0.757SS**  trans-125.6121.9171.451.40000107.4S119 K123S119-S121 PolarHBondContact O-N 3.45Å; S121-K123 PolarHBondContact O-N 3.34Å
122G57.6Low66.8Low64 Ų64141.9 Ų141.966%0.6674%0.738SS**  trans-33.9129.1-169.600000113.9K124G122-K124 VanDerWaalsContact C-N 3.28Å; G122-K124 PolarHBondContact O-N 3.41Å
123K64.1Low68.8Low194 Ų194140.8 Ų140.884%0.84373%0.733SS**  trans-43.881.1-173.9-67.2157.3-179.3168.90112.8S121 R125S121-K123 PolarHBondContact O-N 3.34Å; K123-R125 PolarHBondContact O-N 3.04Å
124K73.4Confident71.2Confident185 Ų185135.8 Ų135.880%0.80472%0.722SS**PPolyproline II helixtrans-61.2120.4173.2-79.1169.6179.2169.10107.5G122 K126G122-K124 VanDerWaalsContact C-N 3.28Å; G122-K124 PolarHBondContact O-N 3.41Å; K124-K126 PolarHBondContact O-N 3.33Å
125R82.9Confident73.8Confident205 Ų205131.7 Ų131.777%0.77469%0.694SS**PPolyproline II helixtrans-51.4124.8177.6176.5173.4153.9169.6-9.7109.5K123 R127K123-R125 PolarHBondContact O-N 3.04Å; R125-R127 PolarHBondContact O-N 3.35Å
126K84.9Confident76.5Confident196 Ų196128.8 Ų128.885%0.85267%0.672SS**PPolyproline II helixtrans-54.2124.3178.9-127.397171.2-177.80109.1K124 R128K124-K126 PolarHBondContact O-N 3.33Å; K126-R128 PolarHBondContact O-N 3.03Å
127R90.8Very high79Confident226 Ų226129.4 Ų129.485%0.85366%0.659SS**PPolyproline II helixtrans-58.7135.4174.5-170.4170.669.8-1582.1108.8R125R125-R127 PolarHBondContact O-N 3.35Å
128R92.5Very high81.6Confident206 Ų206123.7 Ų123.778%0.77763%0.627SS**PPolyproline II helixtrans-67.5134175.7-68.9-177.8179.2170.6-0.4109.1K126K126-R128 PolarHBondContact O-N 3.03Å
129V93.4Very high84.3Confident131 Ų131120.9 Ų120.979%0.79460%0.597SS**PPolyproline II helixtrans-103.6133174.3-1790000108.2
130L96Very high87Confident158 Ų158119.4 Ų119.483%0.82758%0.579SS**PPolyproline II helixtrans-96150.6175.3-63.8172.2000109.7
131F98Very high89.1Confident69 Ų69116.2 Ų116.230%0.30355%0.554SS.*PPolyproline II helixtrans-74.4148.8171.8-58.7-41.9000110.7Q135 L139 L163 Q167 W171F131-Q135 HydrophobicContact CB-CB 4.2Å; F131-L139 HydrophobicContact CD2-CD1 4.35Å; F131-L163 HydrophobicContact CD1-CD1 3.97Å; F131-L163 HydrophobicContact CD1-CD2 3.8Å; F131-L163 HydrophobicContact CE1-CD1 3.92Å; F131-L163 HydrophobicContact CE1-CD2 3.73Å; F131-L163 HydrophobicContact CG-CD1 4.37Å; F131-L163 HydrophobicContact CZ-CD1 4.25Å; F131-Q167 HydrophobicContact CE1-CB 4.41Å; F131-Q167 HydrophobicContact CE1-CG 4.43Å; F131-Q167 HydrophobicContact CZ-CB 4.06Å; F131-Q167 HydrophobicContact CZ-CG 4.32Å; F131-W171 AromaticContact CD2-CD1 3.75Å; F131-W171 HydrophobicContact CE2-CB 4.28Å; F131-W171 AromaticContact CE2-CD1 3.66Å; F131-W171 HydrophobicContact CE2-CG 4.32Å
132S98.4Very high91.2Very high58 Ų58116 Ų11641%0.40654%0.541SS..PPolyproline II helixtrans-67.1164.6175810000111.3A134 Q135 T136S132-A134 VanDerWaalsContact C-N 3.33Å; S132-A134 PolarHBondContact O-N 3.13Å; S132-Q135 PolarHBondContact O-N 3.18Å; S132-Q135 VanDerWaalsContact OG-CG 3.32Å; S132-Q135 WeakPolarHBondContact OG-CG 3.48Å; S132-Q135 PolarHBondContact OG-N 3.36Å; S132-T136 PolarHBondContact O-N 3.45Å; S132-T136 PolarHBondContact O-OG1 3.29Å
133K98.2Very high93.2Very high174 Ų174113.3 Ų113.376%0.75751%0.511SS*.Hα-helixtrans-62.2-41.6177.3-171.662.9173.5176.80111.8T136 Y137K133-T136 PolarHBondContact O-N 3.47Å; K133-Y137 WeakPolarHBondContact O-CB 3.47Å; K133-Y137 PolarHBondContact O-N 3Å
134A98.1Very high94.8Very high70 Ų70112.8 Ų112.858%0.57950%0.504SS*.Hα-helixtrans-63.5-43.117700000112.1S132 T136 Y137 E138S132-A134 VanDerWaalsContact C-N 3.33Å; S132-A134 PolarHBondContact O-N 3.13Å; A134-T136 PolarHBondContact O-N 3.25Å; A134-Y137 PolarHBondContact O-N 3.15Å; A134-E138 PolarHBondContact O-N 3.43Å; A134-E138 VanDerWaalsContact O-N 3.1Å
135Q98.6Very high96Very high37 Ų37109.6 Ų109.617%0.17349%0.492CS..Hα-helixtrans-61-46.6175.4-73.7173.5-3000111.4F131 S132 Y137 E138 L139 I161F131-Q135 HydrophobicContact CB-CB 4.2Å; S132-Q135 PolarHBondContact O-N 3.18Å; S132-Q135 VanDerWaalsContact OG-CG 3.32Å; S132-Q135 WeakPolarHBondContact OG-CG 3.48Å; S132-Q135 PolarHBondContact OG-N 3.36Å; Q135-Y137 VanDerWaalsContact C-N 3.31Å; Q135-Y137 PolarHBondContact O-N 3.09Å; Q135-E138 PolarHBondContact O-N 3.41Å; Q135-L139 WeakPolarHBondContact O-CB 3.48Å; Q135-L139 WeakPolarHBondContact O-CD1 3.49Å; Q135-L139 VanDerWaalsContact O-CG 3.23Å; Q135-L139 WeakPolarHBondContact O-CG 3.28Å; Q135-L139 PolarHBondContact O-N 3.49Å; Q135-L139 VanDerWaalsContact O-N 3.07Å; Q135-I161 HydrophobicContact CG-CB 4.38Å; Q135-I161 PolarHBondContact NE2-O 3.46Å
136T98.4Very high96.7Very high32 Ų32103 Ų10320%0.19647%0.47CS..Hα-helixtrans-63-39.9178.7-54.70000111.6S132 K133 A134 L139 E140S132-T136 PolarHBondContact O-N 3.45Å; S132-T136 PolarHBondContact O-OG1 3.29Å; K133-T136 PolarHBondContact O-N 3.47Å; A134-T136 PolarHBondContact O-N 3.25Å; T136-L139 PolarHBondContact O-N 3.32Å; T136-E140 HydrophobicContact CG2-CG 4.39Å; T136-E140 WeakPolarHBondContact O-CB 3.5Å; T136-E140 VanDerWaalsContact O-CG 3.28Å; T136-E140 WeakPolarHBondContact O-CG 3.08Å; T136-E140 PolarHBondContact O-N 3.12Å
137Y98.4Very high97.3Very high124 Ų124100 Ų10049%0.48645%0.453SS..Hα-helixtrans-60.9-48.7177.2171.8-97.9000112.7K133 A134 Q135 L139 E140 R141K133-Y137 WeakPolarHBondContact O-CB 3.47Å; K133-Y137 PolarHBondContact O-N 3Å; A134-Y137 PolarHBondContact O-N 3.15Å; Q135-Y137 VanDerWaalsContact C-N 3.31Å; Q135-Y137 PolarHBondContact O-N 3.09Å; Y137-L139 VanDerWaalsContact C-N 3.34Å; Y137-L139 PolarHBondContact O-N 2.9Å; Y137-E140 PolarHBondContact O-N 3.37Å; Y137-R141 WeakPolarHBondContact O-CB 3.24Å; Y137-R141 PolarHBondContact O-N 2.89Å
138E98.6Very high97.6Very high56 Ų5696.6 Ų96.626%0.26244%0.441SS..Hα-helixtrans-66.2-37178.6-76.3-57.4145.200112.1A134 Q135 R141 R142 I161A134-E138 PolarHBondContact O-N 3.43Å; A134-E138 VanDerWaalsContact O-N 3.1Å; Q135-E138 PolarHBondContact O-N 3.41Å; E138-R141 PolarHBondContact O-N 2.81Å; E138-R141 IonicContact OE1-NH1 3.49Å; E138-R141 PolarHBondContact OE1-NH1 3.21Å; E138-R141 IonicContact OE2-NH1 3.22Å; E138-R141 PolarHBondContact OE2-NH1 3.41Å; E138-R142 WeakPolarHBondContact O-CB 3.36Å; E138-R142 WeakPolarHBondContact O-CG 3.4Å; E138-R142 PolarHBondContact O-N 2.93Å; E138-I161 HydrophobicContact CB-CG2 3.64Å; E138-I161 HydrophobicContact CG-CG2 4.12Å
139L98.7Very high97.9Very high0 Ų088.1 Ų88.10%041%0.411CS..Hα-helixtrans-59.9-46.7172.8-72.7164.7000111.5F131 Q135 T136 Y137 R142 F143 L157 I161 L163 V168 W171 F172F131-L139 HydrophobicContact CD2-CD1 4.35Å; Q135-L139 WeakPolarHBondContact O-CB 3.48Å; Q135-L139 WeakPolarHBondContact O-CD1 3.49Å; Q135-L139 VanDerWaalsContact O-CG 3.23Å; Q135-L139 WeakPolarHBondContact O-CG 3.28Å; Q135-L139 PolarHBondContact O-N 3.49Å; Q135-L139 VanDerWaalsContact O-N 3.07Å; T136-L139 PolarHBondContact O-N 3.32Å; Y137-L139 VanDerWaalsContact C-N 3.34Å; Y137-L139 PolarHBondContact O-N 2.9Å; L139-R142 PolarHBondContact O-N 3.06Å; L139-F143 VanDerWaalsContact O-CB 3.3Å; L139-F143 WeakPolarHBondContact O-CB 3.45Å; L139-F143 PolarHBondContact O-N 3.19Å; L139-L157 HydrophobicContact CD2-CD2 4.17Å; L139-I161 HydrophobicContact CD1-CD1 4.23Å; L139-I161 HydrophobicContact CD2-CD1 3.64Å; L139-I161 HydrophobicContact CG-CD1 3.7Å; L139-L163 HydrophobicContact CD1-CD1 4.18Å; L139-V168 HydrophobicContact CD2-CG1 4.31Å; L139-V168 HydrophobicContact CD2-CG2 4.45Å; L139-W171 HydrophobicContact CB-CD2 3.88Å; L139-W171 HydrophobicContact CB-CE3 3.86Å; L139-W171 HydrophobicContact CB-CH2 3.67Å; L139-W171 HydrophobicContact CB-CZ2 3.67Å; L139-W171 HydrophobicContact CB-CZ3 3.77Å; L139-W171 HydrophobicContact CD1-CB 4.48Å; L139-W171 HydrophobicContact CD1-CD2 3.85Å; L139-W171 HydrophobicContact CD1-CG 3.8Å; L139-W171 HydrophobicContact CD2-CD2 4.19Å; L139-W171 HydrophobicContact CD2-CE3 4.1Å; L139-W171 HydrophobicContact CD2-CG 4.45Å; L139-W171 HydrophobicContact CG-CD2 4.2Å; L139-W171 HydrophobicContact CG-CE3 4.38Å; L139-F172 HydrophobicContact CD2-CD2 4.45Å; L139-F172 HydrophobicContact CD2-CE2 3.96Å
140E98.4Very high98.1Very high74 Ų7484.4 Ų84.435%0.34639%0.391SS..Hα-helixtrans-66.6-39.8177.1-72.4175.2173.900112.4T136 Y137 F143 R144 W171T136-E140 HydrophobicContact CG2-CG 4.39Å; T136-E140 WeakPolarHBondContact O-CB 3.5Å; T136-E140 VanDerWaalsContact O-CG 3.28Å; T136-E140 WeakPolarHBondContact O-CG 3.08Å; T136-E140 PolarHBondContact O-N 3.12Å; Y137-E140 PolarHBondContact O-N 3.37Å; E140-F143 PolarHBondContact O-N 2.96Å; E140-R144 WeakPolarHBondContact O-CG 3.25Å; E140-R144 PolarHBondContact O-N 3.08Å; E140-W171 HydrophobicContact CB-CH2 4.48Å; E140-W171 HydrophobicContact CG-CH2 3.8Å; E140-W171 HydrophobicContact CG-CZ2 3.79Å
141R98.5Very high98.2Very high99 Ų9979.3 Ų79.337%0.37437%0.372SS..Hα-helixtrans-60.5-48.2175.5-179-176.3175.3-146.92.9111.2Y137 E138Y137-R141 WeakPolarHBondContact O-CB 3.24Å; Y137-R141 PolarHBondContact O-N 2.89Å; E138-R141 PolarHBondContact O-N 2.81Å; E138-R141 IonicContact OE1-NH1 3.49Å; E138-R141 PolarHBondContact OE1-NH1 3.21Å; E138-R141 IonicContact OE2-NH1 3.22Å; E138-R141 PolarHBondContact OE2-NH1 3.41Å
142R98.3Very high98.3Very high77 Ų7780.3 Ų80.329%0.29139%0.385SS..Hα-helixtrans-63.2-43.5174.6-77.2-67.798.4-157.28.6111.9E138 L139 R144 Q145 Q146 L157 F172E138-R142 WeakPolarHBondContact O-CB 3.36Å; E138-R142 WeakPolarHBondContact O-CG 3.4Å; E138-R142 PolarHBondContact O-N 2.93Å; L139-R142 PolarHBondContact O-N 3.06Å; R142-R144 VanDerWaalsContact C-N 3.3Å; R142-R144 PolarHBondContact O-N 2.88Å; R142-Q145 VanDerWaalsContact CZ-CD 3.49Å; R142-Q145 WeakPolarHBondContact O-CB 3.37Å; R142-Q145 PolarHBondContact O-N 3.03Å; R142-Q146 PolarHBondContact O-N 2.65Å; R142-L157 HydrophobicContact CB-CD2 4.07Å; R142-L157 HydrophobicContact CG-CD1 3.74Å; R142-L157 HydrophobicContact CG-CD2 3.87Å; R142-L157 HydrophobicContact CG-CG 4.42Å; R142-F172 HydrophobicContact CB-CZ 4.25Å
143F98.4Very high98.2Very high9 Ų981 Ų814%0.03938%0.382CS..Hα-helixtrans-60.2-38.3-178.8-173.4-92.6000113.3L139 E140 Q145 Q146 R147 W171 F172 H175 R176 M179L139-F143 VanDerWaalsContact O-CB 3.3Å; L139-F143 WeakPolarHBondContact O-CB 3.45Å; L139-F143 PolarHBondContact O-N 3.19Å; E140-F143 PolarHBondContact O-N 2.96Å; F143-Q145 PolarHBondContact O-N 3.35Å; F143-Q146 CarbonylContact O-C 3.39Å; F143-Q146 PolarHBondContact O-N 2.72Å; F143-R147 HydrophobicContact CE1-CG 3.97Å; F143-R147 HydrophobicContact CE2-CB 4.05Å; F143-R147 HydrophobicContact CE2-CG 4.18Å; F143-R147 HydrophobicContact CZ-CB 4.03Å; F143-R147 HydrophobicContact CZ-CG 3.73Å; F143-W171 HydrophobicContact CB-CH2 4.34Å; F143-W171 HydrophobicContact CB-CZ3 4.06Å; F143-W171 HydrophobicContact CD2-CZ3 4.35Å; F143-W171 HydrophobicContact CG-CZ3 4.39Å; F143-F172 HydrophobicContact CB-CE1 4.29Å; F143-F172 HydrophobicContact CB-CZ 4.4Å; F143-F172 AromaticContact CD2-CD1 3.77Å; F143-F172 HydrophobicContact CD2-CD1 3.77Å; F143-F172 AromaticContact CD2-CE1 3.76Å; F143-F172 HydrophobicContact CD2-CE1 3.76Å; F143-F172 HydrophobicContact CE2-CD1 4.33Å; F143-H175 AromaticContact CD1-CD2 3.35Å; F143-H175 WeakPolarHBondContact CD1-CD2 3.49Å; F143-H175 AromaticContact CD1-NE2 3.33Å; F143-H175 VanDerWaalsContact CD1-NE2 3.33Å; F143-H175 WeakPolarHBondContact CD1-NE2 3.47Å; F143-H175 HydrophobicContact CD2-CB 4.48Å; F143-H175 AromaticContact CD2-CD2 3.84Å; F143-H175 AromaticContact CE1-CD2 3.15Å; F143-H175 WeakPolarHBondContact CE1-CD2 3.47Å; F143-H175 AromaticContact CE1-NE2 3.4Å; F143-H175 WeakPolarHBondContact CE1-NE2 3.4Å; F143-H175 HydrophobicContact CE2-CB 4.37Å; F143-H175 AromaticContact CE2-CD2 3.67Å; F143-H175 AromaticContact CG-CD2 3.7Å; F143-H175 AromaticContact CG-NE2 3.96Å; F143-H175 AromaticContact CZ-CD2 3.33Å; F143-H175 WeakPolarHBondContact CZ-CD2 3.36Å; F143-R176 HydrophobicContact CE2-CG 3.76Å; F143-R176 HydrophobicContact CZ-CG 4Å; F143-M179 HydrophobicContact CE1-SD 4.16Å
144R97.9Very high98.3Very high182 Ų18275.5 Ų75.569%0.68736%0.356SS*.Hα-helixtrans-60.7-32.4175.2-77.9-173.2-72.4154.3-6.2112.6E140 R142E140-R144 WeakPolarHBondContact O-CG 3.25Å; E140-R144 PolarHBondContact O-N 3.08Å; R142-R144 VanDerWaalsContact C-N 3.3Å; R142-R144 PolarHBondContact O-N 2.88Å
145Q97.9Very high98.3Very high118 Ų11877.7 Ų77.755%0.55136%0.355SS*.Hα-helixtrans-83.5-40.3179.2-60-177.825.800111.2R142 F143R142-Q145 VanDerWaalsContact CZ-CD 3.49Å; R142-Q145 WeakPolarHBondContact O-CB 3.37Å; R142-Q145 PolarHBondContact O-N 3.03Å; F143-Q145 PolarHBondContact O-N 3.35Å
146Q97.9Very high98.3Very high67 Ų6781.9 Ų81.931%0.31337%0.374SS..  trans-147.6115.3-175.1-174.6172-27.400110.6R142 F143 Y148 L149 E153 F172R142-Q146 PolarHBondContact O-N 2.65Å; F143-Q146 CarbonylContact O-C 3.39Å; F143-Q146 PolarHBondContact O-N 2.72Å; Q146-Y148 VanDerWaalsContact C-N 3.29Å; Q146-Y148 WeakPolarHBondContact CG-O 3.21Å; Q146-Y148 PolarHBondContact NE2-O 3.37Å; Q146-Y148 PolarHBondContact O-N 3.43Å; Q146-L149 HydrophobicContact CB-CD2 4.32Å; Q146-L149 HydrophobicContact CG-CD2 4.13Å; Q146-E153 VanDerWaalsContact NE2-CD 3.26Å; Q146-E153 PolarHBondContact NE2-OE1 3.46Å; Q146-E153 PolarHBondContact NE2-OE2 3.2Å; Q146-E153 PolarHBondContact OE1-OE1 3.45Å; Q146-F172 WeakPolarHBondContact O-CE1 3.4Å
147R97.5Very high98.3Very high133 Ų13380.6 Ų80.650%0.50237%0.366SS..SBendtrans-76-16-176.3-68.4-176162.496.4-1.6113.9F143 R176F143-R147 HydrophobicContact CE1-CG 3.97Å; F143-R147 HydrophobicContact CE2-CB 4.05Å; F143-R147 HydrophobicContact CE2-CG 4.18Å; F143-R147 HydrophobicContact CZ-CB 4.03Å; F143-R147 HydrophobicContact CZ-CG 3.73Å; R147-R176 WeakPolarHBondContact O-CD 3.33Å
148Y98.2Very high98.3Very high154 Ų15474.9 Ų74.960%0.60434%0.344SS*.SBendtrans-137.5118.8-176.4-61.5-102.5000109.2Q146Q146-Y148 VanDerWaalsContact C-N 3.29Å; Q146-Y148 WeakPolarHBondContact CG-O 3.21Å; Q146-Y148 PolarHBondContact NE2-O 3.37Å; Q146-Y148 PolarHBondContact O-N 3.43Å
149L98.1Very high98.3Very high29 Ų2976.7 Ų76.715%0.15236%0.363CS..  trans-99.2137.3177.7-61.9179.6000110.8Q146 E153 R154 L157 V168 F172Q146-L149 HydrophobicContact CB-CD2 4.32Å; Q146-L149 HydrophobicContact CG-CD2 4.13Å; L149-E153 HydrophobicContact CB-CB 4.27Å; L149-E153 HydrophobicContact CD2-CB 4.21Å; L149-R154 HydrophobicContact CB-CG 3.5Å; L149-R154 HydrophobicContact CD1-CG 3.97Å; L149-R154 HydrophobicContact CG-CG 4.4Å; L149-L157 HydrophobicContact CD1-CD2 3.79Å; L149-V168 HydrophobicContact CD1-CG1 4.16Å; L149-F172 HydrophobicContact CD1-CD1 4.31Å; L149-F172 HydrophobicContact CD1-CD2 4.21Å; L149-F172 HydrophobicContact CD1-CE1 3.72Å; L149-F172 HydrophobicContact CD1-CE2 3.61Å; L149-F172 HydrophobicContact CD1-CZ 3.33Å; L149-F172 HydrophobicContact CD2-CE1 4.31Å; L149-F172 HydrophobicContact CD2-CZ 4.44Å; L149-F172 HydrophobicContact CG-CD1 4.11Å; L149-F172 HydrophobicContact CG-CE1 3.59Å; L149-F172 HydrophobicContact CG-CE2 4.4Å; L149-F172 HydrophobicContact CG-CZ 3.77Å
150S98.3Very high98.3Very high53 Ų5382.3 Ų82.337%0.37139%0.392SS..  trans-66.9172.3166.268.30000111.3E153 R154S150-E153 VanDerWaalsContact CB-OE2 3.26Å; S150-E153 WeakPolarHBondContact CB-OE2 3.35Å; S150-E153 PolarHBondContact N-OE2 3.36Å; S150-E153 VanDerWaalsContact OG-CG 3.24Å; S150-E153 WeakPolarHBondContact OG-CG 3.15Å; S150-E153 PolarHBondContact OG-OE2 3.12Å; S150-R154 WeakPolarHBondContact O-CG 3.33Å; S150-R154 PolarHBondContact O-N 3.34Å; S150-R154 PolarHBondContact O-NE 3.33Å
151A98.2Very high98.2Very high51 Ų5179.5 Ų79.542%0.42138%0.38SS..Hα-helixtrans-58.2-54.5176.500000113.5E153 R154 E155A151-E153 VanDerWaalsContact C-N 3.33Å; A151-E153 PolarHBondContact O-N 3.03Å; A151-R154 PolarHBondContact O-N 3.45Å; A151-R154 VanDerWaalsContact O-N 3.15Å; A151-E155 PolarHBondContact O-N 2.83Å; A151-E155 VanDerWaalsContact O-N 3.13Å
152P98.3Very high98.2Very high89 Ų8985.5 Ų85.558%0.57840%0.402SS*.Hα-helixtrans-64.3-35.9-177.524.3-35000112.9R154 E155 H156P152-R154 VanDerWaalsContact C-N 3.32Å; P152-R154 PolarHBondContact O-N 2.9Å; P152-E155 PolarHBondContact O-N 3.42Å; P152-H156 PolarHBondContact O-N 3.28Å
153E98.4Very high98.2Very high73 Ų7382.8 Ų82.834%0.34139%0.394SS..Hα-helixtrans-65.4-36.5176.9-67.8165.714400112.1Q146 L149 S150 A151 L157Q146-E153 VanDerWaalsContact NE2-CD 3.26Å; Q146-E153 PolarHBondContact NE2-OE1 3.46Å; Q146-E153 PolarHBondContact NE2-OE2 3.2Å; Q146-E153 PolarHBondContact OE1-OE1 3.45Å; L149-E153 HydrophobicContact CB-CB 4.27Å; L149-E153 HydrophobicContact CD2-CB 4.21Å; S150-E153 VanDerWaalsContact CB-OE2 3.26Å; S150-E153 WeakPolarHBondContact CB-OE2 3.35Å; S150-E153 PolarHBondContact N-OE2 3.36Å; S150-E153 VanDerWaalsContact OG-CG 3.24Å; S150-E153 WeakPolarHBondContact OG-CG 3.15Å; S150-E153 PolarHBondContact OG-OE2 3.12Å; A151-E153 VanDerWaalsContact C-N 3.33Å; A151-E153 PolarHBondContact O-N 3.03Å; E153-L157 WeakPolarHBondContact O-CB 3.39Å; E153-L157 PolarHBondContact O-N 2.88Å
154R98.6Very high98.2Very high58 Ų5885.6 Ų85.622%0.21941%0.412CS..Hα-helixtrans-66.5-39.9174.8-76-175-72.7132.9-3.1111.6L149 S150 A151 P152 A158 V168L149-R154 HydrophobicContact CB-CG 3.5Å; L149-R154 HydrophobicContact CD1-CG 3.97Å; L149-R154 HydrophobicContact CG-CG 4.4Å; S150-R154 WeakPolarHBondContact O-CG 3.33Å; S150-R154 PolarHBondContact O-N 3.34Å; S150-R154 PolarHBondContact O-NE 3.33Å; A151-R154 PolarHBondContact O-N 3.45Å; A151-R154 VanDerWaalsContact O-N 3.15Å; P152-R154 VanDerWaalsContact C-N 3.32Å; P152-R154 PolarHBondContact O-N 2.9Å; R154-A158 WeakPolarHBondContact O-CB 3.18Å; R154-A158 PolarHBondContact O-N 2.94Å; R154-V168 HydrophobicContact CG-CG1 4.14Å
155E98.6Very high98.2Very high117 Ų11779.4 Ų79.455%0.54740%0.395SS..Hα-helixtrans-62.7-46.7176.6-70.1-179178.100111.3A151 P152 L157 A158 S159 P165A151-E155 PolarHBondContact O-N 2.83Å; A151-E155 VanDerWaalsContact O-N 3.13Å; P152-E155 PolarHBondContact O-N 3.42Å; E155-L157 PolarHBondContact O-N 3.48Å; E155-A158 WeakPolarHBondContact O-CB 3.42Å; E155-A158 PolarHBondContact O-N 3.38Å; E155-S159 PolarHBondContact O-N 3.49Å; E155-S159 PolarHBondContact O-OG 3.13Å; E155-P165 HydrophobicContact CG-CB 4.48Å; E155-P165 HydrophobicContact CG-CG 4.12Å
156H98.5Very high98.3Very high124 Ų12477.4 Ų77.457%0.57439%0.391SS*.Hα-helixtrans-59.8-48.8176.9-177.866.5000112.2P152 A158 S159 L160P152-H156 PolarHBondContact O-N 3.28Å; H156-A158 PolarHBondContact O-N 3.25Å; H156-S159 PolarHBondContact O-N 3.27Å; H156-L160 WeakPolarHBondContact O-CG 3.46Å; H156-L160 PolarHBondContact O-N 2.98Å; H156-L160 VanDerWaalsContact O-N 3.15Å
157L98.5Very high98.3Very high6 Ų677.7 Ų77.73%0.03139%0.392CS..Hα-helixtrans-62.8-43.1178.9-178.356.4000112L139 R142 L149 E153 E155 S159 L160 I161 V168 F172L139-L157 HydrophobicContact CD2-CD2 4.17Å; R142-L157 HydrophobicContact CB-CD2 4.07Å; R142-L157 HydrophobicContact CG-CD1 3.74Å; R142-L157 HydrophobicContact CG-CD2 3.87Å; R142-L157 HydrophobicContact CG-CG 4.42Å; L149-L157 HydrophobicContact CD1-CD2 3.79Å; E153-L157 WeakPolarHBondContact O-CB 3.39Å; E153-L157 PolarHBondContact O-N 2.88Å; E155-L157 PolarHBondContact O-N 3.48Å; L157-S159 VanDerWaalsContact C-N 3.31Å; L157-S159 PolarHBondContact O-N 3.39Å; L157-L160 PolarHBondContact O-N 2.91Å; L157-I161 HydrophobicContact CD1-CD1 4.31Å; L157-I161 HydrophobicContact CD1-CG2 4.18Å; L157-I161 HydrophobicContact CG-CD1 4.16Å; L157-I161 WeakPolarHBondContact O-CG1 3.43Å; L157-I161 PolarHBondContact O-N 3.49Å; L157-I161 VanDerWaalsContact O-N 3.13Å; L157-V168 HydrophobicContact CD2-CG1 3.96Å; L157-F172 HydrophobicContact CD2-CE2 3.99Å; L157-F172 HydrophobicContact CD2-CZ 4.28Å
158A98.6Very high98.3Very high3 Ų371.3 Ų71.33%0.02537%0.368CS..Hα-helixtrans-55.9-45.7177.700000111.5R154 E155 H156 L160 I161 R162 L163 P165 V168R154-A158 WeakPolarHBondContact O-CB 3.18Å; R154-A158 PolarHBondContact O-N 2.94Å; E155-A158 WeakPolarHBondContact O-CB 3.42Å; E155-A158 PolarHBondContact O-N 3.38Å; H156-A158 PolarHBondContact O-N 3.25Å; A158-L160 PolarHBondContact O-N 3.02Å; A158-I161 PolarHBondContact O-N 3.45Å; A158-R162 WeakPolarHBondContact O-CA 3.48Å; A158-R162 PolarHBondContact O-N 3.21Å; A158-L163 CarbonylContact C-O 3.44Å; A158-L163 VanDerWaalsContact CB-O 3.28Å; A158-L163 WeakPolarHBondContact CB-O 3.31Å; A158-L163 PolarHBondContact O-N 3.21Å; A158-L163 VanDerWaalsContact O-O 3.12Å; A158-P165 HydrophobicContact CB-CB 4.49Å; A158-P165 HydrophobicContact CB-CG 4.01Å; A158-V168 HydrophobicContact CB-CG2 4.02Å
159S98.4Very high98.4Very high95 Ų9568.8 Ų68.866%0.66436%0.36SS*.Hα-helixtrans-61.2-43175.8-630000112.6E155 H156 L157E155-S159 PolarHBondContact O-N 3.49Å; E155-S159 PolarHBondContact O-OG 3.13Å; H156-S159 PolarHBondContact O-N 3.27Å; L157-S159 VanDerWaalsContact C-N 3.31Å; L157-S159 PolarHBondContact O-N 3.39Å
160L97.9Very high98.4Very high117 Ų11771.1 Ų71.161%0.61337%0.372SS*.Hα-helixtrans-63.5-42.8-179.7-70.6175.2000113.2H156 L157 A158H156-L160 WeakPolarHBondContact O-CG 3.46Å; H156-L160 PolarHBondContact O-N 2.98Å; H156-L160 VanDerWaalsContact O-N 3.15Å; L157-L160 PolarHBondContact O-N 2.91Å; A158-L160 PolarHBondContact O-N 3.02Å
161I98.1Very high98.4Very high16 Ų1670.1 Ų70.18%0.08236%0.36CS..Hα-helixtrans-100.38.3-174.670.4-175000113.4Q135 E138 L139 L157 A158 L163 V168Q135-I161 HydrophobicContact CG-CB 4.38Å; Q135-I161 PolarHBondContact NE2-O 3.46Å; E138-I161 HydrophobicContact CB-CG2 3.64Å; E138-I161 HydrophobicContact CG-CG2 4.12Å; L139-I161 HydrophobicContact CD1-CD1 4.23Å; L139-I161 HydrophobicContact CD2-CD1 3.64Å; L139-I161 HydrophobicContact CG-CD1 3.7Å; L157-I161 HydrophobicContact CD1-CD1 4.31Å; L157-I161 HydrophobicContact CD1-CG2 4.18Å; L157-I161 HydrophobicContact CG-CD1 4.16Å; L157-I161 WeakPolarHBondContact O-CG1 3.43Å; L157-I161 PolarHBondContact O-N 3.49Å; L157-I161 VanDerWaalsContact O-N 3.13Å; A158-I161 PolarHBondContact O-N 3.45Å; I161-L163 VanDerWaalsContact C-N 3.31Å; I161-L163 HydrophobicContact CD1-CB 4.42Å; I161-L163 HydrophobicContact CD1-CD1 3.69Å; I161-L163 HydrophobicContact CD1-CG 4.18Å; I161-L163 HydrophobicContact CG1-CB 4.04Å; I161-L163 HydrophobicContact CG1-CD1 3.99Å; I161-L163 HydrophobicContact CG1-CG 3.89Å; I161-L163 PolarHBondContact O-N 3.17Å; I161-V168 HydrophobicContact CD1-CG2 4.38Å
162R98.4Very high98.4Very high224 Ų22468 Ų6885%0.84534%0.341SS*.THydrogen-bonded Turntrans53.445-179.4-50.3-176.878.9-171.85.7112.6A158A158-R162 WeakPolarHBondContact O-CA 3.48Å; A158-R162 PolarHBondContact O-N 3.21Å
163L98Very high98.4Very high21 Ų2169 Ų6911%0.1134%0.338CS..  trans-114.9169.4171.4-67.5-176.5000109.8F131 L139 A158 I161 Q167 V168F131-L163 HydrophobicContact CD1-CD1 3.97Å; F131-L163 HydrophobicContact CD1-CD2 3.8Å; F131-L163 HydrophobicContact CE1-CD1 3.92Å; F131-L163 HydrophobicContact CE1-CD2 3.73Å; F131-L163 HydrophobicContact CG-CD1 4.37Å; F131-L163 HydrophobicContact CZ-CD1 4.25Å; L139-L163 HydrophobicContact CD1-CD1 4.18Å; A158-L163 CarbonylContact C-O 3.44Å; A158-L163 VanDerWaalsContact CB-O 3.28Å; A158-L163 WeakPolarHBondContact CB-O 3.31Å; A158-L163 PolarHBondContact O-N 3.21Å; A158-L163 VanDerWaalsContact O-O 3.12Å; I161-L163 VanDerWaalsContact C-N 3.31Å; I161-L163 HydrophobicContact CD1-CB 4.42Å; I161-L163 HydrophobicContact CD1-CD1 3.69Å; I161-L163 HydrophobicContact CD1-CG 4.18Å; I161-L163 HydrophobicContact CG1-CB 4.04Å; I161-L163 HydrophobicContact CG1-CD1 3.99Å; I161-L163 HydrophobicContact CG1-CG 3.89Å; I161-L163 PolarHBondContact O-N 3.17Å; L163-Q167 HydrophobicContact CB-CB 4.39Å; L163-V168 HydrophobicContact CB-CG2 4.33Å
164T98.5Very high98.4Very high68 Ų6870.3 Ų70.342%0.41735%0.348SS..  trans-84.4150171.559.80000111.1T166 Q167 V168T164-T166 PolarHBondContact O-N 2.66Å; T164-T166 VanDerWaalsContact O-N 3.08Å; T164-Q167 WeakPolarHBondContact O-CB 3.17Å; T164-Q167 PolarHBondContact O-N 3.42Å; T164-Q167 WeakPolarHBondContact OG1-CB 3.33Å; T164-Q167 VanDerWaalsContact OG1-CD 3.25Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.26Å; T164-Q167 PolarHBondContact OG1-N 3.04Å; T164-Q167 PolarHBondContact OG1-OE1 3.01Å; T164-V168 PolarHBondContact O-N 3.18Å
165P98.4Very high98.4Very high51 Ų5169.1 Ų69.133%0.33135%0.345SS..Hα-helixtrans-55.2-30.2175.2-25.934.2000113.1E155 A158 K169E155-P165 HydrophobicContact CG-CB 4.48Å; E155-P165 HydrophobicContact CG-CG 4.12Å; A158-P165 HydrophobicContact CB-CB 4.49Å; A158-P165 HydrophobicContact CB-CG 4.01Å; P165-K169 WeakPolarHBondContact O-CB 3.42Å; P165-K169 PolarHBondContact O-N 3.25Å
166T98.4Very high98.3Very high77 Ų7767.5 Ų67.547%0.47233%0.334SS..Hα-helixtrans-70.2-42.4174.7-61.50000112.5T164 V168 K169 I170T164-T166 PolarHBondContact O-N 2.66Å; T164-T166 VanDerWaalsContact O-N 3.08Å; T166-V168 VanDerWaalsContact C-N 3.32Å; T166-V168 PolarHBondContact O-N 3.18Å; T166-K169 WeakPolarHBondContact O-CB 3.14Å; T166-K169 PolarHBondContact O-N 3.34Å; T166-I170 HydrophobicContact CG2-CD1 3.98Å; T166-I170 WeakPolarHBondContact O-CG1 3.45Å; T166-I170 PolarHBondContact O-N 2.93Å
167Q98.3Very high98.3Very high72 Ų7267.3 Ų67.334%0.33633%0.329SS..Hα-helixtrans-62-42.1174.2-77.7164.9-38.900111.3F131 L163 T164 I170 W171F131-Q167 HydrophobicContact CE1-CB 4.41Å; F131-Q167 HydrophobicContact CE1-CG 4.43Å; F131-Q167 HydrophobicContact CZ-CB 4.06Å; F131-Q167 HydrophobicContact CZ-CG 4.32Å; L163-Q167 HydrophobicContact CB-CB 4.39Å; T164-Q167 WeakPolarHBondContact O-CB 3.17Å; T164-Q167 PolarHBondContact O-N 3.42Å; T164-Q167 WeakPolarHBondContact OG1-CB 3.33Å; T164-Q167 VanDerWaalsContact OG1-CD 3.25Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.26Å; T164-Q167 PolarHBondContact OG1-N 3.04Å; T164-Q167 PolarHBondContact OG1-OE1 3.01Å; Q167-I170 PolarHBondContact O-N 3.26Å; Q167-W171 WeakPolarHBondContact O-CB 3.3Å; Q167-W171 PolarHBondContact O-N 3.21Å
168V98.6Very high98.2Very high0 Ų073.3 Ų73.30%036%0.355CS..Hα-helixtrans-60.1-46.7173.2178.70000110.3L139 L149 R154 L157 A158 I161 L163 T164 T166 I170 W171 F172L139-V168 HydrophobicContact CD2-CG1 4.31Å; L139-V168 HydrophobicContact CD2-CG2 4.45Å; L149-V168 HydrophobicContact CD1-CG1 4.16Å; R154-V168 HydrophobicContact CG-CG1 4.14Å; L157-V168 HydrophobicContact CD2-CG1 3.96Å; A158-V168 HydrophobicContact CB-CG2 4.02Å; I161-V168 HydrophobicContact CD1-CG2 4.38Å; L163-V168 HydrophobicContact CB-CG2 4.33Å; T164-V168 PolarHBondContact O-N 3.18Å; T166-V168 VanDerWaalsContact C-N 3.32Å; T166-V168 PolarHBondContact O-N 3.18Å; V168-I170 PolarHBondContact O-N 3.26Å; V168-W171 PolarHBondContact O-N 3.48Å; V168-F172 HydrophobicContact CG1-CD2 3.81Å; V168-F172 HydrophobicContact CG1-CE2 3.87Å; V168-F172 VanDerWaalsContact O-CD2 3.31Å; V168-F172 WeakPolarHBondContact O-CD2 3.44Å; V168-F172 PolarHBondContact O-N 2.99Å
169K98.4Very high97.9Very high100 Ų10077.5 Ų77.544%0.43538%0.375SS..Hα-helixtrans-54.7-50.7176.1-171.5-176.179176.30112.2P165 T166 F172 Q173P165-K169 WeakPolarHBondContact O-CB 3.42Å; P165-K169 PolarHBondContact O-N 3.25Å; T166-K169 WeakPolarHBondContact O-CB 3.14Å; T166-K169 PolarHBondContact O-N 3.34Å; K169-F172 PolarHBondContact O-N 2.97Å; K169-Q173 WeakPolarHBondContact O-CB 3.43Å; K169-Q173 PolarHBondContact O-N 3.4Å
170I98.4Very high97.7Very high78 Ų7879.7 Ų79.740%0.437%0.372SS..Hα-helixtrans-63.6-43.5-179.1-68.9168.1000110.3T166 Q167 V168 F172 Q173 N174T166-I170 HydrophobicContact CG2-CD1 3.98Å; T166-I170 WeakPolarHBondContact O-CG1 3.45Å; T166-I170 PolarHBondContact O-N 2.93Å; Q167-I170 PolarHBondContact O-N 3.26Å; V168-I170 PolarHBondContact O-N 3.26Å; I170-F172 PolarHBondContact O-N 3.22Å; I170-Q173 PolarHBondContact O-N 3.29Å; I170-N174 WeakPolarHBondContact O-CB 3.34Å; I170-N174 VanDerWaalsContact O-CG 3.3Å; I170-N174 PolarHBondContact O-N 3.49Å; I170-N174 PolarHBondContact O-ND2 2.88Å
171W98.4Very high97.5Very high32 Ų3281.6 Ų81.612%0.12137%0.371CS..Hα-helixtrans-61.3-46.6178.2-170.996.7000111.5F131 L139 E140 F143 Q167 V168 Q173 N174 H175F131-W171 AromaticContact CD2-CD1 3.75Å; F131-W171 HydrophobicContact CE2-CB 4.28Å; F131-W171 AromaticContact CE2-CD1 3.66Å; F131-W171 HydrophobicContact CE2-CG 4.32Å; L139-W171 HydrophobicContact CB-CD2 3.88Å; L139-W171 HydrophobicContact CB-CE3 3.86Å; L139-W171 HydrophobicContact CB-CH2 3.67Å; L139-W171 HydrophobicContact CB-CZ2 3.67Å; L139-W171 HydrophobicContact CB-CZ3 3.77Å; L139-W171 HydrophobicContact CD1-CB 4.48Å; L139-W171 HydrophobicContact CD1-CD2 3.85Å; L139-W171 HydrophobicContact CD1-CG 3.8Å; L139-W171 HydrophobicContact CD2-CD2 4.19Å; L139-W171 HydrophobicContact CD2-CE3 4.1Å; L139-W171 HydrophobicContact CD2-CG 4.45Å; L139-W171 HydrophobicContact CG-CD2 4.2Å; L139-W171 HydrophobicContact CG-CE3 4.38Å; E140-W171 HydrophobicContact CB-CH2 4.48Å; E140-W171 HydrophobicContact CG-CH2 3.8Å; E140-W171 HydrophobicContact CG-CZ2 3.79Å; F143-W171 HydrophobicContact CB-CH2 4.34Å; F143-W171 HydrophobicContact CB-CZ3 4.06Å; F143-W171 HydrophobicContact CD2-CZ3 4.35Å; F143-W171 HydrophobicContact CG-CZ3 4.39Å; Q167-W171 WeakPolarHBondContact O-CB 3.3Å; Q167-W171 PolarHBondContact O-N 3.21Å; V168-W171 PolarHBondContact O-N 3.48Å; W171-Q173 VanDerWaalsContact C-N 3.3Å; W171-Q173 PolarHBondContact O-N 3.3Å; W171-N174 PolarHBondContact O-N 3.37Å; W171-H175 HydrophobicContact CE3-CB 4.1Å; W171-H175 HydrophobicContact CH2-CB 4.17Å; W171-H175 AromaticContact CH2-CE1 3.85Å; W171-H175 AromaticContact CH2-CG 3.78Å; W171-H175 AromaticContact CH2-ND1 3.21Å; W171-H175 WeakPolarHBondContact CH2-ND1 3.27Å; W171-H175 AromaticContact CZ2-ND1 3.56Å; W171-H175 HydrophobicContact CZ3-CB 3.88Å; W171-H175 AromaticContact CZ3-CG 3.88Å; W171-H175 AromaticContact CZ3-ND1 3.81Å; W171-H175 VanDerWaalsContact O-CB 3.3Å; W171-H175 WeakPolarHBondContact O-CB 3.29Å; W171-H175 PolarHBondContact O-N 3.16Å
172F98.6Very high97.1Very high6 Ų682.9 Ų82.93%0.02638%0.384CS..Hα-helixtrans-63.4-34.8177-90-106.5000112.5L139 R142 F143 Q146 L149 L157 V168 K169 I170 R176L139-F172 HydrophobicContact CD2-CD2 4.45Å; L139-F172 HydrophobicContact CD2-CE2 3.96Å; R142-F172 HydrophobicContact CB-CZ 4.25Å; F143-F172 HydrophobicContact CB-CE1 4.29Å; F143-F172 HydrophobicContact CB-CZ 4.4Å; F143-F172 AromaticContact CD2-CD1 3.77Å; F143-F172 HydrophobicContact CD2-CD1 3.77Å; F143-F172 AromaticContact CD2-CE1 3.76Å; F143-F172 HydrophobicContact CD2-CE1 3.76Å; F143-F172 HydrophobicContact CE2-CD1 4.33Å; Q146-F172 WeakPolarHBondContact O-CE1 3.4Å; L149-F172 HydrophobicContact CD1-CD1 4.31Å; L149-F172 HydrophobicContact CD1-CD2 4.21Å; L149-F172 HydrophobicContact CD1-CE1 3.72Å; L149-F172 HydrophobicContact CD1-CE2 3.61Å; L149-F172 HydrophobicContact CD1-CZ 3.33Å; L149-F172 HydrophobicContact CD2-CE1 4.31Å; L149-F172 HydrophobicContact CD2-CZ 4.44Å; L149-F172 HydrophobicContact CG-CD1 4.11Å; L149-F172 HydrophobicContact CG-CE1 3.59Å; L149-F172 HydrophobicContact CG-CE2 4.4Å; L149-F172 HydrophobicContact CG-CZ 3.77Å; L157-F172 HydrophobicContact CD2-CE2 3.99Å; L157-F172 HydrophobicContact CD2-CZ 4.28Å; V168-F172 HydrophobicContact CG1-CD2 3.81Å; V168-F172 HydrophobicContact CG1-CE2 3.87Å; V168-F172 VanDerWaalsContact O-CD2 3.31Å; V168-F172 WeakPolarHBondContact O-CD2 3.44Å; V168-F172 PolarHBondContact O-N 2.99Å; K169-F172 PolarHBondContact O-N 2.97Å; I170-F172 PolarHBondContact O-N 3.22Å; F172-R176 WeakPolarHBondContact O-CB 3.49Å; F172-R176 VanDerWaalsContact O-CG 3.29Å; F172-R176 WeakPolarHBondContact O-CG 3.33Å; F172-R176 PolarHBondContact O-N 3.02Å; F172-R176 VanDerWaalsContact O-N 3.12Å; F172-R176 PolarHBondContact O-NE 3.01Å; F172-R176 VanDerWaalsContact O-NE 3.13Å
173Q98.4Very high96.4Very high110 Ų11081.2 Ų81.251%0.51438%0.378SS..Hα-helixtrans-66.9-49.1174.1-172.1169.922.900111.6K169 I170 W171 H175 R176 Y177K169-Q173 WeakPolarHBondContact O-CB 3.43Å; K169-Q173 PolarHBondContact O-N 3.4Å; I170-Q173 PolarHBondContact O-N 3.29Å; W171-Q173 VanDerWaalsContact C-N 3.3Å; W171-Q173 PolarHBondContact O-N 3.3Å; Q173-H175 VanDerWaalsContact C-N 3.32Å; Q173-H175 PolarHBondContact O-N 3.39Å; Q173-R176 PolarHBondContact O-N 3.3Å; Q173-Y177 PolarHBondContact O-N 3.4Å
174N98.1Very high95.6Very high101 Ų10183.1 Ų83.154%0.5440%0.397SS..Hα-helixtrans-61.1-41.7177.7-72.4-17.2000111.7I170 W171 Y177 K178I170-N174 WeakPolarHBondContact O-CB 3.34Å; I170-N174 VanDerWaalsContact O-CG 3.3Å; I170-N174 PolarHBondContact O-N 3.49Å; I170-N174 PolarHBondContact O-ND2 2.88Å; W171-N174 PolarHBondContact O-N 3.37Å; N174-Y177 PolarHBondContact O-N 3.46Å; N174-K178 WeakPolarHBondContact O-CB 3.46Å; N174-K178 PolarHBondContact O-N 3.37Å
175H97.9Very high94.5Very high34 Ų3486.8 Ų86.816%0.15741%0.409CS..Hα-helixtrans-64-46.4179.3-163.4100.5000111.5F143 W171 Q173 Y177 K178 M179F143-H175 AromaticContact CD1-CD2 3.35Å; F143-H175 WeakPolarHBondContact CD1-CD2 3.49Å; F143-H175 AromaticContact CD1-NE2 3.33Å; F143-H175 VanDerWaalsContact CD1-NE2 3.33Å; F143-H175 WeakPolarHBondContact CD1-NE2 3.47Å; F143-H175 HydrophobicContact CD2-CB 4.48Å; F143-H175 AromaticContact CD2-CD2 3.84Å; F143-H175 AromaticContact CE1-CD2 3.15Å; F143-H175 WeakPolarHBondContact CE1-CD2 3.47Å; F143-H175 AromaticContact CE1-NE2 3.4Å; F143-H175 WeakPolarHBondContact CE1-NE2 3.4Å; F143-H175 HydrophobicContact CE2-CB 4.37Å; F143-H175 AromaticContact CE2-CD2 3.67Å; F143-H175 AromaticContact CG-CD2 3.7Å; F143-H175 AromaticContact CG-NE2 3.96Å; F143-H175 AromaticContact CZ-CD2 3.33Å; F143-H175 WeakPolarHBondContact CZ-CD2 3.36Å; W171-H175 HydrophobicContact CE3-CB 4.1Å; W171-H175 HydrophobicContact CH2-CB 4.17Å; W171-H175 AromaticContact CH2-CE1 3.85Å; W171-H175 AromaticContact CH2-CG 3.78Å; W171-H175 AromaticContact CH2-ND1 3.21Å; W171-H175 WeakPolarHBondContact CH2-ND1 3.27Å; W171-H175 AromaticContact CZ2-ND1 3.56Å; W171-H175 HydrophobicContact CZ3-CB 3.88Å; W171-H175 AromaticContact CZ3-CG 3.88Å; W171-H175 AromaticContact CZ3-ND1 3.81Å; W171-H175 VanDerWaalsContact O-CB 3.3Å; W171-H175 WeakPolarHBondContact O-CB 3.29Å; W171-H175 PolarHBondContact O-N 3.16Å; Q173-H175 VanDerWaalsContact C-N 3.32Å; Q173-H175 PolarHBondContact O-N 3.39Å; H175-Y177 VanDerWaalsContact C-N 3.34Å; H175-Y177 PolarHBondContact O-N 3.42Å; H175-K178 PolarHBondContact O-N 3.46Å; H175-M179 PolarHBondContact O-N 3.49Å
176R97.8Very high93.1Very high82 Ų8293 Ų9331%0.30943%0.431SS..Hα-helixtrans-59.9-43.2174.1-74.1180-70.5154.7-3.6112F143 R147 F172 Q173 M179 K180F143-R176 HydrophobicContact CE2-CG 3.76Å; F143-R176 HydrophobicContact CZ-CG 4Å; R147-R176 WeakPolarHBondContact O-CD 3.33Å; F172-R176 WeakPolarHBondContact O-CB 3.49Å; F172-R176 VanDerWaalsContact O-CG 3.29Å; F172-R176 WeakPolarHBondContact O-CG 3.33Å; F172-R176 PolarHBondContact O-N 3.02Å; F172-R176 VanDerWaalsContact O-N 3.12Å; F172-R176 PolarHBondContact O-NE 3.01Å; F172-R176 VanDerWaalsContact O-NE 3.13Å; Q173-R176 PolarHBondContact O-N 3.3Å; R176-M179 PolarHBondContact O-N 3.5Å; R176-K180 WeakPolarHBondContact O-CB 3.5Å; R176-K180 PolarHBondContact O-N 3.14Å
177Y97.8Very high91.2Very high121 Ų12192.4 Ų92.448%0.47544%0.44SS..Hα-helixtrans-62.5-45178.3-173.5-97.3000111.9Q173 N174 H175 M179 K180 R181Q173-Y177 PolarHBondContact O-N 3.4Å; N174-Y177 PolarHBondContact O-N 3.46Å; H175-Y177 VanDerWaalsContact C-N 3.34Å; H175-Y177 PolarHBondContact O-N 3.42Å; Y177-M179 VanDerWaalsContact C-N 3.35Å; Y177-M179 PolarHBondContact O-N 3.4Å; Y177-K180 PolarHBondContact O-N 2.9Å; Y177-R181 WeakPolarHBondContact O-CB 3.45Å; Y177-R181 PolarHBondContact O-N 3.47Å; Y177-R181 PolarHBondContact OH-NH1 3.28Å
178K95.8Very high89.1Confident132 Ų13295.4 Ų95.457%0.57446%0.456SS*.Hα-helixtrans-58.5-45.8176.1-172.3177.669.4173.30111.6N174 H175 K180 R181 A182N174-K178 WeakPolarHBondContact O-CB 3.46Å; N174-K178 PolarHBondContact O-N 3.37Å; H175-K178 PolarHBondContact O-N 3.46Å; K178-K180 PolarHBondContact O-N 3.48Å; K178-R181 PolarHBondContact O-N 3.29Å; K178-A182 WeakPolarHBondContact O-CB 3.17Å; K178-A182 PolarHBondContact O-N 2.68Å
179M93.2Very high86.6Confident91 Ų91103.2 Ų103.245%0.44849%0.492SS..Hα-helixtrans-64.3-41.2179.8-148-169.593.300111.9F143 H175 R176 Y177 R183F143-M179 HydrophobicContact CE1-SD 4.16Å; H175-M179 PolarHBondContact O-N 3.49Å; R176-M179 PolarHBondContact O-N 3.5Å; Y177-M179 VanDerWaalsContact C-N 3.35Å; Y177-M179 PolarHBondContact O-N 3.4Å; M179-R183 PolarHBondContact O-N 3.37Å
180K93.9Very high84.4Confident141 Ų141104.7 Ų104.761%0.61351%0.51SS*.Hα-helixtrans-62.6-45.9174.3-174.9179.268.91710111.4R176 Y177 K178 R183 A184R176-K180 WeakPolarHBondContact O-CB 3.5Å; R176-K180 PolarHBondContact O-N 3.14Å; Y177-K180 PolarHBondContact O-N 2.9Å; K178-K180 PolarHBondContact O-N 3.48Å; K180-R183 PolarHBondContact O-N 3.31Å; K180-A184 PolarHBondContact O-N 3.29Å
181R93.6Very high82Confident157 Ų157105.8 Ų105.859%0.59252%0.52SS*.Hα-helixtrans-64.4-42.3-178.8-165.6170.7-175.7122.7-1.1111.9Y177 K178 R183 A184 E185Y177-R181 WeakPolarHBondContact O-CB 3.45Å; Y177-R181 PolarHBondContact O-N 3.47Å; Y177-R181 PolarHBondContact OH-NH1 3.28Å; K178-R181 PolarHBondContact O-N 3.29Å; R181-R183 VanDerWaalsContact C-N 3.27Å; R181-R183 PolarHBondContact O-N 3.28Å; R181-A184 PolarHBondContact O-N 3.45Å; R181-E185 PolarHBondContact O-N 3.28Å
182A90.8Very high79.8Confident43 Ų43113.3 Ų113.336%0.35556%0.556SS.*Hα-helixtrans-62.1-33.1176.200000113K178 K186K178-A182 WeakPolarHBondContact O-CB 3.17Å; K178-A182 PolarHBondContact O-N 2.68Å; A182-K186 WeakPolarHBondContact O-CG 3.34Å; A182-K186 PolarHBondContact O-N 2.72Å; A182-K186 VanDerWaalsContact O-N 3.17Å
183R82.6Confident77.5Confident189 Ų189119.2 Ų119.271%0.71359%0.587SS**Hα-helixtrans-71.8-36.6175.4-169.8176.4-178.8173.90.3112.3M179 K180 R181 G187M179-R183 PolarHBondContact O-N 3.37Å; K180-R183 PolarHBondContact O-N 3.31Å; R181-R183 VanDerWaalsContact C-N 3.27Å; R181-R183 PolarHBondContact O-N 3.28Å; R183-G187 PolarHBondContact O-N 3.1Å
184A81.5Confident75.3Confident60 Ų60118 Ų11850%0.49659%0.589SS.*Hα-helixtrans-68.8-40.8176.700000111.9K180 R181 G187 M188K180-A184 PolarHBondContact O-N 3.29Å; R181-A184 PolarHBondContact O-N 3.45Å; A184-G187 PolarHBondContact O-N 2.83Å; A184-M188 PolarHBondContact O-N 3.34Å
185E76.3Confident73.1Confident145 Ų145117.9 Ų117.968%0.67860%0.596SS**Hα-helixtrans-65.4-43.4177.4-172.4-175.2179.300112.1R181 G187 M188R181-E185 PolarHBondContact O-N 3.28Å; E185-G187 PolarHBondContact O-N 3.39Å; E185-M188 PolarHBondContact O-N 3.44Å
186K68.1Low71.3Confident182 Ų182121.7 Ų121.779%0.79162%0.624SS**Hα-helixtrans-67.3-21175.1-75.1-176.1175-1700113.9A182 M188A182-K186 WeakPolarHBondContact O-CG 3.34Å; A182-K186 PolarHBondContact O-N 2.72Å; A182-K186 VanDerWaalsContact O-N 3.17Å; K186-M188 VanDerWaalsContact C-N 3.28Å
187G59.6Low69.3Low65 Ų65127.7 Ų127.767%0.6765%0.646SS**THydrogen-bonded Turntrans-80.3-5.7171.600000114R183 A184 E185R183-G187 PolarHBondContact O-N 3.1Å; A184-G187 PolarHBondContact O-N 2.83Å; E185-G187 PolarHBondContact O-N 3.39Å
188M53.2Low67.4Low135 Ų135133.6 Ų133.667%0.66567%0.668SS**THydrogen-bonded Turntrans-11324.3-177-72.8-175.9145.900113A184 E185 K186A184-M188 PolarHBondContact O-N 3.34Å; E185-M188 PolarHBondContact O-N 3.44Å; K186-M188 VanDerWaalsContact C-N 3.28Å
189E47.3Very low65.7Low163 Ų163133.2 Ų133.276%0.76268%0.676SS**SBendtrans-96.215.7175.4-141.5-87.2140.500113
190V50.6Low64Low132 Ų132133.2 Ų133.280%0.869%0.691SS**SBendtrans-12613.1174.3-173.40000112.4
191T49.1Very low62.4Low101 Ų101132.1 Ų132.162%0.6270%0.696SS**  trans-137.798.6167.7-420000107.8L193T191-L193 PolarHBondContact O-N 2.74Å
192H52.1Low60.9Low189 Ų189130 Ų13088%0.87570%0.702SS**  trans-48.785157.1-66.2-93.8000108.3
193L50.6Low59.6Low130 Ų130133.7 Ų133.768%0.68172%0.72SS**  trans-62.2126.1166-71.7176.3000105T191 S195T191-L193 PolarHBondContact O-N 2.74Å; L193-S195 PolarHBondContact O-N 2.99Å; L193-S195 VanDerWaalsContact O-N 3.1Å
194P51.8Low58.5Low86 Ų86133 Ų13356%0.55873%0.729SS**  trans-56.2127.8176.723.8-31.3000106.7
195S50.8Low57.5Low97 Ų97135.4 Ų135.468%0.67874%0.738SS**  trans-18.8127.8166.1177.70000110.9L193 R197L193-S195 PolarHBondContact O-N 2.99Å; L193-S195 VanDerWaalsContact O-N 3.1Å; S195-R197 WeakPolarHBondContact O-CA 3.42Å; S195-R197 PolarHBondContact O-N 3.41Å
196P60.7Low56.3Low115 Ų115139.3 Ų139.375%0.74775%0.746SS**  trans-47.3105.2-178.8-23.330.3000107.9R198P196-R198 PolarHBondContact O-N 3.38Å
197R55.9Low55.6Low208 Ų208137.6 Ų137.679%0.78575%0.746SS**  trans-59.8111.6-173.4-65.3-174-154.4-156.45.4104.4S195 V199S195-R197 WeakPolarHBondContact O-CA 3.42Å; S195-R197 PolarHBondContact O-N 3.41Å; R197-V199 VanDerWaalsContact C-N 3.32Å; R197-V199 PolarHBondContact O-N 3.19Å
198R58.9Low55.2Low244 Ų244138 Ų13892%0.92175%0.75SS**  trans-54.2105.3173-71.4-177.7170.2-173.8-3.2105.3P196 A200P196-R198 PolarHBondContact O-N 3.38Å; R198-A200 PolarHBondContact O-N 3.26Å
199V58.7Low55.1Low125 Ų125140.6 Ų140.676%0.75876%0.758SS**  trans-65.4108.1168.6178.30000103.9R197 V201R197-V199 VanDerWaalsContact C-N 3.32Å; R197-V199 PolarHBondContact O-N 3.19Å; V199-V201 VanDerWaalsContact C-N 3.32Å; V199-V201 PolarHBondContact O-N 3.23Å
200A57.7Low55.2Low90 Ų90137.9 Ų137.974%0.74475%0.754SS**  trans-63.6102.617000000106.1R198 P202R198-A200 PolarHBondContact O-N 3.26Å; A200-P202 VanDerWaalsContact O-CD 3.23Å; A200-P202 WeakPolarHBondContact O-CD 3.24Å
201V61.4Low55Low119 Ų119137.1 Ų137.172%0.72175%0.754SS**  trans-63.7115.2168.5178.50000105.3V199 V203V199-V201 VanDerWaalsContact C-N 3.32Å; V199-V201 PolarHBondContact O-N 3.23Å; V201-V203 PolarHBondContact O-N 2.91Å
202P60.8Low55.1Low111 Ų111139.4 Ų139.472%0.72176%0.757SS**  trans-62113.5173.624.1-29.4000107A200 L204A200-P202 VanDerWaalsContact O-CD 3.23Å; A200-P202 WeakPolarHBondContact O-CD 3.24Å; P202-L204 PolarHBondContact O-N 3.38Å
203V63.4Low54.8Low121 Ų121136.4 Ų136.473%0.73375%0.752SS**  trans-59.3109.9167.9179.40000105.3V201 V205V201-V203 PolarHBondContact O-N 2.91Å; V203-V205 HydrophobicContact CB-CG2 4.26Å; V203-V205 HydrophobicContact CG1-CG2 3.65Å; V203-V205 PolarHBondContact O-N 2.95Å
204L59.7Low54.9Low175 Ų175136.3 Ų136.392%0.91675%0.752SS**  trans-66.282.9167.6-77161.6000107.1P202P202-L204 PolarHBondContact O-N 3.38Å
205V61.8Low54.8Low110 Ų110140 Ų14067%0.66776%0.759SS**  trans-73.5123.5165.2-176.40000106V203 D207V203-V205 HydrophobicContact CB-CG2 4.26Å; V203-V205 HydrophobicContact CG1-CG2 3.65Å; V203-V205 PolarHBondContact O-N 2.95Å; V205-D207 PolarHBondContact O-N 3.23Å
206R50.7Low54.9Low227 Ų227139.5 Ų139.586%0.85776%0.761SS**THydrogen-bonded Turntrans-49.2138.8169.5-99.7-173.8166.5152-3.9109.4
207D52.4Low54.5Low146 Ų146142.2 Ų142.278%0.78176%0.764SS**THydrogen-bonded Turntrans82.831.7172.1-44.2-30.8000117.7V205 K209V205-D207 PolarHBondContact O-N 3.23Å; D207-K209 PolarHBondContact O-N 3.02Å; D207-K209 VanDerWaalsContact O-N 3.16Å
208G52.4Low54.2Low74 Ų74137 Ų13776%0.76375%0.751SS**  trans67.329.9137.200000118.3
209K51.5Low53.9Low189 Ų189130.7 Ų130.782%0.82274%0.735SS**  trans-124.7125.7169.3-65.4-173.9-178.7-179.10112D207 C211D207-K209 PolarHBondContact O-N 3.02Å; D207-K209 VanDerWaalsContact O-N 3.16Å; K209-C211 PolarHBondContact O-N 3.44Å; K209-C211 VanDerWaalsContact O-N 3.16Å
210P48.7Very low53.4Low106 Ų106128 Ų12869%0.68873%0.726SS**  trans-68.3111.2176.225-30.3000110.4H212P210-H212 PolarHBondContact O-N 2.64Å; P210-H212 VanDerWaalsContact O-N 3.14Å; P210-H212 PolarHBondContact O-ND1 2.91Å
211C46.2Very low53Low117 Ų117126.7 Ų126.779%0.79172%0.715SS**  trans-67.7108.9174.7-173.40000109.4K209K209-C211 PolarHBondContact O-N 3.44Å; K209-C211 VanDerWaalsContact O-N 3.16Å
212H51.8Low52.3Low148 Ų148124.5 Ų124.569%0.68570%0.702SS**  trans-84.3129.1175.7-71.945.2000109.5P210 L214P210-H212 PolarHBondContact O-N 2.64Å; P210-H212 VanDerWaalsContact O-N 3.14Å; P210-H212 PolarHBondContact O-ND1 2.91Å; H212-L214 PolarHBondContact O-N 2.83Å
213T45.6Very low51.7Low127 Ų127127.6 Ų127.678%0.77971%0.705SS**  trans13.695.7160.759.90000116.1K215T213-K215 PolarHBondContact O-N 3.01Å; T213-K215 VanDerWaalsContact O-N 3.14Å
214L51.5Low51.1Low128 Ų128130.6 Ų130.667%0.6771%0.711SS**  trans-61.1114.6164.3-70.8169000108.6H212 D218H212-L214 PolarHBondContact O-N 2.83Å; L214-D218 HydrophobicContact CD2-CB 4.32Å
215K50.5Low50.7Low162 Ų162124.9 Ų124.970%0.70469%0.688SS**  trans-70.6147.8167.2-70.7-165.6178.7173.50108.5T213 Q217 D218T213-K215 PolarHBondContact O-N 3.01Å; T213-K215 VanDerWaalsContact O-N 3.14Å; K215-Q217 PolarHBondContact O-N 3.01Å; K215-D218 PolarHBondContact O-N 3.48Å; K215-D218 VanDerWaalsContact O-N 3.12Å
216A53.8Low50.1Low88 Ų88123.2 Ų123.273%0.72769%0.693SS**THydrogen-bonded Turntrans-54.7-9.4-176.400000115.7
217Q51.7Low50Low172 Ų172119.8 Ų119.880%0.80469%0.685SS**THydrogen-bonded Turntrans-79.4-22.4178-73.5176-14.800113.8K215K215-Q217 PolarHBondContact O-N 3.01Å
218D48.3Very low49.8Very low99 Ų99118.9 Ų118.953%0.52969%0.687SS.*THydrogen-bonded Turntrans-83.3-18177.3-84.8-29.8000113.8L214 K215 A220 A221L214-D218 HydrophobicContact CD2-CB 4.32Å; K215-D218 PolarHBondContact O-N 3.48Å; K215-D218 VanDerWaalsContact O-N 3.12Å; D218-A220 PolarHBondContact O-N 3.13Å; D218-A221 PolarHBondContact O-N 3.04Å
219L54.2Low49.6Very low111 Ų111122.3 Ų122.358%0.58169%0.687SS**Hα-helixtrans-65.6-24.7174.6-76.1168.8000112.1A221 F223L219-A221 VanDerWaalsContact C-N 3.34Å; L219-F223 WeakPolarHBondContact O-CD2 3.37Å
220A47.5Very low49.6Very low69 Ų69117.7 Ų117.757%0.5768%0.679SS**Hα-helixtrans-70-30.4175.800000112.5D218 F223D218-A220 PolarHBondContact O-N 3.13Å; A220-F223 PolarHBondContact O-N 2.95Å
221A48.5Very low49.7Very low62 Ų62115.9 Ų115.951%0.51267%0.673SS.*Hα-helixtrans-77.2-27.5179.900000112.6D218 L219 F223 Q224D218-A221 PolarHBondContact O-N 3.04Å; L219-A221 VanDerWaalsContact C-N 3.34Å; A221-F223 VanDerWaalsContact C-N 3.26Å; A221-F223 PolarHBondContact O-N 2.84Å; A221-Q224 PolarHBondContact O-N 3.37Å
222T47.3Very low49.8Very low72 Ų72118.8 Ų118.844%0.44267%0.669SS.*Hα-helixtrans-70-22.1174.9-49.70000112.8Q224 A225 F227T222-Q224 PolarHBondContact O-N 2.98Å; T222-A225 PolarHBondContact O-N 2.87Å; T222-F227 HydrophobicContact CG2-CD2 4.26Å
223F47.4Very low49.8Very low177 Ų177115.8 Ų115.878%0.77666%0.664SS**THydrogen-bonded Turntrans-68.8-18.4173.1-80.1-79.3000113.8L219 A220 A221L219-F223 WeakPolarHBondContact O-CD2 3.37Å; A220-F223 PolarHBondContact O-N 2.95Å; A221-F223 VanDerWaalsContact C-N 3.26Å; A221-F223 PolarHBondContact O-N 2.84Å
224Q52.2Low50.1Low184 Ų184112.9 Ų112.986%0.8665%0.653SS**THydrogen-bonded Turntrans-88.1-14.8174.1-82-176.9-3.500113.5A221 T222A221-Q224 PolarHBondContact O-N 3.37Å; T222-Q224 PolarHBondContact O-N 2.98Å
225A50.8Low50.4Low54 Ų54113 Ų11345%0.44665%0.65SS.*THydrogen-bonded Turntrans-108.260.9179.700000111.2T222 F227T222-A225 PolarHBondContact O-N 2.87Å; A225-F227 VanDerWaalsContact C-N 3.27Å; A225-F227 HydrophobicContact CB-CE2 4.38Å; A225-F227 WeakPolarHBondContact O-CD2 3.34Å; A225-F227 WeakPolarHBondContact O-CE2 2.88Å; A225-F227 WeakPolarHBondContact O-CG 3.3Å; A225-F227 PolarHBondContact O-N 3.37Å
226G48.4Very low50.6Low75 Ų75109 Ų10977%0.77364%0.639SS**THydrogen-bonded Turntrans45.523.814700000121.2
227F49.4Very low50.6Low155 Ų155110.9 Ų110.968%0.6864%0.637SS**  trans-95.2120.9174.6-64.4-68.2000110.1T222 A225 L229T222-F227 HydrophobicContact CG2-CD2 4.26Å; A225-F227 VanDerWaalsContact C-N 3.27Å; A225-F227 HydrophobicContact CB-CE2 4.38Å; A225-F227 WeakPolarHBondContact O-CD2 3.34Å; A225-F227 WeakPolarHBondContact O-CE2 2.88Å; A225-F227 WeakPolarHBondContact O-CG 3.3Å; A225-F227 PolarHBondContact O-N 3.37Å; F227-L229 PolarHBondContact O-N 3.21Å
228P48.4Very low50.8Low128 Ų128109.9 Ų109.983%0.83163%0.632SS**  trans-76.388.7-178.931.4-33.2000109.6S230P228-S230 PolarHBondContact O-N 3.34Å
229L47.1Very low51.1Low146 Ų146112.4 Ų112.476%0.76464%0.64SS**  trans-72.3119.5159.8-75.5169.1000107.9F227 A231F227-L229 PolarHBondContact O-N 3.21Å; L229-A231 PolarHBondContact O-N 3.24Å
230S52.9Low51Low91 Ų91113.6 Ų113.664%0.63665%0.645SS**  trans-45123.2179.4179.50000112.2P228 Y232 S233P228-S230 PolarHBondContact O-N 3.34Å; S230-Y232 PolarHBondContact O-N 3.12Å; S230-S233 PolarHBondContact O-N 3.18Å; S230-S233 PolarHBondContact O-OG 3.29Å
231A49.6Very low51.4Low69 Ų69116 Ų11657%0.5764%0.644SS**THydrogen-bonded Turntrans-59.1-7.8-175.400000115.1L229 S233L229-A231 PolarHBondContact O-N 3.24Å; A231-S233 PolarHBondContact O-N 3.49Å
232Y49.7Very low51.5Low178 Ų178120 Ų12070%0.69865%0.647SS**Hα-helixtrans-70.5-29.1-178.9-158.6-99.1000113.3S230 T236S230-Y232 PolarHBondContact O-N 3.12Å; Y232-T236 PolarHBondContact O-OG1 2.81Å; Y232-T236 VanDerWaalsContact O-OG1 3.14Å
233S51.8Low51.6Low84 Ų84121.9 Ų121.959%0.58765%0.654SS**Hα-helixtrans-75.8-31.8-179.663.60000113S230 A231S230-S233 PolarHBondContact O-N 3.18Å; S230-S233 PolarHBondContact O-OG 3.29Å; A231-S233 PolarHBondContact O-N 3.49Å
234A52Low51.6Low67 Ų67117 Ų11755%0.55465%0.646SS**Hα-helixtrans-69.4-36.7-179.600000112.6T236 L237 H238A234-T236 PolarHBondContact O-N 2.74Å; A234-L237 PolarHBondContact O-N 2.93Å; A234-H238 PolarHBondContact O-N 3.45Å
235Q56.2Low51.6Low131 Ų131115 Ų11561%0.61264%0.637SS**Hα-helixtrans-68.5-35.7-179.7-66.6175.2-2.700112.3L237 H238 Q239Q235-L237 VanDerWaalsContact C-N 3.32Å; Q235-L237 PolarHBondContact O-N 3.39Å; Q235-H238 PolarHBondContact O-N 3.26Å; Q235-Q239 PolarHBondContact O-N 3.24Å; Q235-Q239 VanDerWaalsContact O-N 3.16Å
236T54.5Low51.4Low77 Ų77119.8 Ų119.847%0.47264%0.644SS.*Hα-helixtrans-66.7-34.9-178.9-49.10000111.7Y232 A234 M240Y232-T236 PolarHBondContact O-OG1 2.81Å; Y232-T236 VanDerWaalsContact O-OG1 3.14Å; A234-T236 PolarHBondContact O-N 2.74Å; T236-M240 WeakPolarHBondContact O-CG 3.47Å; T236-M240 PolarHBondContact O-N 3.14Å
237L54.2Low51.2Low128 Ų128121.1 Ų121.167%0.6764%0.642SS**Hα-helixtrans-75.4-35-179.8-151.6130.5000112A234 Q235 M240 Q241A234-L237 PolarHBondContact O-N 2.93Å; Q235-L237 VanDerWaalsContact C-N 3.32Å; Q235-L237 PolarHBondContact O-N 3.39Å; L237-M240 PolarHBondContact O-N 3.36Å; L237-Q241 PolarHBondContact O-N 3.01Å
238H56.2Low51Low151 Ų151118.3 Ų118.370%0.69965%0.647SS**Hα-helixtrans-69-36.2176.5-139.3-151.8000112.1A234 Q235 M240 Q241 Y242A234-H238 PolarHBondContact O-N 3.45Å; Q235-H238 PolarHBondContact O-N 3.26Å; H238-M240 PolarHBondContact O-N 3.45Å; H238-Q241 PolarHBondContact O-N 2.71Å; H238-Y242 PolarHBondContact O-N 2.79Å
239Q54.7Low51Low152 Ų152116.3 Ų116.371%0.7164%0.642SS**Hα-helixtrans-68.6-32.9177.5-170.6157.355.400113.1Q235 N243Q235-Q239 PolarHBondContact O-N 3.24Å; Q235-Q239 VanDerWaalsContact O-N 3.16Å; Q239-N243 PolarHBondContact O-N 3.03Å
240M53.1Low50.9Low136 Ų136115.9 Ų115.967%0.6765%0.646SS**Hα-helixtrans-68.6-37.7175.8-69.7-90.8103.800112.2T236 L237 H238T236-M240 WeakPolarHBondContact O-CG 3.47Å; T236-M240 PolarHBondContact O-N 3.14Å; L237-M240 PolarHBondContact O-N 3.36Å; H238-M240 PolarHBondContact O-N 3.45Å
241Q55.1Low50.9Low119 Ų119118.4 Ų118.456%0.55666%0.657SS**Hα-helixtrans-74.1-34.6-179.1-168.2170.6-31.400112.6L237 H238L237-Q241 PolarHBondContact O-N 3.01Å; H238-Q241 PolarHBondContact O-N 2.71Å
242Y50.7Low50.7Low145 Ų145119.3 Ų119.357%0.56966%0.657SS**Hα-helixtrans-66.1-37.8177.3-162.7-98.8000112.2H238 A244 Q245 Y246H238-Y242 PolarHBondContact O-N 2.79Å; Y242-A244 VanDerWaalsContact C-N 3.34Å; Y242-A244 PolarHBondContact O-N 2.97Å; Y242-Q245 PolarHBondContact O-N 3.14Å; Y242-Y246 HydrophobicContact CD1-CD2 4.28Å; Y242-Y246 AromaticContact CD1-CE2 3.86Å; Y242-Y246 HydrophobicContact CD1-CE2 3.86Å; Y242-Y246 HydrophobicContact CD2-CE2 4.36Å; Y242-Y246 HydrophobicContact CE1-CD2 4.12Å; Y242-Y246 AromaticContact CE1-CE2 3.41Å; Y242-Y246 HydrophobicContact CE1-CE2 3.41Å; Y242-Y246 VanDerWaalsContact CE1-CE2 3.41Å; Y242-Y246 AromaticContact CE2-CE2 3.97Å; Y242-Y246 HydrophobicContact CE2-CE2 3.97Å; Y242-Y246 HydrophobicContact CG-CE2 4.31Å; Y242-Y246 AromaticContact CZ-CE2 3.48Å; Y242-Y246 VanDerWaalsContact CZ-CE2 3.48Å; Y242-Y246 AromaticContact CZ-CZ 3.9Å; Y242-Y246 VanDerWaalsContact O-CD2 3.27Å; Y242-Y246 WeakPolarHBondContact O-CD2 3.23Å; Y242-Y246 PolarHBondContact OH-OH 2.87Å
243N49.9Very low50.3Low113 Ų113120 Ų12060%0.60467%0.667SS**Hα-helixtrans-75.5-22-176.9-147.131.7000113.7Q239 Q245Q239-N243 PolarHBondContact O-N 3.03Å; N243-Q245 VanDerWaalsContact C-N 3.35Å
244A47.4Very low49.8Very low73 Ų73124.3 Ų124.360%0.60368%0.675SS**Hα-helixtrans-73.6-25.2177.900000113.1Y242Y242-A244 VanDerWaalsContact C-N 3.34Å; Y242-A244 PolarHBondContact O-N 2.97Å
245Q51.1Low49.5Very low142 Ų142126.7 Ų126.766%0.66469%0.685SS**SBendtrans-85-13.6-175.2-69.3-174.9-21.800114.2Y242 N243Y242-Q245 PolarHBondContact O-N 3.14Å; N243-Q245 VanDerWaalsContact C-N 3.35Å
246Y47.3Very low49Very low155 Ų155125.7 Ų125.761%0.60869%0.692SS**SBendtrans-101.8-4.9180-67.3-79.9000115Y242Y242-Y246 HydrophobicContact CD1-CD2 4.28Å; Y242-Y246 AromaticContact CD1-CE2 3.86Å; Y242-Y246 HydrophobicContact CD1-CE2 3.86Å; Y242-Y246 HydrophobicContact CD2-CE2 4.36Å; Y242-Y246 HydrophobicContact CE1-CD2 4.12Å; Y242-Y246 AromaticContact CE1-CE2 3.41Å; Y242-Y246 HydrophobicContact CE1-CE2 3.41Å; Y242-Y246 VanDerWaalsContact CE1-CE2 3.41Å; Y242-Y246 AromaticContact CE2-CE2 3.97Å; Y242-Y246 HydrophobicContact CE2-CE2 3.97Å; Y242-Y246 HydrophobicContact CG-CE2 4.31Å; Y242-Y246 AromaticContact CZ-CE2 3.48Å; Y242-Y246 VanDerWaalsContact CZ-CE2 3.48Å; Y242-Y246 AromaticContact CZ-CZ 3.9Å; Y242-Y246 VanDerWaalsContact O-CD2 3.27Å; Y242-Y246 WeakPolarHBondContact O-CD2 3.23Å; Y242-Y246 PolarHBondContact OH-OH 2.87Å
247S44.5Very low48.5Very low103 Ų103126.4 Ų126.472%0.7271%0.707SS**SBendtrans-94.410.1-178.7-76.50000115
248A45.4Very low48.1Very low96 Ų96128.8 Ų128.879%0.79371%0.714SS**SBendtrans-93.210.6-172.900000115.6
249A48.3Very low47.6Very low87 Ų87129 Ų12972%0.71972%0.715SS**SBendtrans-144.765.1-177.300000113.6
250T44.6Very low47.2Very low137 Ų137128.8 Ų128.884%0.8472%0.718SS**  trans-165.3109.9151.4-40000110.2P252T250-P252 WeakPolarHBondContact O-CD 3.3Å
251T51.6Low46.9Very low143 Ų143128.7 Ų128.788%0.87772%0.717SS**  trans-89.5103.7162.730.10000108.8
252P46.7Very low46.6Very low88 Ų88130.2 Ų130.257%0.57172%0.724SS**PPolyproline II helixtrans-82.9120.6162.730.5-30000109.7T250 F254T250-P252 WeakPolarHBondContact O-CD 3.3Å; P252-F254 HydrophobicContact CB-CE2 4.17Å; P252-F254 HydrophobicContact CG-CE2 3.86Å; P252-F254 PolarHBondContact O-N 3.14Å
253Q40Very low46.5Very low193 Ų193128.9 Ų128.990%0.90273%0.731SS**PPolyproline II helixtrans-66.5116.5168.1-172.9178.815.300109
254F41.7Very low46.2Very low174 Ų174130.3 Ų130.376%0.76373%0.734SS**PPolyproline II helixtrans-103.3135.2172.5-76.8-80.2000110.5P252P252-F254 HydrophobicContact CB-CE2 4.17Å; P252-F254 HydrophobicContact CG-CE2 3.86Å; P252-F254 PolarHBondContact O-N 3.14Å
255P46.1Very low45.9Very low118 Ų118135 Ų13577%0.76674%0.744SS**PPolyproline II helixtrans-77.3140.2172.730.8-30.2000110.8A257P255-A257 PolarHBondContact O-N 3.16Å
256S46.7Very low45.3Very low109 Ų109138.3 Ų138.376%0.76275%0.75SS**PPolyproline II helixtrans-55.6119.9174.2-175.80000111.5
257A43.9Very low45.5Very low93 Ų93137.1 Ų137.177%0.76976%0.759SS**  trans-109.6111.5166.800000108.5P255 H259P255-A257 PolarHBondContact O-N 3.16Å; A257-H259 PolarHBondContact O-N 3.48Å
258H44.1Very low46Very low178 Ų178146.4 Ų146.482%0.82478%0.779SS**  trans-61.6122.5173.1-79-99.5000110.2L260H258-L260 PolarHBondContact O-N 3Å
259H46.6Very low46Very low154 Ų154149 Ų14971%0.71378%0.778SS**  trans-82100.8173.9-168.194.2000109.3A257 M261A257-H259 PolarHBondContact O-N 3.48Å; H259-M261 WeakPolarHBondContact CD2-CG 3.42Å; H259-M261 WeakPolarHBondContact NE2-CG 3.21Å; H259-M261 PolarHBondContact O-N 3.12Å; H259-M261 VanDerWaalsContact O-N 3.12Å
260L45.5Very low45.9Very low148 Ų148152.2 Ų152.278%0.77578%0.781SS**  trans-75.591.5167.7-161.996.6000108.3H258 Q262H258-L260 PolarHBondContact O-N 3Å; L260-Q262 HydrophobicContact CD2-CG 4.33Å; L260-Q262 PolarHBondContact O-N 3.01Å; L260-Q262 VanDerWaalsContact O-N 3.09Å
261M47.8Very low46Very low134 Ų134153.1 Ų153.166%0.6678%0.778SS**  trans-68.3102.1165.2-82.8-127.796.400108.8H259 T263H259-M261 WeakPolarHBondContact CD2-CG 3.42Å; H259-M261 WeakPolarHBondContact NE2-CG 3.21Å; H259-M261 PolarHBondContact O-N 3.12Å; H259-M261 VanDerWaalsContact O-N 3.12Å; M261-T263 PolarHBondContact O-N 3.16Å
262Q48.6Very low45.7Very low151 Ų151153.6 Ų153.671%0.70677%0.772SS**  trans-77.499.2155.2-89.3-179.36.500108.3L260 Q264L260-Q262 HydrophobicContact CD2-CG 4.33Å; L260-Q262 PolarHBondContact O-N 3.01Å; L260-Q262 VanDerWaalsContact O-N 3.09Å; Q262-Q264 PolarHBondContact O-N 2.84Å; Q262-Q264 VanDerWaalsContact O-N 3.12Å
263T47.8Very low45.6Very low117 Ų117157.8 Ų157.872%0.71879%0.785SS**  trans-7294.7166.144.20000109M261 Q265M261-T263 PolarHBondContact O-N 3.16Å; T263-Q265 PolarHBondContact O-N 3.39Å; T263-Q265 VanDerWaalsContact O-N 3.09Å
264Q44.1Very low46Very low143 Ų143155.4 Ų155.467%0.66878%0.777SS**  trans-74.597.5162.9-71.3-165.150.900108.9Q262Q262-Q264 PolarHBondContact O-N 2.84Å; Q262-Q264 VanDerWaalsContact O-N 3.12Å
265Q40.8Very low46.3Very low172 Ų172154.1 Ų154.180%0.80478%0.778SS**  trans-67.7120.5166.258.4-167.610.800109.6T263T263-Q265 PolarHBondContact O-N 3.39Å; T263-Q265 VanDerWaalsContact O-N 3.09Å
266W40.2Very low46.3Very low211 Ų211156.8 Ų156.880%0.79978%0.779SS**  trans-102.7111.7166.5-68.288000107.3
267T49.8Very low46.2Very low130 Ų130160.8 Ų160.880%0.79878%0.78SS**  trans-8013717451.30000109.6
268W55.9Low46.5Very low299 Ų299167 Ų167100%1.13378%0.782SS**  trans-770179.4-68.288.6000112.3

Retrieved 268 of 268 residues in 687.3 ms (Link to these results)