A0A093I8N8_STRCA Loading...

Zinc finger CCHC domain-containing protein 9

May down-regulate transcription mediated by NF-kappa-B and the serum response element.

AlphaFold DB , UniProt , Accession A0A093I8N8, Species STRCA (Struthio camelus australis), Gene n/a, Length 266 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
1M42.4Very low46.4Very low247 Ų247179.3 Ų179.3100%1.21790%0.898SS**  0101.20-94.4161.8176.300108.8
2T45.4Very low46.8Very low142 Ų142173.8 Ų173.887%0.87189%0.89SS**  trans-120.6118.9176.435.60000108.9
3R41.3Very low47.2Very low250 Ų250175.2 Ų175.294%0.94389%0.89SS**  trans-65123.4-176.4-82.4151.962162.2-3.3110.5A5R3-A5 PolarHBondContact O-N 2.98Å
4W44.1Very low48.1Very low252 Ų252176.4 Ų176.496%0.95589%0.886SS**  trans-80.1108.8162.4-105.8-53.7000109.6
5A47.1Very low49.1Very low95 Ų95170.8 Ų170.879%0.78588%0.878SS**PPolyproline II helixtrans-70.7124.1167.100000109.4R3R3-A5 PolarHBondContact O-N 2.98Å
6R50.7Low50.2Low238 Ų238170.7 Ų170.790%0.89888%0.879SS**PPolyproline II helixtrans-82.5118.4166.7-67.4-176.8-179.4-173.9-0.1107.8N8R6-N8 PolarHBondContact O-N 2.83Å
7K45.1Very low51.2Low210 Ų210170.1 Ų170.191%0.91388%0.878SS**PPolyproline II helixtrans-67.3123.6167.6-94.9180171.7178.40108.6A9K7-A9 PolarHBondContact O-N 3.09Å
8N49.3Very low52.2Low160 Ų160165.8 Ų165.886%0.85687%0.872SS**  trans-74.1113165.5-76.4-19000108.3R6 A10R6-N8 PolarHBondContact O-N 2.83Å; N8-A10 PolarHBondContact O-N 2.8Å
9A46.2Very low53.5Low104 Ų104162.4 Ų162.486%0.8686%0.858SS**  trans-85.792.2169.600000108.5K7 H11K7-A9 PolarHBondContact O-N 3.09Å; A9-H11 VanDerWaalsContact C-N 3.34Å; A9-H11 PolarHBondContact O-N 3.09Å
10A51.8Low54.5Low87 Ų87158.3 Ų158.372%0.71984%0.841SS**  trans-83.880.1166.700000109N8N8-A10 PolarHBondContact O-N 2.8Å
11H46.9Very low54.5Low187 Ų187160.1 Ų160.187%0.86684%0.837SS**  trans-143.197.8155.5-87.1-67.3000107.3A9 E13A9-H11 VanDerWaalsContact C-N 3.34Å; A9-H11 PolarHBondContact O-N 3.09Å; H11-E13 PolarHBondContact O-N 2.97Å
12S51.2Low55.6Low114 Ų114154.8 Ų154.880%0.79781%0.809SS**  trans-7893.9176.654.90000109.8K14S12-K14 PolarHBondContact O-N 3.37Å
13E52.5Low56.3Low192 Ų192154.4 Ų154.490%0.89780%0.797SS**PPolyproline II helixtrans-68.7119.8150-75.5-166.4164.200106.9H11 A15H11-E13 PolarHBondContact O-N 2.97Å; E13-A15 PolarHBondContact O-N 3.19Å
14K59.9Low57.2Low191 Ų191150 Ų15083%0.8379%0.789SS**PPolyproline II helixtrans-58.4125.6179.7-71.1171178.6173.70108.1S12 L16S12-K14 PolarHBondContact O-N 3.37Å; K14-L16 PolarHBondContact O-N 3.22Å
15A62.6Low57.8Low93 Ų93142 Ų14277%0.76977%0.768SS**PPolyproline II helixtrans-55.4124166.200000107.6E13 D17E13-A15 PolarHBondContact O-N 3.19Å; A15-D17 PolarHBondContact O-N 3.17Å
16L66.6Low57.7Low169 Ų169145.6 Ų145.689%0.88577%0.766SS**PPolyproline II helixtrans-59.9136.3171.7-65.1172.4000108.3K14K14-L16 PolarHBondContact O-N 3.22Å
17D68Low57.3Low161 Ų161137.9 Ų137.986%0.86176%0.76SS**PPolyproline II helixtrans-62.5137.8-178.7-73.9-42.2000110.7A15 T19A15-D17 PolarHBondContact O-N 3.17Å; D17-T19 PolarHBondContact O-N 2.9Å
18A69.3Low57.4Low93 Ų93133.2 Ų133.277%0.76975%0.754SS**PPolyproline II helixtrans-60.7136.3179.700000110.5
19T76.4Confident56.8Low100 Ų100130.3 Ų130.361%0.61375%0.746SS**PPolyproline II helixtrans-58129.1177.1370000110.7D17D17-T19 PolarHBondContact O-N 2.9Å
20P73.8Confident56.1Low80 Ų80137 Ų13752%0.51975%0.749SS.*PPolyproline II helixtrans-63.2139.8-178.9-22.933.5000112.3E22 E23P20-E22 PolarHBondContact O-N 2.88Å; P20-E23 PolarHBondContact O-N 3.39Å; P20-E23 VanDerWaalsContact O-N 3.1Å
21W53.3Low55.1Low198 Ų198141.7 Ų141.775%0.7576%0.756SS**Hα-helixtrans-53.6-27-175.7128.7-84.8000114.5E23 M24 V25W21-E23 VanDerWaalsContact C-N 3.29Å; W21-E23 PolarHBondContact O-N 3.13Å; W21-M24 PolarHBondContact O-N 3.22Å; W21-V25 HydrophobicContact CD2-CG2 4.18Å; W21-V25 HydrophobicContact CE3-CG2 3.93Å; W21-V25 HydrophobicContact CH2-CG2 3.66Å; W21-V25 HydrophobicContact CZ2-CG2 3.9Å; W21-V25 HydrophobicContact CZ3-CG2 3.67Å
22E65.5Low54.4Low134 Ų134139.1 Ų139.163%0.62675%0.754SS**Hα-helixtrans-70-23.9-177.1-61.5-178.4167.200113.3P20P20-E22 PolarHBondContact O-N 2.88Å
23E61.1Low53.5Low135 Ų135138 Ų13863%0.63175%0.751SS**Hα-helixtrans-80.7-30.3179.3-65.6-173.2162.400112.3P20 W21 V25P20-E23 PolarHBondContact O-N 3.39Å; P20-E23 VanDerWaalsContact O-N 3.1Å; W21-E23 VanDerWaalsContact C-N 3.29Å; W21-E23 PolarHBondContact O-N 3.13Å; E23-V25 VanDerWaalsContact C-N 3.34Å; E23-V25 PolarHBondContact O-N 3.36Å
24M60.1Low52.4Low158 Ų158139.3 Ų139.378%0.77875%0.754SS**Hα-helixtrans-71.6-26.9175.8-96.9-173.9-178.800113.3W21W21-M24 PolarHBondContact O-N 3.22Å
25V55.6Low50.9Low83 Ų83133.8 Ų133.850%0.50375%0.751SS.*Hα-helixtrans-79.7-27-178.4178.30000112W21 E23 G27W21-V25 HydrophobicContact CD2-CG2 4.18Å; W21-V25 HydrophobicContact CE3-CG2 3.93Å; W21-V25 HydrophobicContact CH2-CG2 3.66Å; W21-V25 HydrophobicContact CZ2-CG2 3.9Å; W21-V25 HydrophobicContact CZ3-CG2 3.67Å; E23-V25 VanDerWaalsContact C-N 3.34Å; E23-V25 PolarHBondContact O-N 3.36Å; V25-G27 VanDerWaalsContact C-N 3.3Å; V25-G27 PolarHBondContact O-N 3.46Å
26K46.1Very low49.3Very low171 Ų171138.5 Ų138.574%0.74375%0.754SS**G310 helixtrans-77.8-9.7-179.9-76.5175179.6168.60114.3S28K26-S28 VanDerWaalsContact C-N 3.32Å; K26-S28 PolarHBondContact O-N 3.5Å
27G43Very low47.4Very low75 Ų75139.2 Ų139.277%0.77375%0.753SS**G310 helixtrans-78.9-0.4-17800000116.4V25V25-G27 VanDerWaalsContact C-N 3.3Å; V25-G27 PolarHBondContact O-N 3.46Å
28S45.8Very low45.6Very low113 Ų113135.2 Ų135.279%0.7975%0.75SS**G310 helixtrans-116.420.7-171.9-165.70000115.9K26K26-S28 VanDerWaalsContact C-N 3.32Å; K26-S28 PolarHBondContact O-N 3.5Å
29S36.7Very low43.7Very low99 Ų99138.6 Ų138.669%0.69276%0.755SS**  trans-150.7101.6175.3660000115.4
30R31.8Very low41.6Very low245 Ų245140.7 Ų140.793%0.92576%0.763SS**  trans-174.2115.3143-103.6166.7172.9-179-3.2105
31E31.5Very low39.6Very low185 Ų185142.6 Ų142.686%0.86478%0.778SS**  -141.3132.778.1-75.8172.7155.500114.6
32T31.4Very low38.7Very low133 Ų133138.6 Ų138.682%0.81678%0.78SS**  trans9.4159.8145.653.40000122.5
33A32.6Very low37.8Very low89 Ų89137.5 Ų137.574%0.73678%0.784SS**  cis171.4142.7-2200000107.2
34K29.3Very low36.1Very low221 Ų221138.1 Ų138.196%0.96179%0.791SS**  trans140.4131.8159.1-87.1175.7175.9177.50109.3
35G28.2Very low34.9Very low74 Ų74135.2 Ų135.276%0.76379%0.787SS**  cis166.6158.10.500000109.3
36K29.8Very low33.8Very low192 Ų192138.7 Ų138.784%0.83580%0.802SS**  trans87.8107.1162.2-73.8-173.1169.5-1740122.5
37E27.2Very low33.1Very low184 Ų184139.6 Ų139.686%0.8681%0.806SS**  54.2130.7119.9-64.5179.8153.200122.5
38G28.4Very low32.6Very low78 Ų78145.3 Ų145.380%0.80481%0.809SS**  trans150.581.3149.500000119
39N29.8Very low31.9Very low164 Ų164148.5 Ų148.588%0.87781%0.811SS**  trans50.8148.5140.5-111.8-21.7000125.7
40N32.8Very low32.1Very low144 Ų144151.2 Ų151.277%0.7781%0.813SS**  trans-68.7145.3-172.6-69.3-57.6000116.6
41S31.9Very low32.4Very low120 Ų120147.3 Ų147.384%0.83981%0.806SS**  160134.7118.751.20000111.5
42S34.8Very low32.7Very low114 Ų114147.2 Ų147.280%0.79780%0.802SS**  trans-87.3175.4166.2-53.80000109.1
43P46Very low33.1Very low110 Ų110149.5 Ų149.571%0.71480%0.801SS**  cis-144.7-173.713.234.3-9.7000115.8
44L26.2Very low33.4Very low149 Ų149154.8 Ų154.878%0.7881%0.807SS**  trans112.9111.7152.3-66.5153.4000118.2
45S35.2Very low34Very low97 Ų97154 Ų15468%0.67880%0.804SS**  50.7124.5129.6-56.50000119.7
46L32.2Very low34.8Very low156 Ų156159.7 Ų159.782%0.81781%0.808SS**  -178.1126.4124.8-92.2156.8000111.7
47K31.1Very low35.7Very low190 Ų190158.2 Ų158.283%0.82681%0.809SS**  trans36.3100.8149.9-67.7173.6178.3174.70118E49K47-E49 PolarHBondContact O-N 3.02Å
48K31.1Very low36.9Very low194 Ų194157.8 Ų157.884%0.84380%0.804SS**  trans-83.688.9161.5-159.7169.1-170168.50109.1Q50K48-Q50 PolarHBondContact O-N 2.9Å; K48-Q50 VanDerWaalsContact O-N 3.16Å
49E32.4Very low38.1Very low180 Ų180163.2 Ų163.284%0.84181%0.805SS**  trans-59.6113.9159.6-81-155131.800108.1K47 E51K47-E49 PolarHBondContact O-N 3.02Å; E49-E51 PolarHBondContact O-N 3.28Å; E49-E51 VanDerWaalsContact O-N 3.16Å
50Q40.2Very low39.2Very low156 Ų156163.4 Ų163.473%0.72980%0.799SS**  trans-79.892.4170.1-71.6-176.3-8.700108K48 K52K48-Q50 PolarHBondContact O-N 2.9Å; K48-Q50 VanDerWaalsContact O-N 3.16Å; Q50-K52 VanDerWaalsContact C-N 3.27Å; Q50-K52 PolarHBondContact O-N 3.45Å
51E37.3Very low40.4Very low164 Ų164164.4 Ų164.477%0.76680%0.796SS**  trans-57.895.4157.4-83.1-165.8133.800108.6E49 K53E49-E51 PolarHBondContact O-N 3.28Å; E49-E51 VanDerWaalsContact O-N 3.16Å; E51-K53 PolarHBondContact O-N 3.42Å
52K39.6Very low41.4Very low183 Ų183166.1 Ų166.180%0.79680%0.796SS**  trans-6986.3164.6-80.1179.4178.7170.30107.7Q50 K54Q50-K52 VanDerWaalsContact C-N 3.27Å; Q50-K52 PolarHBondContact O-N 3.45Å; K52-K54 PolarHBondContact O-N 3.33Å
53K38.4Very low42.4Very low180 Ų180168.2 Ų168.278%0.78379%0.787SS**  trans-50.9109166.5-79.7-178.4177174.50108.5E51 K55E51-K53 PolarHBondContact O-N 3.42Å; K53-K55 PolarHBondContact O-N 3.45Å; K53-K55 VanDerWaalsContact O-N 3.08Å
54K38.7Very low43.1Very low200 Ų200168.9 Ų168.987%0.8778%0.784SS**  trans-47.5115.6172.2-77177.3174.9176.30108.2K52 K56K52-K54 PolarHBondContact O-N 3.33Å; K54-K56 PolarHBondContact O-N 3.37Å
55K41.8Very low44.8Very low204 Ų204165.4 Ų165.489%0.88777%0.767SS**  trans-60.7100.5168-84.9179.8176173.70106.8K53 N57K53-K55 PolarHBondContact O-N 3.45Å; K53-K55 VanDerWaalsContact O-N 3.08Å; K55-N57 PolarHBondContact O-N 2.96Å
56K45.1Very low46.2Very low195 Ų195167.1 Ų167.185%0.84876%0.764SS**  trans-53.2127.1169.9-69.5-177.6177.7-1800107.3K54 K58K54-K56 PolarHBondContact O-N 3.37Å; K56-K58 PolarHBondContact O-N 3.12Å
57N48.4Very low47.5Very low160 Ų160162.8 Ų162.886%0.85674%0.741SS**  trans-49.5111.3174.1-78.8-23.4000107.8K55 K59K55-N57 PolarHBondContact O-N 2.96Å; N57-K59 PolarHBondContact O-N 2.96Å
58K53.6Low48.8Very low176 Ų176159 Ų15977%0.76573%0.734SS**  trans-64.8105.8-175.5-159.7169.9-172.9171.80105.9K56 K60K56-K58 PolarHBondContact O-N 3.12Å; K58-K60 PolarHBondContact O-N 3.47Å
59K53.1Low50.4Low191 Ų191156.7 Ų156.783%0.8373%0.731SS**  trans-45.9133.3170.6-75.2-176.7177.7-177.20106.8N57 K61N57-K59 PolarHBondContact O-N 2.96Å; K59-K61 PolarHBondContact O-N 3.25Å
60K52.5Low52.1Low169 Ų169149 Ų14974%0.73570%0.699SS**  trans-50.9116.9176.7-149.5178.3-169.8178.90105.8K58 D62K58-K60 PolarHBondContact O-N 3.47Å; K60-D62 PolarHBondContact O-N 3.2Å
61K57.9Low53.4Low165 Ų165147.4 Ų147.472%0.71769%0.69SS**  trans-55.3117-177.7-79.7-174.8172.5-171.10106.5K59 Y63K59-K61 PolarHBondContact O-N 3.25Å; K61-Y63 VanDerWaalsContact C-N 3.33Å; K61-Y63 PolarHBondContact O-N 3.32Å
62D54.3Low54.8Low155 Ų155143.5 Ų143.583%0.82967%0.673SS**  trans-58.7108167.2-74-37.3000105.4K60 L64K60-D62 PolarHBondContact O-N 3.2Å; D62-L64 PolarHBondContact O-N 3.15Å
63Y54.5Low56.1Low158 Ų158140.5 Ų140.562%0.6266%0.662SS**  trans-79.786.3-174.4-167.1-79.3000105K61 N65 R113K61-Y63 VanDerWaalsContact C-N 3.33Å; K61-Y63 PolarHBondContact O-N 3.32Å; Y63-N65 PolarHBondContact O-N 3.1Å; Y63-R113 VanDerWaalsContact CB-NH2 3.32Å; Y63-R113 PolarHBondContact O-NH2 2.86Å
64L61.4Low57.6Low124 Ų124139.1 Ų139.165%0.64965%0.653SS**  trans-54.4127.3168.9-77.1161.6000106.7D62 E66D62-L64 PolarHBondContact O-N 3.15Å; L64-E66 HydrophobicContact CB-CG 4.14Å; L64-E66 PolarHBondContact O-N 3.09Å
65N61.9Low58.9Low77 Ų77131.9 Ų131.941%0.41262%0.623SS.*  trans-75.661.7175.4-166.138.4000108.5Y63 E110Y63-N65 PolarHBondContact O-N 3.1Å; N65-E110 VanDerWaalsContact CG-CD 3.41Å; N65-E110 WeakPolarHBondContact ND2-CG 3.47Å; N65-E110 PolarHBondContact ND2-OE1 3.33Å
66E63.8Low60.1Low133 Ų133128.3 Ų128.362%0.62161%0.608SS**  trans-76139.4168.9-75168.1-170.700107.4L64 V68L64-E66 HydrophobicContact CB-CG 4.14Å; L64-E66 PolarHBondContact O-N 3.09Å; E66-V68 VanDerWaalsContact O-CG2 3.23Å; E66-V68 WeakPolarHBondContact O-CG2 3.48Å; E66-V68 PolarHBondContact O-N 3.23Å
67D60.1Low61.1Low64 Ų64124.1 Ų124.134%0.34259%0.591SS.*  trans-68.483179.8-178.516.2000110N69 G70 F71 M72D67-N69 PolarHBondContact O-N 3.33Å; D67-N69 VanDerWaalsContact O-N 3.08Å; D67-G70 PolarHBondContact O-N 3.2Å; D67-G70 VanDerWaalsContact O-N 3.13Å; D67-G70 PolarHBondContact OD1-N 3.25Å; D67-G70 VanDerWaalsContact OD2-CA 3.27Å; D67-G70 WeakPolarHBondContact OD2-CA 3.44Å; D67-F71 PolarHBondContact OD1-N 3.26Å; D67-F71 PolarHBondContact OD2-N 2.91Å; D67-M72 WeakPolarHBondContact OD2-CA 3.33Å; D67-M72 VanDerWaalsContact OD2-CB 3.27Å; D67-M72 WeakPolarHBondContact OD2-CB 3.46Å; D67-M72 PolarHBondContact OD2-N 3.37Å
68V59.5Low61.7Low112 Ų112118.7 Ų118.768%0.67957%0.568SS**THydrogen-bonded Turntrans-60.3-23.2-173.5-172.20000112.4E66E66-V68 VanDerWaalsContact O-CG2 3.23Å; E66-V68 WeakPolarHBondContact O-CG2 3.48Å; E66-V68 PolarHBondContact O-N 3.23Å
69N64.1Low61.7Low145 Ų145112.4 Ų112.478%0.77555%0.547SS*.THydrogen-bonded Turntrans-107.63.7-176-71.326.9000112.9D67 F71D67-N69 PolarHBondContact O-N 3.33Å; D67-N69 VanDerWaalsContact O-N 3.08Å; N69-F71 PolarHBondContact O-N 2.95Å
70G68.4Low61.7Low17 Ų17110.6 Ų110.618%0.17554%0.541CS..  trans55.733-174.400000112.3D67 E73 Y74D67-G70 PolarHBondContact O-N 3.2Å; D67-G70 VanDerWaalsContact O-N 3.13Å; D67-G70 PolarHBondContact OD1-N 3.25Å; D67-G70 VanDerWaalsContact OD2-CA 3.27Å; D67-G70 WeakPolarHBondContact OD2-CA 3.44Å; G70-E73 CarbonylContact O-C 3.53Å; G70-E73 PolarHBondContact O-N 2.94Å; G70-Y74 WeakPolarHBondContact O-CB 3.48Å; G70-Y74 PolarHBondContact O-N 2.88Å
71F67.6Low61.7Low124 Ų124105.4 Ų105.454%0.54453%0.53SS..Hα-helixtrans-66.9-36-179.2-178.9-104000112.4D67 N69 L75D67-F71 PolarHBondContact OD1-N 3.26Å; D67-F71 PolarHBondContact OD2-N 2.91Å; N69-F71 PolarHBondContact O-N 2.95Å; F71-L75 HydrophobicContact CD1-CD1 4.09Å; F71-L75 HydrophobicContact CE1-CD1 3.65Å; F71-L75 HydrophobicContact CZ-CD1 4.05Å; F71-L75 PolarHBondContact O-N 3.28Å
72M65.7Low61.1Low82 Ų82103.2 Ų103.240%0.40453%0.53SS..Hα-helixtrans-71.1-36.6171.1-67.7-163.858.500111.9D67 K76 L103D67-M72 WeakPolarHBondContact OD2-CA 3.33Å; D67-M72 VanDerWaalsContact OD2-CB 3.27Å; D67-M72 WeakPolarHBondContact OD2-CB 3.46Å; D67-M72 PolarHBondContact OD2-N 3.37Å; M72-K76 WeakPolarHBondContact O-CG 3.27Å; M72-K76 PolarHBondContact O-N 2.94Å; M72-K76 VanDerWaalsContact O-N 3.11Å; M72-L103 HydrophobicContact CE-CD2 3.68Å; M72-L103 HydrophobicContact SD-CD2 4.45Å
73E67.3Low60.4Low119 Ų119106 Ų10656%0.55653%0.529SS*.Hα-helixtrans-67.7-40.3171.9-81.6-175.9163.200111.7G70 L75 K76 Q77G70-E73 CarbonylContact O-C 3.53Å; G70-E73 PolarHBondContact O-N 2.94Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 3.23Å; E73-K76 CarbonylContact O-C 3.58Å; E73-K76 WeakPolarHBondContact O-CB 3.48Å; E73-K76 PolarHBondContact O-N 3.49Å; E73-K76 VanDerWaalsContact O-N 3.15Å; E73-Q77 VanDerWaalsContact O-CB 3.3Å; E73-Q77 WeakPolarHBondContact O-CB 3.46Å; E73-Q77 VanDerWaalsContact O-CG 3.26Å; E73-Q77 WeakPolarHBondContact O-CG 3.4Å; E73-Q77 PolarHBondContact O-N 3.31Å
74Y69.8Low59.8Low152 Ų152108 Ų10860%0.59654%0.541SS*.Hα-helixtrans-63.4-38.7175.3175.5-101.6000111.2G70 Q77 A78G70-Y74 WeakPolarHBondContact O-CB 3.48Å; G70-Y74 PolarHBondContact O-N 2.88Å; Y74-Q77 PolarHBondContact O-N 3.5Å; Y74-A78 WeakPolarHBondContact O-CA 3.44Å; Y74-A78 WeakPolarHBondContact O-CB 3.3Å; Y74-A78 PolarHBondContact O-N 3.45Å
75L66Low59.1Low47 Ų47106.4 Ų106.425%0.24655%0.554CS.*Hα-helixtrans-63.8-42.4171.7-85.6161.4000112F71 E73 S79 A102F71-L75 HydrophobicContact CD1-CD1 4.09Å; F71-L75 HydrophobicContact CE1-CD1 3.65Å; F71-L75 HydrophobicContact CZ-CD1 4.05Å; F71-L75 PolarHBondContact O-N 3.28Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 3.23Å; L75-S79 PolarHBondContact O-N 3.19Å; L75-S79 PolarHBondContact O-OG 3.5Å; L75-A102 HydrophobicContact CD1-CB 4.27Å
76K66.8Low58.2Low130 Ų130110.6 Ų110.657%0.56557%0.571SS**Hα-helixtrans-67.1-35.6175.6-71.3172.7-178.9179.40112.8M72 E73 S79 Q80M72-K76 WeakPolarHBondContact O-CG 3.27Å; M72-K76 PolarHBondContact O-N 2.94Å; M72-K76 VanDerWaalsContact O-N 3.11Å; E73-K76 CarbonylContact O-C 3.58Å; E73-K76 WeakPolarHBondContact O-CB 3.48Å; E73-K76 PolarHBondContact O-N 3.49Å; E73-K76 VanDerWaalsContact O-N 3.15Å; K76-S79 VanDerWaalsContact C-OG 3.29Å; K76-S79 WeakPolarHBondContact CA-OG 3.4Å; K76-S79 PolarHBondContact O-OG 3.38Å; K76-Q80 VanDerWaalsContact O-CG 3.3Å; K76-Q80 WeakPolarHBondContact O-CG 3.47Å; K76-Q80 PolarHBondContact O-N 3.16Å
77Q65.6Low57.3Low106 Ų106110.8 Ų110.850%0.49558%0.581SS.*Hα-helixtrans-80.3-35.2178.5-73173.916.800111.5E73 Y74 S79 Q80 A81E73-Q77 VanDerWaalsContact O-CB 3.3Å; E73-Q77 WeakPolarHBondContact O-CB 3.46Å; E73-Q77 VanDerWaalsContact O-CG 3.26Å; E73-Q77 WeakPolarHBondContact O-CG 3.4Å; E73-Q77 PolarHBondContact O-N 3.31Å; Y74-Q77 PolarHBondContact O-N 3.5Å; Q77-S79 VanDerWaalsContact C-N 3.31Å; Q77-Q80 CarbonylContact O-C 3.56Å; Q77-Q80 WeakPolarHBondContact O-CA 3.45Å; Q77-Q80 WeakPolarHBondContact O-CB 3.49Å; Q77-Q80 PolarHBondContact O-N 2.88Å; Q77-A81 VanDerWaalsContact O-CB 3.29Å; Q77-A81 WeakPolarHBondContact O-CB 3.27Å; Q77-A81 PolarHBondContact O-N 3.01Å
78A61.7Low56.8Low46 Ų46112.6 Ų112.638%0.3859%0.59SS.*Hα-helixtrans-69.5-29.4174.100000111.8Y74 Q80Y74-A78 WeakPolarHBondContact O-CA 3.44Å; Y74-A78 WeakPolarHBondContact O-CB 3.3Å; Y74-A78 PolarHBondContact O-N 3.45Å; A78-Q80 PolarHBondContact O-N 2.69Å
79S54.7Low56.3Low44 Ų44114.2 Ų114.231%0.30859%0.59SS.*THydrogen-bonded Turntrans-68.2-21.2165580000113.4L75 K76 Q77L75-S79 PolarHBondContact O-N 3.19Å; L75-S79 PolarHBondContact O-OG 3.5Å; K76-S79 VanDerWaalsContact C-OG 3.29Å; K76-S79 WeakPolarHBondContact CA-OG 3.4Å; K76-S79 PolarHBondContact O-OG 3.38Å; Q77-S79 VanDerWaalsContact C-N 3.31Å
80Q52.5Low55.6Low154 Ų154110.4 Ų110.472%0.7258%0.578SS**THydrogen-bonded Turntrans-95.5-23.2177.5-71.2172.5-4.600113.2K76 Q77 A78K76-Q80 VanDerWaalsContact O-CG 3.3Å; K76-Q80 WeakPolarHBondContact O-CG 3.47Å; K76-Q80 PolarHBondContact O-N 3.16Å; Q77-Q80 CarbonylContact O-C 3.56Å; Q77-Q80 WeakPolarHBondContact O-CA 3.45Å; Q77-Q80 WeakPolarHBondContact O-CB 3.49Å; Q77-Q80 PolarHBondContact O-N 2.88Å; A78-Q80 PolarHBondContact O-N 2.69Å
81A52.5Low55Low60 Ų60114.4 Ų114.450%0.49660%0.596SS.*SBendtrans-125.1100.4-171.100000111Q77Q77-A81 VanDerWaalsContact O-CB 3.29Å; Q77-A81 WeakPolarHBondContact O-CB 3.27Å; Q77-A81 PolarHBondContact O-N 3.01Å
82V45.1Very low55.3Low118 Ų118109.6 Ų109.672%0.71558%0.578SS**  trans93.996.9154.2-165.30000117.5
83R39.9Very low56Low213 Ų213110.1 Ų110.180%0.80459%0.587SS**  -125.9138117.1-68.3-65.1175.7147.8-0.9109.6G85R83-G85 PolarHBondContact O-N 2.96Å
84K41.7Very low56.5Low202 Ų202111.1 Ų111.188%0.87859%0.592SS**THydrogen-bonded Turntrans-54.2113.8-176.6-68168.8172.71790111E86K84-E86 PolarHBondContact O-N 2.79Å
85G46.4Very low56.9Low89 Ų89105.7 Ų105.792%0.91857%0.574SS**THydrogen-bonded Turntrans80.2-3.9157.600000118.4R83R83-G85 PolarHBondContact O-N 2.96Å
86E44Very low57.5Low166 Ų166110.2 Ų110.278%0.77659%0.588SS**  trans-133.3123.2175.2-124.9173.6170.100109.8K84 I88K84-E86 PolarHBondContact O-N 2.79Å; E86-I88 PolarHBondContact O-N 2.98Å; E86-I88 VanDerWaalsContact O-N 3.09Å
87V43.3Very low58.5Low136 Ų136110.6 Ų110.682%0.82459%0.592SS**  trans-75.196.8-177.9-172.50000107.8E89V87-E89 PolarHBondContact O-N 2.85Å
88I50Low59.3Low103 Ų103111.8 Ų111.853%0.52860%0.598SS.*  trans-76.9109158.8-56.3176.2000104.9E86 A90E86-I88 PolarHBondContact O-N 2.98Å; E86-I88 VanDerWaalsContact O-N 3.09Å; I88-A90 PolarHBondContact O-N 3.46Å
89E48.8Very low60.3Low146 Ų146112.2 Ų112.268%0.68260%0.595SS**  trans-49.3139.7176.6-83.8177.5146.800110.3V87 D91 S92V87-E89 PolarHBondContact O-N 2.85Å; E89-D91 PolarHBondContact O-N 3.39Å; E89-S92 WeakPolarHBondContact O-CB 3.31Å; E89-S92 PolarHBondContact O-N 3.05Å
90A50.4Low61.8Low65 Ų65112.7 Ų112.754%0.53760%0.602SS.*THydrogen-bonded Turntrans-56.3-9.9175.300000113.6I88I88-A90 PolarHBondContact O-N 3.46Å
91D56Low63.5Low101 Ų101108.5 Ų108.554%0.5459%0.587SS.*THydrogen-bonded Turntrans-105.911.2178.4-89-24.9000114.6E89 R96E89-D91 PolarHBondContact O-N 3.39Å; D91-R96 PolarHBondContact O-NE 3.26Å; D91-R96 IonicContact OD1-CZ 3.29Å; D91-R96 VanDerWaalsContact OD1-CZ 3.29Å; D91-R96 IonicContact OD1-NE 3.16Å; D91-R96 PolarHBondContact OD1-NE 2.93Å; D91-R96 VanDerWaalsContact OD1-NE 3.16Å; D91-R96 IonicContact OD1-NH2 2.69Å; D91-R96 PolarHBondContact OD1-NH2 3.11Å; D91-R96 IonicContact OD2-NH2 3.19Å; D91-R96 PolarHBondContact OD2-NH2 3.05Å
92S74.1Confident65Low23 Ų23107 Ų10716%0.16158%0.575CS.*  trans-54.2134.6172.7173.50000110.7E89 E94 V95 R96E89-S92 WeakPolarHBondContact O-CB 3.31Å; E89-S92 PolarHBondContact O-N 3.05Å; S92-E94 PolarHBondContact O-N 3.43Å; S92-E94 VanDerWaalsContact O-N 3.12Å; S92-V95 PolarHBondContact O-N 3.46Å; S92-R96 PolarHBondContact O-N 2.73Å
93P78.7Confident67Low93 Ų93105.2 Ų105.260%0.60456%0.56SS**Hα-helixtrans-57.2-29.7-177.722.2-33.4000112.8R96 E97P93-R96 PolarHBondContact O-N 3.27Å; P93-E97 WeakPolarHBondContact O-CB 3.38Å; P93-E97 WeakPolarHBondContact O-CG 3.39Å; P93-E97 PolarHBondContact O-N 3.4Å
94E78.2Confident69.3Low140 Ų14099.9 Ų99.965%0.65454%0.543SS*.Hα-helixtrans-68.8-43.1-179.6-61.6-177.5172.500112.4S92 R96 E97 E98S92-E94 PolarHBondContact O-N 3.43Å; S92-E94 VanDerWaalsContact O-N 3.12Å; E94-R96 VanDerWaalsContact C-N 3.33Å; E94-R96 PolarHBondContact O-N 3.28Å; E94-E97 WeakPolarHBondContact O-CB 3.46Å; E94-E97 PolarHBondContact O-N 2.87Å; E94-E98 WeakPolarHBondContact O-CG 3.34Å; E94-E98 PolarHBondContact O-N 3.26Å
95V78Confident71.4Confident38 Ų3896.5 Ų96.523%0.2353%0.528CS..Hα-helixtrans-67.3-38.8177.3-179.40000110.3S92 E98 V99S92-V95 PolarHBondContact O-N 3.46Å; V95-E98 PolarHBondContact O-N 3.17Å; V95-V99 HydrophobicContact CG1-CG2 4.45Å; V95-V99 WeakPolarHBondContact O-CB 3.47Å; V95-V99 VanDerWaalsContact O-CG2 3.27Å; V95-V99 WeakPolarHBondContact O-CG2 3.47Å; V95-V99 PolarHBondContact O-N 2.9Å
96R79.3Confident73.2Confident141 Ų14194.9 Ų94.953%0.53250%0.499SS..Hα-helixtrans-62.6-41.9174.9-70.2174.1168.3-175.5-2.9111.7D91 S92 P93 E94 A100D91-R96 PolarHBondContact O-NE 3.26Å; D91-R96 IonicContact OD1-CZ 3.29Å; D91-R96 VanDerWaalsContact OD1-CZ 3.29Å; D91-R96 IonicContact OD1-NE 3.16Å; D91-R96 PolarHBondContact OD1-NE 2.93Å; D91-R96 VanDerWaalsContact OD1-NE 3.16Å; D91-R96 IonicContact OD1-NH2 2.69Å; D91-R96 PolarHBondContact OD1-NH2 3.11Å; D91-R96 IonicContact OD2-NH2 3.19Å; D91-R96 PolarHBondContact OD2-NH2 3.05Å; S92-R96 PolarHBondContact O-N 2.73Å; P93-R96 PolarHBondContact O-N 3.27Å; E94-R96 VanDerWaalsContact C-N 3.33Å; E94-R96 PolarHBondContact O-N 3.28Å; R96-A100 VanDerWaalsContact O-CB 3.27Å; R96-A100 WeakPolarHBondContact O-CB 3.04Å; R96-A100 PolarHBondContact O-N 3.38Å
97E86.9Confident75.2Confident139 Ų13994.7 Ų94.765%0.6549%0.491SS*.Hα-helixtrans-61.9-47.5173.6-83.6-97.3137.900112P93 E94 V99 A100 V101P93-E97 WeakPolarHBondContact O-CB 3.38Å; P93-E97 WeakPolarHBondContact O-CG 3.39Å; P93-E97 PolarHBondContact O-N 3.4Å; E94-E97 WeakPolarHBondContact O-CB 3.46Å; E94-E97 PolarHBondContact O-N 2.87Å; E97-V99 PolarHBondContact O-N 3.35Å; E97-A100 PolarHBondContact O-N 2.9Å; E97-V101 WeakPolarHBondContact O-CG2 3.46Å; E97-V101 PolarHBondContact O-N 2.9Å
98E83.6Confident77.4Confident131 Ų13194.3 Ų94.361%0.61248%0.475SS*.Hα-helixtrans-61.8-45.2178.9-74.3-171.4173.200112.5E94 V95 A100 V101 A102E94-E98 WeakPolarHBondContact O-CG 3.34Å; E94-E98 PolarHBondContact O-N 3.26Å; V95-E98 PolarHBondContact O-N 3.17Å; E98-A100 VanDerWaalsContact C-N 3.34Å; E98-A100 PolarHBondContact O-N 3.12Å; E98-V101 PolarHBondContact O-N 2.84Å; E98-A102 WeakPolarHBondContact O-CB 3.3Å; E98-A102 PolarHBondContact O-N 2.72Å
99V82.9Confident79.1Confident54 Ų5497.1 Ų97.133%0.32748%0.478SS..Hα-helixtrans-62.7-42.1175.3173.20000110.4V95 E97 V101 A102 L103V95-V99 HydrophobicContact CG1-CG2 4.45Å; V95-V99 WeakPolarHBondContact O-CB 3.47Å; V95-V99 VanDerWaalsContact O-CG2 3.27Å; V95-V99 WeakPolarHBondContact O-CG2 3.47Å; V95-V99 PolarHBondContact O-N 2.9Å; E97-V99 PolarHBondContact O-N 3.35Å; V99-V101 PolarHBondContact O-N 2.99Å; V99-A102 PolarHBondContact O-N 3.15Å; V99-L103 HydrophobicContact CG1-CD1 4.07Å; V99-L103 HydrophobicContact CG1-CG 4.38Å; V99-L103 WeakPolarHBondContact O-CG 3.38Å; V99-L103 PolarHBondContact O-N 3.11Å
100A86.6Confident80.9Confident55 Ų5592 Ų9246%0.45545%0.454SS..Hα-helixtrans-62.5-40.5176.300000112.2R96 E97 E98 K104R96-A100 VanDerWaalsContact O-CB 3.27Å; R96-A100 WeakPolarHBondContact O-CB 3.04Å; R96-A100 PolarHBondContact O-N 3.38Å; E97-A100 PolarHBondContact O-N 2.9Å; E98-A100 VanDerWaalsContact C-N 3.34Å; E98-A100 PolarHBondContact O-N 3.12Å; A100-K104 VanDerWaalsContact O-CB 3.3Å; A100-K104 WeakPolarHBondContact O-CB 3.35Å; A100-K104 PolarHBondContact O-N 3.37Å
101V87.9Confident82.9Confident66 Ų6690.2 Ų90.240%0.444%0.443SS..Hα-helixtrans-65.2-41.3174.81720000111.1E97 E98 V99 K104 K105E97-V101 WeakPolarHBondContact O-CG2 3.46Å; E97-V101 PolarHBondContact O-N 2.9Å; E98-V101 PolarHBondContact O-N 2.84Å; V99-V101 PolarHBondContact O-N 2.99Å; V101-K104 PolarHBondContact O-N 3.47Å; V101-K105 HydrophobicContact CG1-CD 4.31Å; V101-K105 WeakPolarHBondContact O-CG 3.29Å; V101-K105 PolarHBondContact O-N 3.42Å
102A83.3Confident84.7Confident29 Ų2991.6 Ų91.624%0.2444%0.441CS..Hα-helixtrans-61.9-49.2176.200000111.6L75 E98 V99 K104 K105 D106L75-A102 HydrophobicContact CD1-CB 4.27Å; E98-A102 WeakPolarHBondContact O-CB 3.3Å; E98-A102 PolarHBondContact O-N 2.72Å; V99-A102 PolarHBondContact O-N 3.15Å; A102-K104 VanDerWaalsContact C-N 3.31Å; A102-K104 PolarHBondContact O-N 3.26Å; A102-K105 WeakPolarHBondContact O-CB 3.2Å; A102-K105 PolarHBondContact O-N 2.71Å; A102-K105 VanDerWaalsContact O-N 3.12Å; A102-D106 PolarHBondContact O-N 3.44Å
103L86.6Confident85.5Confident79 Ų7992.9 Ų92.941%0.41444%0.442SS..Hα-helixtrans-61-38.2175.8-69.5174.2000112.2M72 V99 D106 R107M72-L103 HydrophobicContact CE-CD2 3.68Å; M72-L103 HydrophobicContact SD-CD2 4.45Å; V99-L103 HydrophobicContact CG1-CD1 4.07Å; V99-L103 HydrophobicContact CG1-CG 4.38Å; V99-L103 WeakPolarHBondContact O-CG 3.38Å; V99-L103 PolarHBondContact O-N 3.11Å; L103-D106 PolarHBondContact O-N 2.93Å; L103-R107 WeakPolarHBondContact O-CB 3.3Å; L103-R107 PolarHBondContact O-N 2.69Å
104K88.9Confident86.2Confident101 Ų10193.3 Ų93.344%0.43944%0.438SS..Hα-helixtrans-66.2-37.9175.4-167.7176.3-170.7173.20111.8A100 V101 A102 R108A100-K104 VanDerWaalsContact O-CB 3.3Å; A100-K104 WeakPolarHBondContact O-CB 3.35Å; A100-K104 PolarHBondContact O-N 3.37Å; V101-K104 PolarHBondContact O-N 3.47Å; A102-K104 VanDerWaalsContact C-N 3.31Å; A102-K104 PolarHBondContact O-N 3.26Å; K104-R108 VanDerWaalsContact O-CG 3.31Å; K104-R108 WeakPolarHBondContact O-CG 3.43Å; K104-R108 PolarHBondContact O-N 3.2Å
105K85.8Confident86.9Confident131 Ų13194 Ų9457%0.5744%0.439SS*.Hα-helixtrans-68.1-40.8174.4-75.7174.5-179.31720111.3V101 A102 R108 R109V101-K105 HydrophobicContact CG1-CD 4.31Å; V101-K105 WeakPolarHBondContact O-CG 3.29Å; V101-K105 PolarHBondContact O-N 3.42Å; A102-K105 WeakPolarHBondContact O-CB 3.2Å; A102-K105 PolarHBondContact O-N 2.71Å; A102-K105 VanDerWaalsContact O-N 3.12Å; K105-R108 PolarHBondContact O-N 3.46Å; K105-R109 PolarHBondContact O-N 3Å
106D83.3Confident87.6Confident56 Ų56100 Ų10030%0.29946%0.458SS..Hα-helixtrans-67.5-46.6178.9-167.557.2000112A102 L103 R108 R109 E110A102-D106 PolarHBondContact O-N 3.44Å; L103-D106 PolarHBondContact O-N 2.93Å; D106-R108 PolarHBondContact O-N 3.14Å; D106-R108 VanDerWaalsContact O-N 3.17Å; D106-R109 CarbonylContact O-C 3.49Å; D106-R109 WeakPolarHBondContact O-CA 3.31Å; D106-R109 WeakPolarHBondContact O-CB 3.3Å; D106-R109 PolarHBondContact O-N 3.26Å; D106-E110 PolarHBondContact O-N 3.5Å
107R87.6Confident88.1Confident162 Ų16296.9 Ų96.961%0.61145%0.449SS*.Hα-helixtrans-54.7-38.9172.7-174.6173.166.5-113.79.2112.7L103 G111L103-R107 WeakPolarHBondContact O-CB 3.3Å; L103-R107 PolarHBondContact O-N 2.69Å; R107-G111 PolarHBondContact O-N 3.42Å
108R87.8Confident88.2Confident128 Ų12895.8 Ų95.848%0.48344%0.444SS..Hα-helixtrans-67.7-36.5174.3-73.3176.7-173134-14.1112.3K104 K105 D106 R112K104-R108 VanDerWaalsContact O-CG 3.31Å; K104-R108 WeakPolarHBondContact O-CG 3.43Å; K104-R108 PolarHBondContact O-N 3.2Å; K105-R108 PolarHBondContact O-N 3.46Å; D106-R108 PolarHBondContact O-N 3.14Å; D106-R108 VanDerWaalsContact O-N 3.17Å; R108-R112 WeakPolarHBondContact O-CG 3.4Å; R108-R112 PolarHBondContact O-N 3.49Å; R108-R112 VanDerWaalsContact O-N 3.11Å
109R87.3Confident88.5Confident161 Ų16192.4 Ų92.461%0.60844%0.438SS*.Hα-helixtrans-67.1-49.1177-177.1-175.8-70-178.4-1.3110.5K105 D106 R112 R113K105-R109 PolarHBondContact O-N 3Å; D106-R109 CarbonylContact O-C 3.49Å; D106-R109 WeakPolarHBondContact O-CA 3.31Å; D106-R109 WeakPolarHBondContact O-CB 3.3Å; D106-R109 PolarHBondContact O-N 3.26Å; R109-R112 PolarHBondContact O-N 3.04Å; R109-R113 PolarHBondContact O-N 3.34Å
110E86.1Confident88.9Confident38 Ų3896.6 Ų96.618%0.17845%0.452CS..Hα-helixtrans-64.1-40.1176.2-75.9-54.4106.300111.9N65 D106 R112 R113 L114N65-E110 VanDerWaalsContact CG-CD 3.41Å; N65-E110 WeakPolarHBondContact ND2-CG 3.47Å; N65-E110 PolarHBondContact ND2-OE1 3.33Å; D106-E110 PolarHBondContact O-N 3.5Å; E110-R112 VanDerWaalsContact C-N 3.33Å; E110-R112 PolarHBondContact O-N 3.02Å; E110-R113 WeakPolarHBondContact O-CA 3.5Å; E110-R113 WeakPolarHBondContact O-CB 3.15Å; E110-R113 PolarHBondContact O-N 3.21Å; E110-R113 WeakPolarHBondContact OE1-CD 3.36Å; E110-R113 IonicContact OE1-NH1 3.52Å; E110-R113 IonicContact OE2-CZ 3.92Å; E110-R113 IonicContact OE2-NH1 3.22Å; E110-R113 PolarHBondContact OE2-NH1 2.96Å; E110-L114 WeakPolarHBondContact O-CG 3.47Å; E110-L114 PolarHBondContact O-N 3.44Å
111G92.9Very high88.9Confident29 Ų29100.1 Ų100.130%0.29946%0.457SS..Hα-helixtrans-56.5-43.9172.400000112.9R107 R113 K115R107-G111 PolarHBondContact O-N 3.42Å; G111-R113 VanDerWaalsContact C-N 3.34Å; G111-R113 PolarHBondContact O-N 3.04Å; G111-K115 WeakPolarHBondContact O-CB 3.27Å; G111-K115 VanDerWaalsContact O-CG 3.3Å; G111-K115 WeakPolarHBondContact O-CG 3.32Å; G111-K115 PolarHBondContact O-N 3.23Å
112R93.1Very high88.9Confident130 Ų130101 Ų10149%0.49146%0.46SS..Hα-helixtrans-64.7-38.3174.3-74.5-174.9-66.3-107.20.5112.2R108 R109 E110 R116R108-R112 WeakPolarHBondContact O-CG 3.4Å; R108-R112 PolarHBondContact O-N 3.49Å; R108-R112 VanDerWaalsContact O-N 3.11Å; R109-R112 PolarHBondContact O-N 3.04Å; E110-R112 VanDerWaalsContact C-N 3.33Å; E110-R112 PolarHBondContact O-N 3.02Å; R112-R116 WeakPolarHBondContact O-CG 3.46Å; R112-R116 PolarHBondContact O-N 3.31Å
113R90.7Very high89.1Confident50 Ų50103.3 Ų103.319%0.18948%0.479CS..Hα-helixtrans-65.8-47.3179.1-179.3-177163.7-154-12.3111.2Y63 R109 E110 G111 R116 Q117Y63-R113 VanDerWaalsContact CB-NH2 3.32Å; Y63-R113 PolarHBondContact O-NH2 2.86Å; R109-R113 PolarHBondContact O-N 3.34Å; E110-R113 WeakPolarHBondContact O-CA 3.5Å; E110-R113 WeakPolarHBondContact O-CB 3.15Å; E110-R113 PolarHBondContact O-N 3.21Å; E110-R113 WeakPolarHBondContact OE1-CD 3.36Å; E110-R113 IonicContact OE1-NH1 3.52Å; E110-R113 IonicContact OE2-CZ 3.92Å; E110-R113 IonicContact OE2-NH1 3.22Å; E110-R113 PolarHBondContact OE2-NH1 2.96Å; G111-R113 VanDerWaalsContact C-N 3.34Å; G111-R113 PolarHBondContact O-N 3.04Å; R113-R116 PolarHBondContact O-N 3.26Å; R113-Q117 WeakPolarHBondContact O-CG 3.27Å; R113-Q117 PolarHBondContact O-N 2.93Å
114L92.6Very high89.1Confident101 Ų101104.4 Ų104.453%0.52948%0.483SS..Hα-helixtrans-60.5-46.5175.4-69.7175.8000111.1E110 R116 Q117 E118E110-L114 WeakPolarHBondContact O-CG 3.47Å; E110-L114 PolarHBondContact O-N 3.44Å; L114-R116 VanDerWaalsContact C-N 3.29Å; L114-R116 PolarHBondContact O-N 2.83Å; L114-Q117 WeakPolarHBondContact O-CB 3.32Å; L114-Q117 PolarHBondContact O-N 2.85Å; L114-E118 WeakPolarHBondContact O-CB 3.26Å; L114-E118 PolarHBondContact O-N 2.7Å
115K93.1Very high88.9Confident154 Ų154102.7 Ų102.767%0.6748%0.481SS*.Hα-helixtrans-55.9-40.7174.4-76.5-178.2-179.9-168.40113G111 A119G111-K115 WeakPolarHBondContact O-CB 3.27Å; G111-K115 VanDerWaalsContact O-CG 3.3Å; G111-K115 WeakPolarHBondContact O-CG 3.32Å; G111-K115 PolarHBondContact O-N 3.23Å; K115-A119 WeakPolarHBondContact O-CB 3.3Å; K115-A119 PolarHBondContact O-N 2.84Å
116R92.6Very high88.9Confident166 Ų16696.4 Ų96.463%0.62645%0.454SS*.Hα-helixtrans-67.7-38.6175.3-70.7-177.9-148.8128.7-4.1112.4R112 R113 L114 K120R112-R116 WeakPolarHBondContact O-CG 3.46Å; R112-R116 PolarHBondContact O-N 3.31Å; R113-R116 PolarHBondContact O-N 3.26Å; L114-R116 VanDerWaalsContact C-N 3.29Å; L114-R116 PolarHBondContact O-N 2.83Å; R116-K120 WeakPolarHBondContact O-CB 3.15Å; R116-K120 PolarHBondContact O-N 2.79Å
117Q89.9Confident88.7Confident75 Ų75101.3 Ų101.335%0.3547%0.473SS..Hα-helixtrans-65.7-45.6176.7-70.1-177.843.700111R113 L114 K120 K121R113-Q117 WeakPolarHBondContact O-CG 3.27Å; R113-Q117 PolarHBondContact O-N 2.93Å; L114-Q117 WeakPolarHBondContact O-CB 3.32Å; L114-Q117 PolarHBondContact O-N 2.85Å; Q117-K120 PolarHBondContact O-N 3.26Å; Q117-K121 WeakPolarHBondContact O-CG 3.26Å; Q117-K121 PolarHBondContact O-N 2.74Å
118E90.2Very high88.2Confident116 Ų11696 Ų9654%0.54245%0.454SS..Hα-helixtrans-64.2-46.4176.8-177.9162.3-149.900111.4L114 K120 K121 N122L114-E118 WeakPolarHBondContact O-CB 3.26Å; L114-E118 PolarHBondContact O-N 2.7Å; E118-K120 PolarHBondContact O-N 3.25Å; E118-K121 PolarHBondContact O-N 3.28Å; E118-K121 VanDerWaalsContact O-N 3.09Å; E118-N122 WeakPolarHBondContact CG-ND2 3.41Å; E118-N122 WeakPolarHBondContact O-CB 3.32Å; E118-N122 VanDerWaalsContact O-CG 3.25Å; E118-N122 PolarHBondContact O-N 2.7Å
119A90.3Very high87.8Confident59 Ų5992.6 Ų92.649%0.48845%0.45SS..Hα-helixtrans-57.4-39.1173.400000112K115 A123K115-A119 WeakPolarHBondContact O-CB 3.3Å; K115-A119 PolarHBondContact O-N 2.84Å; A119-A123 WeakPolarHBondContact O-CB 3.09Å; A119-A123 PolarHBondContact O-N 3.21Å
120K89.6Confident87.5Confident143 Ų14389.1 Ų89.162%0.62244%0.437SS*.Hα-helixtrans-69.4-37.2176.2-177.3168.4-179.8158.70112.8R116 Q117 E118 M124R116-K120 WeakPolarHBondContact O-CB 3.15Å; R116-K120 PolarHBondContact O-N 2.79Å; Q117-K120 PolarHBondContact O-N 3.26Å; E118-K120 PolarHBondContact O-N 3.25Å; K120-M124 PolarHBondContact O-N 3.29Å
121K87.3Confident87.4Confident129 Ų12988.2 Ų88.256%0.56144%0.438SS*.Hα-helixtrans-69-46.4174.9-72.9179.1-179.2-178.50110.6Q117 E118 A123 M124 G133Q117-K121 WeakPolarHBondContact O-CG 3.26Å; Q117-K121 PolarHBondContact O-N 2.74Å; E118-K121 PolarHBondContact O-N 3.28Å; E118-K121 VanDerWaalsContact O-N 3.09Å; K121-A123 VanDerWaalsContact C-N 3.34Å; K121-A123 PolarHBondContact O-N 3.2Å; K121-M124 VanDerWaalsContact O-CB 3.26Å; K121-M124 WeakPolarHBondContact O-CB 3.45Å; K121-M124 PolarHBondContact O-N 3.33Å; K121-G133 VanDerWaalsContact O-CA 3.24Å; K121-G133 WeakPolarHBondContact O-CA 3.35Å; K121-G133 PolarHBondContact O-N 2.76Å
122N88.4Confident87.1Confident84 Ų8491.2 Ų91.245%0.44945%0.452SS..Hα-helixtrans-68.5-32.5179.7-65.5-6000112.2E118 M124 P132E118-N122 WeakPolarHBondContact CG-ND2 3.41Å; E118-N122 WeakPolarHBondContact O-CB 3.32Å; E118-N122 VanDerWaalsContact O-CG 3.25Å; E118-N122 PolarHBondContact O-N 2.7Å; N122-M124 VanDerWaalsContact C-N 3.26Å; N122-M124 PolarHBondContact O-N 3.41Å; N122-P132 VanDerWaalsContact O-CB 3.25Å; N122-P132 WeakPolarHBondContact O-CB 3.22Å
123A87.9Confident86.9Confident78 Ų7886.8 Ų86.865%0.64545%0.447SS*.THydrogen-bonded Turntrans-72.5-16.8171.700000113.4A119 K121 V125A119-A123 WeakPolarHBondContact O-CB 3.09Å; A119-A123 PolarHBondContact O-N 3.21Å; K121-A123 VanDerWaalsContact C-N 3.34Å; K121-A123 PolarHBondContact O-N 3.2Å; A123-V125 PolarHBondContact O-N 3.14Å
124M85.5Confident86.8Confident101 Ų10186 Ų8650%0.49845%0.446SS..  trans-74.8121.8172.1-178174.9-71.200108.7K120 K121 N122 P132 G133K120-M124 PolarHBondContact O-N 3.29Å; K121-M124 VanDerWaalsContact O-CB 3.26Å; K121-M124 WeakPolarHBondContact O-CB 3.45Å; K121-M124 PolarHBondContact O-N 3.33Å; N122-M124 VanDerWaalsContact C-N 3.26Å; N122-M124 PolarHBondContact O-N 3.41Å; M124-P132 CarbonylContact O-C 3.54Å; M124-P132 WeakPolarHBondContact O-CA 3.46Å; M124-G133 PolarHBondContact O-N 3.09Å
125V85.9Confident86.4Confident65 Ų6582 Ų8239%0.39443%0.428SS..BIsolated β-bridgetrans-109.8135.4179.7178.70000109.4A123 R130 H134A123-V125 PolarHBondContact O-N 3.14Å; V125-R130 HydrophobicContact CG1-CB 4.31Å; V125-R130 WeakPolarHBondContact CG1-O 3.45Å; V125-H134 CarbonylContact C-O 3.53Å
126C84.9Confident85.8Confident0 Ų077 Ų770%041%0.409CS..  trans-72.3130176.6177.90000111.1H128 C129 R130 G131 H134 C139C126-H128 PolarHBondContact O-N 3.04Å; C126-H128 PolarHBondContact SG-N 3Å; C126-C129 VanDerWaalsContact SG-SG 3.67Å; C126-R130 WeakPolarHBondContact O-CA 3.41Å; C126-R130 PolarHBondContact O-N 3.26Å; C126-G131 PolarHBondContact N-O 2.83Å; C126-H134 WeakPolarHBondContact CA-O 3.41Å; C126-H134 WeakPolarHBondContact CB-NE2 3.23Å; C126-H134 WeakPolarHBondContact CB-O 3.19Å; C126-H134 PolarHBondContact N-O 2.81Å; C126-H134 VanDerWaalsContact N-O 3.16Å; C126-C139 VanDerWaalsContact SG-CB 3.58Å; C126-C139 PolarHBondContact SG-SG 2.95Å
127F78.3Confident85.3Confident159 Ų15973.5 Ų73.570%0.69742%0.415SS*.THydrogen-bonded Turntrans-70.3-19.3-180-64.6-68.5000114.2I136F127-I136 HydrophobicContact CB-CD1 4.29Å
128H77.3Confident84.9Confident49 Ų4976 Ų7623%0.22743%0.43CS..THydrogen-bonded Turntrans-85.4-62.8-179.9-170.770.5000111.5C126 I136 V142 F183C126-H128 PolarHBondContact O-N 3.04Å; C126-H128 PolarHBondContact SG-N 3Å; H128-I136 HydrophobicContact CB-CD1 4.19Å; H128-I136 HydrophobicContact CB-CG1 4.24Å; H128-V142 HydrophobicContact CB-CG2 4.05Å; H128-F183 AromaticContact ND1-CD1 3.78Å
129C80.1Confident84.6Confident58 Ų5870.8 Ų70.839%0.39241%0.407SS..THydrogen-bonded Turntrans-92.4-5.7-177.6670000114.3C126 G131 H134C126-C129 VanDerWaalsContact SG-SG 3.67Å; C129-G131 PolarHBondContact O-N 3.25Å; C129-G131 PolarHBondContact SG-N 2.86Å; C129-H134 PolarHBondContact SG-CE1 3.27Å; C129-H134 PolarHBondContact SG-NE2 3.25Å
130R79.8Confident84.2Confident88 Ų8872.5 Ų72.533%0.33241%0.413SS..  trans55.217.1-173.2-59.5-170.2-178.7-153.44.2115V125 C126 Y203 A204V125-R130 HydrophobicContact CG1-CB 4.31Å; V125-R130 WeakPolarHBondContact CG1-O 3.45Å; C126-R130 WeakPolarHBondContact O-CA 3.41Å; C126-R130 PolarHBondContact O-N 3.26Å; R130-Y203 PolarHBondContact NH1-O 3.28Å; R130-A204 PolarHBondContact NH1-O 3.32Å
131G84Confident83.5Confident19 Ų1967.5 Ų67.520%0.19640%0.398CS..  trans-75.3142.6172.400000112.1C126 C129C126-G131 PolarHBondContact N-O 2.83Å; C129-G131 PolarHBondContact O-N 3.25Å; C129-G131 PolarHBondContact SG-N 2.86Å
132P88.3Confident82.5Confident91 Ų9162.5 Ų62.559%0.59138%0.378SS*.BIsolated β-bridgetrans-72.1163173.130.4-34000111.8N122 M124 H134N122-P132 VanDerWaalsContact O-CB 3.25Å; N122-P132 WeakPolarHBondContact O-CB 3.22Å; M124-P132 CarbonylContact O-C 3.54Å; M124-P132 WeakPolarHBondContact O-CA 3.46Å; P132-H134 PolarHBondContact O-ND1 3.02Å
133G88Confident81.2Confident38 Ų3865.5 Ų65.539%0.39239%0.393SS..THydrogen-bonded Turntrans95.5-14.2168.800000115.9K121 M124K121-G133 VanDerWaalsContact O-CA 3.24Å; K121-G133 WeakPolarHBondContact O-CA 3.35Å; K121-G133 PolarHBondContact O-N 2.76Å; M124-G133 PolarHBondContact O-N 3.09Å
134H88.4Confident80Confident34 Ų3470.2 Ų70.216%0.15740%0.402CS..  trans-147.2157.8-174.967.3-81.6000113.2V125 C126 C129 P132 D138 C139V125-H134 CarbonylContact C-O 3.53Å; C126-H134 WeakPolarHBondContact CA-O 3.41Å; C126-H134 WeakPolarHBondContact CB-NE2 3.23Å; C126-H134 WeakPolarHBondContact CB-O 3.19Å; C126-H134 PolarHBondContact N-O 2.81Å; C126-H134 VanDerWaalsContact N-O 3.16Å; C129-H134 PolarHBondContact SG-CE1 3.27Å; C129-H134 PolarHBondContact SG-NE2 3.25Å; P132-H134 PolarHBondContact O-ND1 3.02Å; H134-D138 HydrophobicContact CB-CB 4.28Å; H134-C139 WeakPolarHBondContact CD2-CA 3.13Å
135G84.9Confident78.9Confident16 Ų1667.2 Ų67.217%0.16539%0.391CS..  trans-95175.6174.100000112.3A137 D138 C139G135-A137 PolarHBondContact O-N 3.35Å; G135-D138 CarbonylContact O-C 3.38Å; G135-D138 PolarHBondContact O-N 3.24Å; G135-D138 VanDerWaalsContact O-N 3.08Å; G135-C139 PolarHBondContact O-N 2.85Å
136I79.6Confident77.7Confident50 Ų5072.1 Ų72.126%0.25641%0.41SS..G310 helixtrans-60.1-29.7-177.9-162.7153.3000113.8F127 H128 C139 F183F127-I136 HydrophobicContact CB-CD1 4.29Å; H128-I136 HydrophobicContact CB-CD1 4.19Å; H128-I136 HydrophobicContact CB-CG1 4.24Å; I136-C139 WeakPolarHBondContact O-CB 3.05Å; I136-F183 HydrophobicContact CD1-CE1 3.94Å; I136-F183 HydrophobicContact CD1-CZ 3.81Å
137A81.5Confident76.5Confident91 Ų9178 Ų7875%0.75244%0.442SS*.G310 helixtrans-73.2-28.7178.400000113.3G135G135-A137 PolarHBondContact O-N 3.35Å
138D83.5Confident75.7Confident128 Ų12873.1 Ų73.168%0.68442%0.421SS*.G310 helixtrans-105.220.3-178.5-54.8-48.6000110.6H134 G135 P140H134-D138 HydrophobicContact CB-CB 4.28Å; G135-D138 CarbonylContact O-C 3.38Å; G135-D138 PolarHBondContact O-N 3.24Å; G135-D138 VanDerWaalsContact O-N 3.08Å; D138-P140 WeakPolarHBondContact O-CD 3.29Å
139C83.4Confident75Confident7 Ų772 Ų725%0.04742%0.423CS..  trans-78.7120.1-177.4-174.30000110.6C126 H134 G135 I136 A141 V142C126-C139 VanDerWaalsContact SG-CB 3.58Å; C126-C139 PolarHBondContact SG-SG 2.95Å; H134-C139 WeakPolarHBondContact CD2-CA 3.13Å; G135-C139 PolarHBondContact O-N 2.85Å; I136-C139 WeakPolarHBondContact O-CB 3.05Å; C139-A141 PolarHBondContact O-N 2.69Å; C139-V142 HydrophobicContact CB-CB 4.06Å; C139-V142 HydrophobicContact CB-CG2 3.62Å; C139-V142 PolarHBondContact O-N 2.79Å; C139-V142 VanDerWaalsContact O-N 3.13Å
140P81.6Confident74.4Confident95 Ų9573.8 Ų73.862%0.61743%0.432SS*.G310 helixtrans-61.9-34.1-179.824.9-32.8000111.8D138 V142 L143D138-P140 WeakPolarHBondContact O-CD 3.29Å; P140-V142 VanDerWaalsContact C-N 3.32Å; P140-V142 PolarHBondContact O-N 3Å; P140-L143 WeakPolarHBondContact O-CB 3.35Å; P140-L143 PolarHBondContact O-N 3.22Å
141A74.1Confident74.2Confident37 Ų3772 Ų7231%0.30644%0.442SS..G310 helixtrans-69.6-25.8178.900000113.7C139 L143 E144C139-A141 PolarHBondContact O-N 2.69Å; A141-L143 VanDerWaalsContact C-N 3.27Å; A141-L143 PolarHBondContact O-N 3.27Å; A141-E144 PolarHBondContact O-N 2.82Å
142V66.2Low74.4Confident24 Ų2473.3 Ų73.315%0.14544%0.444CS..G310 helixtrans-73.7-23.8179.6172.80000111.4H128 C139 P140 E144 S145 T150H128-V142 HydrophobicContact CB-CG2 4.05Å; C139-V142 HydrophobicContact CB-CB 4.06Å; C139-V142 HydrophobicContact CB-CG2 3.62Å; C139-V142 PolarHBondContact O-N 2.79Å; C139-V142 VanDerWaalsContact O-N 3.13Å; P140-V142 VanDerWaalsContact C-N 3.32Å; P140-V142 PolarHBondContact O-N 3Å; V142-E144 PolarHBondContact O-N 3.13Å; V142-S145 CarbonylContact O-C 3.59Å; V142-S145 PolarHBondContact O-N 3.08Å; V142-T150 HydrophobicContact CG1-CG2 4.07Å
143L62.3Low74.4Confident147 Ų14769 Ų6977%0.7742%0.416SS*.G310 helixtrans-66.2-24.7176.7-153.174.4000112.2P140 A141P140-L143 WeakPolarHBondContact O-CB 3.35Å; P140-L143 PolarHBondContact O-N 3.22Å; A141-L143 VanDerWaalsContact C-N 3.27Å; A141-L143 PolarHBondContact O-N 3.27Å
144E61.9Low74.4Confident177 Ų17770.4 Ų70.483%0.82741%0.41SS*.THydrogen-bonded Turntrans-90.2-23.9178.1-71.3173.2173.400112.7A141 V142A141-E144 PolarHBondContact O-N 2.82Å; V142-E144 PolarHBondContact O-N 3.13Å
145S63.5Low74.4Confident38 Ų3873.7 Ų73.727%0.26642%0.421SS..  trans-111.170.2-178.371.60000111.7V142 D147 M148V142-S145 CarbonylContact O-C 3.59Å; V142-S145 PolarHBondContact O-N 3.08Å; S145-D147 PolarHBondContact O-N 3.48Å; S145-M148 PolarHBondContact O-N 3.23Å
146Q59.2Low74.6Confident169 Ų16974.7 Ų74.779%0.7943%0.425SS*.THydrogen-bonded Turntrans-51.2-14.2-176.8-131.4105.610.800115.3
147D60.9Low74.9Confident124 Ų12473.5 Ų73.566%0.66343%0.425SS*.THydrogen-bonded Turntrans-91.50.4-168.2-62.4-41.8000115.4S145 G149 K181S145-D147 PolarHBondContact O-N 3.48Å; D147-G149 VanDerWaalsContact C-N 3.32Å; D147-G149 PolarHBondContact O-N 3.37Å; D147-K181 PolarHBondContact O-NZ 2.96Å
148M61.7Low75.2Confident55 Ų5570.7 Ų70.727%0.27140%0.4SS..SBendtrans-91.946.6-173.2-67.1-61.3-162.200113.8S145 T150 K181S145-M148 PolarHBondContact O-N 3.23Å; M148-T150 WeakPolarHBondContact O-CG2 3.49Å; M148-T150 PolarHBondContact O-N 3.22Å; M148-K181 HydrophobicContact SD-CB 4.42Å; M148-K181 HydrophobicContact SD-CD 3.99Å
149G62.2Low75.4Confident26 Ų2669.7 Ų69.727%0.26840%0.399SS..  trans36.742.4157.600000116.5D147 G151 I152D147-G149 VanDerWaalsContact C-N 3.32Å; D147-G149 PolarHBondContact O-N 3.37Å; G149-G151 PolarHBondContact O-N 2.75Å; G149-G151 VanDerWaalsContact O-N 3.1Å; G149-I152 WeakPolarHBondContact O-CG1 3.4Å; G149-I152 PolarHBondContact O-N 2.86Å
150T66.9Low75.7Confident95 Ų9577.9 Ų77.958%0.58344%0.436SS*.THydrogen-bonded Turntrans-73.8112.6-17551.80000107.9V142 M148V142-T150 HydrophobicContact CG1-CG2 4.07Å; M148-T150 WeakPolarHBondContact O-CG2 3.49Å; M148-T150 PolarHBondContact O-N 3.22Å
151G76.7Confident76Confident52 Ų5275.8 Ų75.854%0.53642%0.418SS..THydrogen-bonded Turntrans93.99.4-179.500000115.4G149 T159G149-G151 PolarHBondContact O-N 2.75Å; G149-G151 VanDerWaalsContact O-N 3.1Å; G151-T159 WeakPolarHBondContact O-CA 3.15Å
152I86.8Confident76.7Confident46 Ų4680.4 Ų80.424%0.23643%0.433CS..  trans-81.1143.6163.349.9155000111.1G149 Y154 G157 T159G149-I152 WeakPolarHBondContact O-CG1 3.4Å; G149-I152 PolarHBondContact O-N 2.86Å; I152-Y154 HydrophobicContact CG1-CE1 4.46Å; I152-Y154 PolarHBondContact O-N 3.04Å; I152-G157 WeakPolarHBondContact CG2-O 3.25Å; I152-T159 HydrophobicContact CG2-CG2 3.55Å
153C88.9Confident77.6Confident1 Ų181.5 Ų81.51%0.00744%0.438CS..  trans-68.3115.7168.1-176.90000109.3R155 C156 G157 S158 H161 C166C153-R155 PolarHBondContact O-N 3.43Å; C153-C156 PolarHBondContact O-N 3.46Å; C153-C156 VanDerWaalsContact SG-SG 3.62Å; C153-G157 VanDerWaalsContact O-CA 3.3Å; C153-G157 WeakPolarHBondContact O-CA 3.49Å; C153-G157 PolarHBondContact O-N 3.3Å; C153-S158 VanDerWaalsContact CB-O 3.3Å; C153-S158 WeakPolarHBondContact CB-O 3.44Å; C153-S158 PolarHBondContact N-O 3.09Å; C153-H161 WeakPolarHBondContact CB-O 3.35Å; C153-H161 PolarHBondContact SG-NE2 3.1Å; C153-C166 VanDerWaalsContact SG-CB 3.56Å
154Y87.9Confident78.9Confident66 Ų6679.8 Ų79.826%0.25943%0.434SS..THydrogen-bonded Turntrans-64-12.9-179.9-55.4-47.1000114.7I152 I163 F177 Y179 A180 L191I152-Y154 HydrophobicContact CG1-CE1 4.46Å; I152-Y154 PolarHBondContact O-N 3.04Å; Y154-I163 HydrophobicContact CD2-CD1 4.16Å; Y154-F177 CarbonylContact O-C 3.46Å; Y154-F177 WeakPolarHBondContact O-CA 3.36Å; Y154-Y179 PolarHBondContact O-N 3.16Å; Y154-A180 HydrophobicContact CD1-CB 4.19Å; Y154-A180 HydrophobicContact CG-CB 4.13Å; Y154-L191 HydrophobicContact CD2-CD2 4.27Å
155R88.5Confident80.2Confident104 Ų10478.4 Ų78.439%0.39243%0.425SS..THydrogen-bonded Turntrans-86.7-47.8178-89.2-179.2-172.5-150.61.5112.6C153 I163 C166 I170 F177 Y179C153-R155 PolarHBondContact O-N 3.43Å; R155-I163 HydrophobicContact CB-CG1 4.28Å; R155-I163 HydrophobicContact CG-CD1 4.1Å; R155-I163 HydrophobicContact CG-CG1 3.74Å; R155-C166 HydrophobicContact CB-CB 4.37Å; R155-I170 VanDerWaalsContact C-CD1 3.42Å; R155-I170 HydrophobicContact CB-CD1 3.43Å; R155-I170 VanDerWaalsContact CB-CD1 3.43Å; R155-I170 HydrophobicContact CG-CD1 3.91Å; R155-I170 WeakPolarHBondContact O-CD1 3.26Å; R155-I170 VanDerWaalsContact O-CG1 3.25Å; R155-I170 WeakPolarHBondContact O-CG1 3.43Å; R155-F177 HydrophobicContact CG-CD1 4.16Å; R155-F177 HydrophobicContact CG-CE1 4.31Å; R155-Y179 VanDerWaalsContact O-CD2 3.31Å; R155-Y179 WeakPolarHBondContact O-CD2 3.37Å; R155-Y179 VanDerWaalsContact O-CE2 3.31Å; R155-Y179 WeakPolarHBondContact O-CE2 3.03Å
156C88.5Confident81.4Confident36 Ų3677.4 Ų77.424%0.24342%0.418CS..THydrogen-bonded Turntrans-1264.8-173.265.30000115.1C153 S158 H161 A168 Y179C153-C156 PolarHBondContact O-N 3.46Å; C153-C156 VanDerWaalsContact SG-SG 3.62Å; C156-S158 PolarHBondContact O-N 2.9Å; C156-S158 VanDerWaalsContact O-N 3.11Å; C156-S158 PolarHBondContact SG-OG 3.45Å; C156-H161 VanDerWaalsContact SG-CE1 3.52Å; C156-H161 PolarHBondContact SG-NE2 2.99Å; C156-H161 VanDerWaalsContact SG-NE2 3.36Å; C156-A168 HydrophobicContact CB-CB 3.58Å; C156-Y179 VanDerWaalsContact CA-CE2 3.5Å
157G86.3Confident82.9Confident25 Ų2578.7 Ų78.726%0.25842%0.421SS..  trans74.6-5.7176.900000115.6I152 C153I152-G157 WeakPolarHBondContact CG2-O 3.25Å; C153-G157 VanDerWaalsContact O-CA 3.3Å; C153-G157 WeakPolarHBondContact O-CA 3.49Å; C153-G157 PolarHBondContact O-N 3.3Å
158S88.5Confident84Confident33 Ų3374.9 Ų74.923%0.23141%0.406CS..  trans-71.9141.1-179.2650000112.2C153 C156 E160 H161C153-S158 VanDerWaalsContact CB-O 3.3Å; C153-S158 WeakPolarHBondContact CB-O 3.44Å; C153-S158 PolarHBondContact N-O 3.09Å; C156-S158 PolarHBondContact O-N 2.9Å; C156-S158 VanDerWaalsContact O-N 3.11Å; C156-S158 PolarHBondContact SG-OG 3.45Å; S158-E160 VanDerWaalsContact C-N 3.32Å; S158-H161 PolarHBondContact OG-CE1 2.9Å; S158-H161 PolarHBondContact OG-ND1 2.91Å; S158-H161 PolarHBondContact OG-NE2 3.06Å
159T87.8Confident85Confident107 Ų10782.1 Ų82.166%0.65644%0.436SS*.THydrogen-bonded Turntrans-83.8-4.4175.551.90000114.2G151 I152G151-T159 WeakPolarHBondContact O-CA 3.15Å; I152-T159 HydrophobicContact CG2-CG2 3.55Å
160E88.7Confident85.8Confident179 Ų17983.4 Ų83.484%0.83644%0.436SS*.THydrogen-bonded Turntrans-81.3-21.6-171.3-60-170.8166.400113.8S158S158-E160 VanDerWaalsContact C-N 3.32Å
161H89.1Confident86.4Confident51 Ų5184.6 Ų84.624%0.23644%0.439CS..SBendtrans-147.4156.6-174.763.6-95.3000113.1C153 C156 S158 K165 C166C153-H161 WeakPolarHBondContact CB-O 3.35Å; C153-H161 PolarHBondContact SG-NE2 3.1Å; C156-H161 VanDerWaalsContact SG-CE1 3.52Å; C156-H161 PolarHBondContact SG-NE2 2.99Å; C156-H161 VanDerWaalsContact SG-NE2 3.36Å; S158-H161 PolarHBondContact OG-CE1 2.9Å; S158-H161 PolarHBondContact OG-ND1 2.91Å; S158-H161 PolarHBondContact OG-NE2 3.06Å; H161-K165 HydrophobicContact CB-CB 4.28Å; H161-C166 VanDerWaalsContact CD2-CA 3.41Å; H161-C166 WeakPolarHBondContact CD2-CA 3.49Å; H161-C166 VanDerWaalsContact NE2-CA 3.32Å; H161-C166 WeakPolarHBondContact NE2-CA 3.25Å; H161-C166 WeakPolarHBondContact NE2-CB 3.38Å; H161-C166 PolarHBondContact NE2-SG 3.37Å
162E87.7Confident86.3Confident133 Ų13388 Ų8862%0.62145%0.452SS*.  trans-82.6161.6171.4-66.9168-161.400111.2T164 K165 C166E162-T164 PolarHBondContact O-N 3.34Å; E162-K165 PolarHBondContact O-N 2.86Å; E162-C166 PolarHBondContact O-N 3.19Å
163I86.7Confident85.8Confident48 Ų4890.7 Ų90.725%0.24648%0.481CS..G310 helixtrans-52.4-31.4-177.5-148.6167.7000114.4Y154 R155 K165 C166 F177Y154-I163 HydrophobicContact CD2-CD1 4.16Å; R155-I163 HydrophobicContact CB-CG1 4.28Å; R155-I163 HydrophobicContact CG-CD1 4.1Å; R155-I163 HydrophobicContact CG-CG1 3.74Å; I163-K165 VanDerWaalsContact C-N 3.3Å; I163-K165 PolarHBondContact O-N 3.13Å; I163-C166 WeakPolarHBondContact O-CB 3.41Å; I163-C166 PolarHBondContact O-N 2.84Å; I163-F177 HydrophobicContact CD1-CD1 3.49Å; I163-F177 VanDerWaalsContact CD1-CD1 3.49Å; I163-F177 HydrophobicContact CD1-CE1 3.24Å; I163-F177 HydrophobicContact CD1-CZ 4.3Å; I163-F177 HydrophobicContact CG1-CE1 4.29Å
164T88.3Confident85Confident111 Ų11195 Ų9568%0.68151%0.507SS*.G310 helixtrans-70.2-26.5-179.554.70000112.9E162E162-T164 PolarHBondContact O-N 3.34Å
165K89.4Confident84.4Confident147 Ų14793.3 Ų93.364%0.63951%0.51SS*.G310 helixtrans-104.54.8-179.8-64.3172.1-172.6162.40111.9H161 E162 I163 K167H161-K165 HydrophobicContact CB-CB 4.28Å; E162-K165 PolarHBondContact O-N 2.86Å; I163-K165 VanDerWaalsContact C-N 3.3Å; I163-K165 PolarHBondContact O-N 3.13Å; K165-K167 PolarHBondContact O-N 2.87Å
166C89.8Confident84Confident18 Ų1891.6 Ų91.612%0.12252%0.518CS..  trans-71.2120.9178.9-170.80000110.8C153 R155 H161 E162 I163C153-C166 VanDerWaalsContact SG-CB 3.56Å; R155-C166 HydrophobicContact CB-CB 4.37Å; H161-C166 VanDerWaalsContact CD2-CA 3.41Å; H161-C166 WeakPolarHBondContact CD2-CA 3.49Å; H161-C166 VanDerWaalsContact NE2-CA 3.32Å; H161-C166 WeakPolarHBondContact NE2-CA 3.25Å; H161-C166 WeakPolarHBondContact NE2-CB 3.38Å; H161-C166 PolarHBondContact NE2-SG 3.37Å; E162-C166 PolarHBondContact O-N 3.19Å; I163-C166 WeakPolarHBondContact O-CB 3.41Å; I163-C166 PolarHBondContact O-N 2.84Å
167K89.2Confident83.8Confident196 Ų19692.2 Ų92.285%0.85252%0.516SS*.  trans-101.1-1.4175-61.7-174.1179.5-177.20113K165 K169K165-K167 PolarHBondContact O-N 2.87Å; K167-K169 PolarHBondContact O-N 3.29Å
168A85.4Confident83.9Confident43 Ų4392.2 Ų92.236%0.35551%0.512SS..  trans-65.5131.4178.600000109.5C156 I170C156-A168 HydrophobicContact CB-CB 3.58Å; A168-I170 HydrophobicContact CB-CD1 4.29Å
169K82Confident83.8Confident208 Ų20896.1 Ų96.190%0.90452%0.523SS*.  trans-86.7116.8168-61.8179.9-177.9-179.90106K167K167-K169 PolarHBondContact O-N 3.29Å
170I79.6Confident83.8Confident52 Ų5291 Ų9127%0.26749%0.491SS..  trans-104.5139.9175-63.4114.6000107.4R155 A168 P178R155-I170 VanDerWaalsContact C-CD1 3.42Å; R155-I170 HydrophobicContact CB-CD1 3.43Å; R155-I170 VanDerWaalsContact CB-CD1 3.43Å; R155-I170 HydrophobicContact CG-CD1 3.91Å; R155-I170 WeakPolarHBondContact O-CD1 3.26Å; R155-I170 VanDerWaalsContact O-CG1 3.25Å; R155-I170 WeakPolarHBondContact O-CG1 3.43Å; A168-I170 HydrophobicContact CB-CD1 4.29Å; I170-P178 HydrophobicContact CG2-CG 4.19Å
171D78.2Confident83.6Confident120 Ų12086 Ų8664%0.64247%0.466SS*.  trans-63.4126.3177.8-64.3-48.5000109.8A173 V174D171-A173 PolarHBondContact O-N 3.4Å; D171-V174 HydrophobicContact CB-CG2 4.32Å; D171-V174 PolarHBondContact O-N 3.44Å; D171-V174 VanDerWaalsContact O-N 3.09Å
172P75.5Confident83.4Confident124 Ų12483.5 Ų83.581%0.80546%0.455SS*.G310 helixtrans-56.6-22.3-179.2-26.234.1000114.1V174 G175P172-V174 VanDerWaalsContact C-N 3.31Å; P172-V174 PolarHBondContact O-N 2.92Å; P172-G175 PolarHBondContact O-N 3.47Å
173A75.4Confident83Confident102 Ų10280.2 Ų80.284%0.84344%0.439SS*.G310 helixtrans-67.2-27179.300000113.8D171 G175D171-A173 PolarHBondContact O-N 3.4Å; A173-G175 PolarHBondContact O-N 2.82Å
174V73.3Confident82.7Confident92 Ų9280.6 Ų80.656%0.55844%0.441SS*.G310 helixtrans-85.4-1.2179.2-161.20000111.3D171 P172 P178D171-V174 HydrophobicContact CB-CG2 4.32Å; D171-V174 PolarHBondContact O-N 3.44Å; D171-V174 VanDerWaalsContact O-N 3.09Å; P172-V174 VanDerWaalsContact C-N 3.31Å; P172-V174 PolarHBondContact O-N 2.92Å; V174-P178 HydrophobicContact CG1-CB 3.92Å
175G75.1Confident82.4Confident31 Ų3177.5 Ų77.532%0.3242%0.423SS..  trans86.9166.5-176.700000113P172 A173 F177P172-G175 PolarHBondContact O-N 3.47Å; A173-G175 PolarHBondContact O-N 2.82Å; G175-F177 VanDerWaalsContact C-N 3.29Å; G175-F177 PolarHBondContact O-N 3.16Å
176A78.6Confident82.1Confident68 Ų6872.4 Ų72.456%0.56241%0.412SS*.SBendtrans-68-27.2-17300000113.7
177F86.1Confident81.9Confident48 Ų4876.8 Ų76.821%0.21143%0.431CS..EExtended strand (participates in β ladder)trans-142.567.5-171.3-53.7-61.3000112.9Y154 R155 I163 G175 Y179 A180 G189 L191Y154-F177 CarbonylContact O-C 3.46Å; Y154-F177 WeakPolarHBondContact O-CA 3.36Å; R155-F177 HydrophobicContact CG-CD1 4.16Å; R155-F177 HydrophobicContact CG-CE1 4.31Å; I163-F177 HydrophobicContact CD1-CD1 3.49Å; I163-F177 VanDerWaalsContact CD1-CD1 3.49Å; I163-F177 HydrophobicContact CD1-CE1 3.24Å; I163-F177 HydrophobicContact CD1-CZ 4.3Å; I163-F177 HydrophobicContact CG1-CE1 4.29Å; G175-F177 VanDerWaalsContact C-N 3.29Å; G175-F177 PolarHBondContact O-N 3.16Å; F177-Y179 PolarHBondContact O-N 3.27Å; F177-A180 HydrophobicContact CB-CB 3.74Å; F177-A180 PolarHBondContact O-N 2.97Å; F177-A180 VanDerWaalsContact O-N 3.14Å; F177-G189 CarbonylContact O-C 3.17Å; F177-G189 WeakPolarHBondContact O-CA 3.47Å; F177-L191 HydrophobicContact CD2-CD1 3.84Å; F177-L191 HydrophobicContact CD2-CG 4.05Å; F177-L191 HydrophobicContact CE2-CD1 3.74Å; F177-L191 HydrophobicContact CE2-CG 4.45Å; F177-L191 HydrophobicContact CG-CD1 4.36Å; F177-L191 HydrophobicContact CG-CG 4.42Å; F177-L191 HydrophobicContact CZ-CD1 4.2Å
178P86.8Confident81.7Confident25 Ų2573.6 Ų73.616%0.16242%0.421CS..EExtended strand (participates in β ladder)trans-60.7-30.9-174.722.1-32000113.9I170 V174I170-P178 HydrophobicContact CG2-CG 4.19Å; V174-P178 HydrophobicContact CG1-CB 3.92Å
179Y87.2Confident81.8Confident116 Ų11673 Ų7346%0.45542%0.418SS..EExtended strand (participates in β ladder)trans-98.23.8-177.8-52.3-82.6000113.3Y154 R155 C156 F177Y154-Y179 PolarHBondContact O-N 3.16Å; R155-Y179 VanDerWaalsContact O-CD2 3.31Å; R155-Y179 WeakPolarHBondContact O-CD2 3.37Å; R155-Y179 VanDerWaalsContact O-CE2 3.31Å; R155-Y179 WeakPolarHBondContact O-CE2 3.03Å; C156-Y179 VanDerWaalsContact CA-CE2 3.5Å; F177-Y179 PolarHBondContact O-N 3.27Å
180A87.2Confident82Confident0 Ų064.4 Ų64.40%038%0.381CS..EExtended strand (participates in β ladder)trans-75.7123.9172.400000110Y154 F177 M188 G189 L191Y154-A180 HydrophobicContact CD1-CB 4.19Å; Y154-A180 HydrophobicContact CG-CB 4.13Å; F177-A180 HydrophobicContact CB-CB 3.74Å; F177-A180 PolarHBondContact O-N 2.97Å; F177-A180 VanDerWaalsContact O-N 3.14Å; A180-M188 CarbonylContact O-C 3.49Å; A180-M188 VanDerWaalsContact O-CA 3.25Å; A180-M188 WeakPolarHBondContact O-CA 3.09Å; A180-G189 PolarHBondContact O-N 3.49Å; A180-L191 HydrophobicContact CB-CD2 3.89Å; A180-L191 HydrophobicContact CB-CG 4.31Å
181K85.6Confident82.3Confident72 Ų7264.3 Ų64.331%0.31338%0.381SS..EExtended strand (participates in β ladder)trans-87.8127.9164-73.5178.6-179.1-1730109.1D147 M148 M188D147-K181 PolarHBondContact O-NZ 2.96Å; M148-K181 HydrophobicContact SD-CB 4.42Å; M148-K181 HydrophobicContact SD-CD 3.99Å; K181-M188 HydrophobicContact CG-CG 3.59Å; K181-M188 HydrophobicContact CG-SD 4.22Å
182C84.3Confident82.4Confident0 Ų059.7 Ų59.70%036%0.358CS..PPolyproline II helixtrans-71.2129.6176.5-178.50000110.7I184 C185 G186 E187 H190C182-I184 PolarHBondContact O-N 3.38Å; C182-I184 PolarHBondContact SG-N 3.04Å; C182-I184 VanDerWaalsContact SG-N 3.41Å; C182-C185 VanDerWaalsContact CB-SG 3.51Å; C182-G186 WeakPolarHBondContact O-CA 3.41Å; C182-G186 PolarHBondContact O-N 3.47Å; C182-E187 WeakPolarHBondContact CB-O 3.24Å; C182-E187 PolarHBondContact N-O 3.49Å; C182-H190 VanDerWaalsContact CB-NE2 3.32Å; C182-H190 WeakPolarHBondContact CB-NE2 3.38Å; C182-H190 PolarHBondContact SG-NE2 3.43Å; C182-H190 VanDerWaalsContact SG-NE2 3.38Å
183F79.9Confident82.6Confident63 Ų6361.4 Ų61.428%0.27635%0.349SS..THydrogen-bonded Turntrans-74.9-0.1177.6-56.6-70.3000114.2H128 I136 S192H128-F183 AromaticContact ND1-CD1 3.78Å; I136-F183 HydrophobicContact CD1-CE1 3.94Å; I136-F183 HydrophobicContact CD1-CZ 3.81Å; F183-S192 VanDerWaalsContact CB-OG 3.31Å; F183-S192 WeakPolarHBondContact CB-OG 3.4Å; F183-S192 WeakPolarHBondContact CD2-OG 3.23Å; F183-S192 PolarHBondContact N-OG 3.27Å
184I80Confident82.8Confident57 Ų5760.7 Ų60.729%0.29234%0.337SS..THydrogen-bonded Turntrans-108.8-58.8-177-56.3173.3000110C182 S192 N198C182-I184 PolarHBondContact O-N 3.38Å; C182-I184 PolarHBondContact SG-N 3.04Å; C182-I184 VanDerWaalsContact SG-N 3.41Å; I184-S192 WeakPolarHBondContact CD1-O 3.38Å; I184-N198 HydrophobicContact CD1-CB 4.07Å; I184-N198 WeakPolarHBondContact CD1-ND2 3.49Å; I184-N198 WeakPolarHBondContact CD1-OD1 3.41Å
185C82.8Confident83.4Confident45 Ų4556.8 Ų56.830%0.30431%0.314SS..THydrogen-bonded Turntrans-94.5-12179.665.10000114.1C182 E187 H190C182-C185 VanDerWaalsContact CB-SG 3.51Å; C185-E187 HydrophobicContact CB-CG 4.4Å; C185-E187 PolarHBondContact O-N 3.21Å; C185-H190 PolarHBondContact SG-CE1 3.31Å; C185-H190 PolarHBondContact SG-NE2 3.45Å
186G81.2Confident83.7Confident40 Ų4060.2 Ų60.241%0.41233%0.33SS..  trans78-8.3-178.600000115.1C182C182-G186 WeakPolarHBondContact O-CA 3.41Å; C182-G186 PolarHBondContact O-N 3.47Å
187E86.3Confident83.8Confident110 Ų11062.1 Ų62.151%0.51433%0.331SS..  trans-72.8154-179.4-59.9-177.2160.800112.6C182 C185 H190C182-E187 WeakPolarHBondContact CB-O 3.24Å; C182-E187 PolarHBondContact N-O 3.49Å; C185-E187 HydrophobicContact CB-CG 4.4Å; C185-E187 PolarHBondContact O-N 3.21Å; E187-H190 IonicContact OE2-CE1 3.99Å
188M85.8Confident83.3Confident130 Ų13061 Ų6164%0.6433%0.327SS*.EExtended strand (participates in β ladder)trans-92150.8176.9-66.7-172.3-5400111.6A180 K181A180-M188 CarbonylContact O-C 3.49Å; A180-M188 VanDerWaalsContact O-CA 3.25Å; A180-M188 WeakPolarHBondContact O-CA 3.09Å; K181-M188 HydrophobicContact CG-CG 3.59Å; K181-M188 HydrophobicContact CG-SD 4.22Å
189G87.3Confident82.7Confident29 Ų2965.2 Ų65.230%0.29936%0.355SS..EExtended strand (participates in β ladder)trans112.6-10.317300000114.9F177 A180F177-G189 CarbonylContact O-C 3.17Å; F177-G189 WeakPolarHBondContact O-CA 3.47Å; A180-G189 PolarHBondContact O-N 3.49Å
190H86.9Confident81.9Confident29 Ų2965.3 Ų65.313%0.13436%0.357CS..SBendtrans-145.2160.317966.3-90.8000112.7C182 C185 E187 C195C182-H190 VanDerWaalsContact CB-NE2 3.32Å; C182-H190 WeakPolarHBondContact CB-NE2 3.38Å; C182-H190 PolarHBondContact SG-NE2 3.43Å; C182-H190 VanDerWaalsContact SG-NE2 3.38Å; C185-H190 PolarHBondContact SG-CE1 3.31Å; C185-H190 PolarHBondContact SG-NE2 3.45Å; E187-H190 IonicContact OE2-CE1 3.99Å; H190-C195 VanDerWaalsContact CD2-CA 3.41Å; H190-C195 WeakPolarHBondContact CD2-CA 3.46Å; H190-C195 WeakPolarHBondContact NE2-CB 3.5Å; H190-C195 PolarHBondContact NE2-SG 3.17Å
191L85.1Confident81.3Confident50 Ų5065.5 Ų65.526%0.26236%0.36SS..  trans-91156.5172.6-67.9168.4000109.9Y154 F177 A180 R193 S194 C195Y154-L191 HydrophobicContact CD2-CD2 4.27Å; F177-L191 HydrophobicContact CD2-CD1 3.84Å; F177-L191 HydrophobicContact CD2-CG 4.05Å; F177-L191 HydrophobicContact CE2-CD1 3.74Å; F177-L191 HydrophobicContact CE2-CG 4.45Å; F177-L191 HydrophobicContact CG-CD1 4.36Å; F177-L191 HydrophobicContact CG-CG 4.42Å; F177-L191 HydrophobicContact CZ-CD1 4.2Å; A180-L191 HydrophobicContact CB-CD2 3.89Å; A180-L191 HydrophobicContact CB-CG 4.31Å; L191-R193 PolarHBondContact O-N 2.84Å; L191-S194 CarbonylContact O-C 3.55Å; L191-S194 PolarHBondContact O-N 2.9Å; L191-C195 PolarHBondContact O-N 3.04Å
192S80.4Confident80.8Confident22 Ų2263.8 Ų63.815%0.15435%0.354CS..G310 helixtrans-52.4-23.1177.5-52.80000115.2F183 I184 N198F183-S192 VanDerWaalsContact CB-OG 3.31Å; F183-S192 WeakPolarHBondContact CB-OG 3.4Å; F183-S192 WeakPolarHBondContact CD2-OG 3.23Å; F183-S192 PolarHBondContact N-OG 3.27Å; I184-S192 WeakPolarHBondContact CD1-O 3.38Å; S192-N198 PolarHBondContact O-ND2 2.92Å
193R79.9Confident80.3Confident161 Ų16166.6 Ų66.661%0.60837%0.365SS*.G310 helixtrans-73.4-31.3175.8178.6168.4178.9164.50.3113.2L191 L202L191-R193 PolarHBondContact O-N 2.84Å; R193-L202 HydrophobicContact CG-CD1 4.31Å; R193-L202 HydrophobicContact CG-CD2 4.31Å; R193-L202 HydrophobicContact CG-CG 4.11Å
194S80.3Confident79.9Confident86 Ų8667.3 Ų67.360%0.60138%0.382SS*.G310 helixtrans-108.220.3-178.1-57.70000111.3L191L191-S194 CarbonylContact O-C 3.55Å; L191-S194 PolarHBondContact O-N 2.9Å
195C85.1Confident79.5Confident11 Ų1173.8 Ų73.87%0.07441%0.411CS..  trans-74.2124.9176.1-174.70000108.9H190 L191 D197 N198H190-C195 VanDerWaalsContact CD2-CA 3.41Å; H190-C195 WeakPolarHBondContact CD2-CA 3.46Å; H190-C195 WeakPolarHBondContact NE2-CB 3.5Å; H190-C195 PolarHBondContact NE2-SG 3.17Å; L191-C195 PolarHBondContact O-N 3.04Å; C195-D197 VanDerWaalsContact C-N 3.28Å; C195-N198 HydrophobicContact CB-CB 4.33Å
196P81.1Confident79.2Confident102 Ų10273.1 Ų73.166%0.66241%0.413SS*.SBendtrans-65.2-35.9177.326.2-32.8000111.2N198P196-N198 PolarHBondContact O-N 3.26Å
197D80.5Confident79.2Confident109 Ų10972.9 Ų72.958%0.58341%0.41SS*.SBendtrans-97.856.8-178.1-59.5-38.7000111.6C195 P199C195-D197 VanDerWaalsContact C-N 3.28Å; D197-P199 WeakPolarHBondContact O-CD 3.34Å
198N75.6Confident79.2Confident24 Ų2470.5 Ų70.513%0.12841%0.405CS..  trans-100.495178.7-172.5-6.5000112.4I184 S192 C195 P196 K200 G201I184-N198 HydrophobicContact CD1-CB 4.07Å; I184-N198 WeakPolarHBondContact CD1-ND2 3.49Å; I184-N198 WeakPolarHBondContact CD1-OD1 3.41Å; S192-N198 PolarHBondContact O-ND2 2.92Å; C195-N198 HydrophobicContact CB-CB 4.33Å; P196-N198 PolarHBondContact O-N 3.26Å; N198-K200 PolarHBondContact O-N 2.92Å; N198-K200 PolarHBondContact OD1-N 3.38Å; N198-G201 WeakPolarHBondContact ND2-CA 3.5Å; N198-G201 PolarHBondContact ND2-O 3.37Å; N198-G201 PolarHBondContact O-N 3.08Å; N198-G201 VanDerWaalsContact O-N 3.13Å; N198-G201 WeakPolarHBondContact OD1-CA 3.31Å; N198-G201 PolarHBondContact OD1-N 3.41Å
199P74Confident79.2Confident114 Ų11464.3 Ų64.374%0.7437%0.374SS*.THydrogen-bonded Turntrans-67.1-19.9-179.428-36.2000113.5D197D197-P199 WeakPolarHBondContact O-CD 3.34Å
200K70.8Confident79.1Confident117 Ų11773.9 Ų73.951%0.50940%0.402SS..THydrogen-bonded Turntrans-99.1-9178.3-65.3178.9-179.5177.50112.5N198 G206N198-K200 PolarHBondContact O-N 2.92Å; N198-K200 PolarHBondContact OD1-N 3.38Å; K200-G206 WeakPolarHBondContact O-CA 3.43Å
201G74.9Confident79.1Confident5 Ų576.2 Ų76.25%0.05242%0.415CS..THydrogen-bonded Turntrans46.8-152.1-17100000116.2N198 Y203N198-G201 WeakPolarHBondContact ND2-CA 3.5Å; N198-G201 PolarHBondContact ND2-O 3.37Å; N198-G201 PolarHBondContact O-N 3.08Å; N198-G201 VanDerWaalsContact O-N 3.13Å; N198-G201 WeakPolarHBondContact OD1-CA 3.31Å; N198-G201 PolarHBondContact OD1-N 3.41Å; G201-Y203 VanDerWaalsContact C-N 3.27Å; G201-Y203 PolarHBondContact O-N 3.46Å
202L74.3Confident79.2Confident35 Ų3576 Ų7618%0.18342%0.417CS..THydrogen-bonded Turntrans-71.7-15.7-170.7-98.469.9000114.7R193 V215 E216 F218R193-L202 HydrophobicContact CG-CD1 4.31Å; R193-L202 HydrophobicContact CG-CD2 4.31Å; R193-L202 HydrophobicContact CG-CG 4.11Å; L202-V215 PolarHBondContact N-O 2.82Å; L202-V215 VanDerWaalsContact N-O 3.16Å; L202-E216 WeakPolarHBondContact CD1-O 3.48Å; L202-E216 WeakPolarHBondContact CD2-O 3.3Å; L202-F218 HydrophobicContact CB-CE1 4.15Å; L202-F218 HydrophobicContact CB-CE2 4.44Å; L202-F218 HydrophobicContact CB-CZ 3.99Å; L202-F218 HydrophobicContact CD2-CD2 4.13Å; L202-F218 HydrophobicContact CD2-CE2 3.76Å; L202-F218 HydrophobicContact CD2-CZ 4.15Å; L202-F218 HydrophobicContact CG-CZ 4.46Å
203Y74.7Confident79.3Confident59 Ų5977 Ų7723%0.23143%0.431CS..SBendtrans-82.8139.2-177-66-92.8000111.5R130 G201 E205 G206 G207 F218 R219R130-Y203 PolarHBondContact NH1-O 3.28Å; G201-Y203 VanDerWaalsContact C-N 3.27Å; G201-Y203 PolarHBondContact O-N 3.46Å; Y203-E205 VanDerWaalsContact C-N 3.31Å; Y203-E205 PolarHBondContact O-N 3.36Å; Y203-G206 PolarHBondContact O-N 3.42Å; Y203-G207 WeakPolarHBondContact CD2-O 3.32Å; Y203-F218 HydrophobicContact CD1-CD1 4.25Å; Y203-F218 HydrophobicContact CD1-CE1 4.28Å; Y203-F218 AromaticContact CE1-CD1 3.8Å; Y203-F218 HydrophobicContact CE1-CD1 3.8Å; Y203-F218 HydrophobicContact CE1-CE1 4.29Å; Y203-F218 HydrophobicContact CE2-CD1 4.41Å; Y203-F218 AromaticContact CZ-CD1 3.91Å; Y203-F218 WeakPolarHBondContact OH-CA 3.19Å; Y203-R219 PolarHBondContact OH-N 3.3Å
204A70.4Confident79.6Confident78 Ų7870.8 Ų70.865%0.64541%0.412SS*.THydrogen-bonded Turntrans-63.4-36.1-17700000112.9R130R130-A204 PolarHBondContact NH1-O 3.32Å
205E71.8Confident79.8Confident193 Ų19369.2 Ų69.290%0.90240%0.398SS*.THydrogen-bonded Turntrans-91.5-1.3180-65.8177.8174.200113.1Y203Y203-E205 VanDerWaalsContact C-N 3.31Å; Y203-E205 PolarHBondContact O-N 3.36Å
206G76.5Confident79.7Confident32 Ų3276.4 Ų76.433%0.3343%0.431SS..  trans79.3136-165.600000111K200 Y203K200-G206 WeakPolarHBondContact O-CA 3.43Å; Y203-G206 PolarHBondContact O-N 3.42Å
207G82.4Confident79.8Confident35 Ų3573.1 Ų73.136%0.36141%0.407SS..  trans159.7167.6179.400000111.7Y203 V215Y203-G207 WeakPolarHBondContact CD2-O 3.32Å; G207-V215 WeakPolarHBondContact O-CG1 3.04Å
208C84.6Confident80Confident60 Ų6071.1 Ų71.141%0.40539%0.393SS..  trans-116.5165.4178.458.40000111.4R210 G213 S214C208-R210 PolarHBondContact O-N 3.3Å; C208-G213 WeakPolarHBondContact CB-O 3.37Å; C208-S214 CarbonylContact C-O 3.47Å; C208-S214 VanDerWaalsContact CA-O 3.29Å; C208-S214 WeakPolarHBondContact CA-O 3.25Å; C208-S214 WeakPolarHBondContact CB-O 3.38Å
209C86.9Confident80.5Confident0 Ų076.5 Ų76.50%041%0.411CS..  trans-54.7124166.9-176.90000109.4L211 G213 S214C209-L211 PolarHBondContact O-N 3.44Å; C209-L211 VanDerWaalsContact O-N 3.14Å; C209-G213 WeakPolarHBondContact O-CA 3.48Å; C209-G213 PolarHBondContact O-N 3.13Å; C209-S214 WeakPolarHBondContact CB-O 3.22Å; C209-S214 PolarHBondContact N-O 2.98Å
210R84.6Confident80.9Confident230 Ų23079.5 Ų79.587%0.86841%0.413SS*.THydrogen-bonded Turntrans-71-6.4-177.7-61.1-177.2-173.3174.2-0114.3C208C208-R210 PolarHBondContact O-N 3.3Å
211L86.8Confident81.6Confident78 Ų7878.6 Ų78.641%0.40841%0.414SS..THydrogen-bonded Turntrans-94.3-61.8178.4-62.5171.7000109.8C209 R219 C222 N225C209-L211 PolarHBondContact O-N 3.44Å; C209-L211 VanDerWaalsContact O-N 3.14Å; L211-R219 HydrophobicContact CD1-CG 3.96Å; L211-R219 HydrophobicContact CG-CG 4.32Å; L211-C222 HydrophobicContact CD1-CB 4.38Å; L211-N225 HydrophobicContact CD1-CB 3.56Å
212C86.8Confident82.3Confident45 Ų4578.4 Ų78.430%0.30441%0.411SS..THydrogen-bonded Turntrans-100.6-6.4-175.864.40000115.2S214 H217 C222 E224C212-S214 PolarHBondContact O-N 3.41Å; C212-S214 PolarHBondContact SG-OG 3.2Å; C212-S214 VanDerWaalsContact SG-OG 3.41Å; C212-H217 PolarHBondContact SG-CE1 3.38Å; C212-H217 PolarHBondContact SG-NE2 3.46Å; C212-C222 VanDerWaalsContact SG-SG 3.6Å; C212-E224 VanDerWaalsContact CB-OE2 3.3Å; C212-E224 WeakPolarHBondContact CB-OE2 3.41Å
213G84.4Confident82.8Confident44 Ų4480.6 Ų80.645%0.45443%0.428SS..  trans73.64.9-177.600000115.6C208 C209C208-G213 WeakPolarHBondContact CB-O 3.37Å; C209-G213 WeakPolarHBondContact O-CA 3.48Å; C209-G213 PolarHBondContact O-N 3.13Å
214S84.8Confident83.2Confident30 Ų3082.7 Ų82.721%0.2144%0.439CS..  trans-76.2153.5178.185.20000112.7C208 C209 C212 H217C208-S214 CarbonylContact C-O 3.47Å; C208-S214 VanDerWaalsContact CA-O 3.29Å; C208-S214 WeakPolarHBondContact CA-O 3.25Å; C208-S214 WeakPolarHBondContact CB-O 3.38Å; C209-S214 WeakPolarHBondContact CB-O 3.22Å; C209-S214 PolarHBondContact N-O 2.98Å; C212-S214 PolarHBondContact O-N 3.41Å; C212-S214 PolarHBondContact SG-OG 3.2Å; C212-S214 VanDerWaalsContact SG-OG 3.41Å; S214-H217 PolarHBondContact OG-CE1 3.38Å; S214-H217 PolarHBondContact OG-ND1 2.99Å; S214-H217 VanDerWaalsContact OG-ND1 3.09Å; S214-H217 PolarHBondContact OG-NE2 2.91Å
215V83.9Confident83.6Confident52 Ų5280.9 Ų80.932%0.31542%0.419SS..SBendtrans-102.4-4.8-179.6-135.50000112.9L202 G207L202-V215 PolarHBondContact N-O 2.82Å; L202-V215 VanDerWaalsContact N-O 3.16Å; G207-V215 WeakPolarHBondContact O-CG1 3.04Å
216E83.3Confident83.4Confident163 Ų16379 Ų7976%0.76241%0.411SS*.SBendtrans-83.6-23.2-171.8-63.7-178168.800113.8L202L202-E216 WeakPolarHBondContact CD1-O 3.48Å; L202-E216 WeakPolarHBondContact CD2-O 3.3Å
217H83.4Confident82.8Confident32 Ų3284.1 Ų84.115%0.14843%0.43CS..SBendtrans-134156.6-175.961.5-111.5000113.5C212 S214 D221 C222 P223C212-H217 PolarHBondContact SG-CE1 3.38Å; C212-H217 PolarHBondContact SG-NE2 3.46Å; S214-H217 PolarHBondContact OG-CE1 3.38Å; S214-H217 PolarHBondContact OG-ND1 2.99Å; S214-H217 VanDerWaalsContact OG-ND1 3.09Å; S214-H217 PolarHBondContact OG-NE2 2.91Å; H217-D221 HydrophobicContact CB-CB 4.37Å; H217-C222 VanDerWaalsContact CD2-CA 3.43Å; H217-C222 WeakPolarHBondContact CD2-CA 3.3Å; H217-C222 VanDerWaalsContact NE2-CA 3.32Å; H217-C222 WeakPolarHBondContact NE2-CA 3.35Å; H217-C222 VanDerWaalsContact NE2-CB 3.26Å; H217-C222 WeakPolarHBondContact NE2-CB 3.37Å; H217-C222 PolarHBondContact NE2-SG 2.83Å; H217-P223 VanDerWaalsContact CE1-CD 3.49Å; H217-P223 WeakPolarHBondContact CE1-CD 3.38Å
218F85.7Confident81.8Confident67 Ų6785.1 Ų85.129%0.29443%0.432SS..  trans-75.1152168.5-66.1-66.9000110L202 Y203 K220 D221 C222L202-F218 HydrophobicContact CB-CE1 4.15Å; L202-F218 HydrophobicContact CB-CE2 4.44Å; L202-F218 HydrophobicContact CB-CZ 3.99Å; L202-F218 HydrophobicContact CD2-CD2 4.13Å; L202-F218 HydrophobicContact CD2-CE2 3.76Å; L202-F218 HydrophobicContact CD2-CZ 4.15Å; L202-F218 HydrophobicContact CG-CZ 4.46Å; Y203-F218 HydrophobicContact CD1-CD1 4.25Å; Y203-F218 HydrophobicContact CD1-CE1 4.28Å; Y203-F218 AromaticContact CE1-CD1 3.8Å; Y203-F218 HydrophobicContact CE1-CD1 3.8Å; Y203-F218 HydrophobicContact CE1-CE1 4.29Å; Y203-F218 HydrophobicContact CE2-CD1 4.41Å; Y203-F218 AromaticContact CZ-CD1 3.91Å; Y203-F218 WeakPolarHBondContact OH-CA 3.19Å; F218-K220 PolarHBondContact O-N 3.26Å; F218-D221 CarbonylContact O-C 3.54Å; F218-D221 PolarHBondContact O-N 2.89Å; F218-C222 PolarHBondContact O-N 3.32Å
219R84.9Confident80.8Confident137 Ų13789.2 Ų89.252%0.51745%0.45SS..G310 helixtrans-46.4-35.5176.2-179.6-178.9175.1-130.7-3.9113.7Y203 L211 D221 C222 N225Y203-R219 PolarHBondContact OH-N 3.3Å; L211-R219 HydrophobicContact CD1-CG 3.96Å; L211-R219 HydrophobicContact CG-CG 4.32Å; R219-D221 VanDerWaalsContact C-N 3.33Å; R219-C222 WeakPolarHBondContact O-CB 3.32Å; R219-C222 PolarHBondContact O-N 3.24Å; R219-N225 WeakPolarHBondContact O-CB 3.44Å
220K83.8Confident79.6Confident177 Ų17796.2 Ų96.277%0.7748%0.482SS*.G310 helixtrans-65.3-36.8179.4-63.5-175.5178.2-174.60113.1F218 C222F218-K220 PolarHBondContact O-N 3.26Å; K220-C222 VanDerWaalsContact C-N 3.28Å
221D85.2Confident78.6Confident99 Ų9991.6 Ų91.653%0.52948%0.479SS..G310 helixtrans-95.712.7-177.4-49.9-42.4000110.8H217 F218 R219H217-D221 HydrophobicContact CB-CB 4.37Å; F218-D221 CarbonylContact O-C 3.54Å; F218-D221 PolarHBondContact O-N 2.89Å; R219-D221 VanDerWaalsContact C-N 3.33Å
222C88.3Confident77.5Confident0 Ų093 Ų930%049%0.491CS..  trans-71.2127.2178-176.10000109.4L211 C212 H217 F218 R219 K220 E224 N225L211-C222 HydrophobicContact CD1-CB 4.38Å; C212-C222 VanDerWaalsContact SG-SG 3.6Å; H217-C222 VanDerWaalsContact CD2-CA 3.43Å; H217-C222 WeakPolarHBondContact CD2-CA 3.3Å; H217-C222 VanDerWaalsContact NE2-CA 3.32Å; H217-C222 WeakPolarHBondContact NE2-CA 3.35Å; H217-C222 VanDerWaalsContact NE2-CB 3.26Å; H217-C222 WeakPolarHBondContact NE2-CB 3.37Å; H217-C222 PolarHBondContact NE2-SG 2.83Å; F218-C222 PolarHBondContact O-N 3.32Å; R219-C222 WeakPolarHBondContact O-CB 3.32Å; R219-C222 PolarHBondContact O-N 3.24Å; K220-C222 VanDerWaalsContact C-N 3.28Å; C222-E224 PolarHBondContact O-N 3.47Å; C222-N225 HydrophobicContact CB-CB 3.82Å; C222-N225 VanDerWaalsContact O-CB 3.31Å; C222-N225 WeakPolarHBondContact O-CB 3.31Å; C222-N225 PolarHBondContact O-N 2.88Å
223P85.4Confident76.6Confident81 Ų8196.4 Ų96.453%0.52651%0.51SS..G310 helixtrans-59.9-34.2179.424.4-33.1000111.5H217 N225 Q226H217-P223 VanDerWaalsContact CE1-CD 3.49Å; H217-P223 WeakPolarHBondContact CE1-CD 3.38Å; P223-N225 VanDerWaalsContact C-N 3.3Å; P223-N225 PolarHBondContact O-N 3.18Å; P223-Q226 PolarHBondContact O-N 2.73Å
224E84Confident75.9Confident103 Ų10397 Ų9748%0.48152%0.516SS..G310 helixtrans-70.6-24175.9-65.2172.7-17100113.2C212 C222 Q226 N227C212-E224 VanDerWaalsContact CB-OE2 3.3Å; C212-E224 WeakPolarHBondContact CB-OE2 3.41Å; C222-E224 PolarHBondContact O-N 3.47Å; E224-Q226 VanDerWaalsContact C-N 3.27Å; E224-Q226 PolarHBondContact O-N 3.32Å; E224-N227 PolarHBondContact O-N 3.14Å
225N78.3Confident75.1Confident41 Ų41107.5 Ų107.522%0.21955%0.551CS.*G310 helixtrans-74.4-17.5177.1-170.166.6000112.6L211 R219 C222 P223 N227 S228L211-N225 HydrophobicContact CD1-CB 3.56Å; R219-N225 WeakPolarHBondContact O-CB 3.44Å; C222-N225 HydrophobicContact CB-CB 3.82Å; C222-N225 VanDerWaalsContact O-CB 3.31Å; C222-N225 WeakPolarHBondContact O-CB 3.31Å; C222-N225 PolarHBondContact O-N 2.88Å; P223-N225 VanDerWaalsContact C-N 3.3Å; P223-N225 PolarHBondContact O-N 3.18Å; N225-N227 PolarHBondContact O-N 3.19Å; N225-S228 PolarHBondContact O-N 3.31Å; N225-S228 PolarHBondContact O-OG 3.1Å; N225-S228 PolarHBondContact OD1-OG 3.45Å
226Q67.3Low74.3Confident154 Ų154112.2 Ų112.272%0.7256%0.563SS**G310 helixtrans-71-22.6172.1-63.9-174.65.300112.1P223 E224P223-Q226 PolarHBondContact O-N 2.73Å; E224-Q226 VanDerWaalsContact C-N 3.27Å; E224-Q226 PolarHBondContact O-N 3.32Å
227N64.6Low73.8Confident138 Ų138107.4 Ų107.474%0.73855%0.551SS**SBendtrans-88.1-12.2177.2-62-31.5000112.9E224 N225 D229E224-N227 PolarHBondContact O-N 3.14Å; N225-N227 PolarHBondContact O-N 3.19Å; N227-D229 PolarHBondContact O-N 3.22Å
228S61.6Low73.1Confident57 Ų57113.5 Ų113.540%0.39959%0.591SS.*SBendtrans-87.788.9169.761.30000108.4N225 H230N225-S228 PolarHBondContact O-N 3.31Å; N225-S228 PolarHBondContact O-OG 3.1Å; N225-S228 PolarHBondContact OD1-OG 3.45Å; S228-H230 VanDerWaalsContact C-N 3.34Å; S228-H230 PolarHBondContact O-N 3.25Å
229D63Low72.5Confident146 Ų146114.2 Ų114.278%0.78162%0.618SS**  trans-52.9102.5166.5-73.6-34.7000108.1N227 V231N227-D229 PolarHBondContact O-N 3.22Å; D229-V231 PolarHBondContact O-N 3.46Å
230H61.3Low72Confident146 Ų146112.1 Ų112.168%0.67662%0.615SS**  trans-66.5108.7174.659.4-79.5000106.4S228 T232S228-H230 VanDerWaalsContact C-N 3.34Å; S228-H230 PolarHBondContact O-N 3.25Å; H230-T232 VanDerWaalsContact CD2-CG2 3.45Å; H230-T232 WeakPolarHBondContact CD2-CG2 3.31Å; H230-T232 PolarHBondContact O-N 3.34Å
231V64.6Low71.3Confident133 Ų133107 Ų10781%0.80660%0.602SS**  trans-68.284.6164.6-178.70000106.3D229 V233D229-V231 PolarHBondContact O-N 3.46Å; V231-V233 VanDerWaalsContact C-N 3.33Å; V231-V233 PolarHBondContact O-N 3.01Å
232T62.2Low70.4Confident107 Ų107105.6 Ų105.666%0.65660%0.604SS**  trans-67.398.2167.727.80000107.4H230 G234H230-T232 VanDerWaalsContact CD2-CG2 3.45Å; H230-T232 WeakPolarHBondContact CD2-CG2 3.31Å; H230-T232 PolarHBondContact O-N 3.34Å; T232-G234 PolarHBondContact O-N 3.28Å; T232-G234 VanDerWaalsContact O-N 3.15Å
233V67.5Low69.6Low118 Ų118112.5 Ų112.572%0.71564%0.641SS**  trans-57120.9162.1-169.90000106.2V231 R235V231-V233 VanDerWaalsContact C-N 3.33Å; V231-V233 PolarHBondContact O-N 3.01Å; V233-R235 PolarHBondContact O-N 3.33Å
234G71.4Confident68.8Low56 Ų56116.3 Ų116.358%0.57765%0.646SS**  trans-51.5135.5-175.700000111T232 W236T232-G234 PolarHBondContact O-N 3.28Å; T232-G234 VanDerWaalsContact O-N 3.15Å; G234-W236 PolarHBondContact O-N 2.76Å; G234-W236 VanDerWaalsContact O-N 3.1Å
235R67.6Low68Low250 Ų250119.3 Ų119.394%0.94366%0.66SS**  trans-63.7114.7177179.2170169.6-176.9-4.5108.7V233 A237V233-R235 PolarHBondContact O-N 3.33Å; R235-A237 PolarHBondContact O-N 2.78Å
236W66.6Low67.2Low151 Ų151125.2 Ų125.257%0.57269%0.686SS**  trans-57.3129.2177.5-64.9-8.3000110.5G234 M240 A242G234-W236 PolarHBondContact O-N 2.76Å; G234-W236 VanDerWaalsContact O-N 3.1Å; W236-M240 HydrophobicContact CB-CB 4.23Å; W236-A242 VanDerWaalsContact CH2-CA 3.41Å; W236-A242 HydrophobicContact CH2-CB 3.41Å; W236-A242 VanDerWaalsContact CH2-CB 3.41Å; W236-A242 HydrophobicContact CZ2-CB 4.32Å; W236-A242 HydrophobicContact CZ3-CB 3.83Å
237A73.9Confident66.8Low62 Ų62124.7 Ų124.751%0.51269%0.687SS.*  trans-69151.3171.900000109.6R235 G239 M240R235-A237 PolarHBondContact O-N 2.78Å; A237-G239 PolarHBondContact O-N 3.29Å; A237-M240 HydrophobicContact CB-CG 4.2Å; A237-M240 HydrophobicContact CB-SD 3.86Å; A237-M240 PolarHBondContact N-SD 3.36Å; A237-M240 PolarHBondContact O-N 3.48Å
238T68.6Low66.3Low160 Ų160123.6 Ų123.698%0.98269%0.685SS**THydrogen-bonded Turntrans-57.4105.3176.4-45.80000109.5
239G72.7Confident66Low83 Ų83129 Ų12986%0.85670%0.704SS**THydrogen-bonded Turntrans122.2-5.9-176.600000115.6A237A237-G239 PolarHBondContact O-N 3.29Å
240M74Confident65.4Low92 Ų92128.2 Ų128.245%0.45371%0.705SS.*  trans-88.6127.4173.9-58.7-179.781.700110.5W236 A237 Y244W236-M240 HydrophobicContact CB-CB 4.23Å; A237-M240 HydrophobicContact CB-CG 4.2Å; A237-M240 HydrophobicContact CB-SD 3.86Å; A237-M240 PolarHBondContact N-SD 3.36Å; A237-M240 PolarHBondContact O-N 3.48Å; M240-Y244 HydrophobicContact CE-CD1 4.37Å
241S70.1Confident65.1Low70 Ų70126.3 Ų126.349%0.4971%0.708SS.*  trans-89.9157.2173.751.30000111.3D243 Y244S241-D243 PolarHBondContact O-N 3.47Å; S241-Y244 WeakPolarHBondContact O-CB 3.25Å; S241-Y244 PolarHBondContact O-N 3.42Å
242A64.6Low64.6Low70 Ų70129.2 Ų129.258%0.57971%0.71SS**THydrogen-bonded Turntrans-59.4-25.4178.300000113.7W236W236-A242 VanDerWaalsContact CH2-CA 3.41Å; W236-A242 HydrophobicContact CH2-CB 3.41Å; W236-A242 VanDerWaalsContact CH2-CB 3.41Å; W236-A242 HydrophobicContact CZ2-CB 4.32Å; W236-A242 HydrophobicContact CZ3-CB 3.83Å
243D72Confident64.4Low145 Ų145132 Ų13278%0.77572%0.719SS**THydrogen-bonded Turntrans-10021.9-177.3-48.2-38.7000112.9S241 E245S241-D243 PolarHBondContact O-N 3.47Å; D243-E245 PolarHBondContact O-N 3.19Å
244Y68.1Low64Low160 Ų160135.4 Ų135.463%0.62773%0.728SS**  trans-75.790.5179.2-169-99.2000110.6M240 S241 E246M240-Y244 HydrophobicContact CE-CD1 4.37Å; S241-Y244 WeakPolarHBondContact O-CB 3.25Å; S241-Y244 PolarHBondContact O-N 3.42Å; Y244-E246 PolarHBondContact O-N 3.36Å
245E67.3Low63.5Low167 Ų167142.4 Ų142.478%0.7874%0.742SS**  trans-65117.9166.3-73.3-95.1149.900109D243 I247D243-E245 PolarHBondContact O-N 3.19Å; E245-I247 VanDerWaalsContact C-N 3.32Å; E245-I247 PolarHBondContact O-N 2.93Å
246E62.4Low63.2Low164 Ų164135.1 Ų135.177%0.76674%0.735SS**  trans-69.589.9173.9-171.2176.1-168.200108.7Y244 T248Y244-E246 PolarHBondContact O-N 3.36Å; E246-T248 PolarHBondContact O-N 3.08Å
247I57.8Low63.1Low143 Ų143137.5 Ų137.573%0.73375%0.75SS**  trans-62.4102.5170.2-59.4165.9000106.1E245 E249E245-I247 VanDerWaalsContact C-N 3.32Å; E245-I247 PolarHBondContact O-N 2.93Å; I247-E249 PolarHBondContact O-N 3.09Å
248T55.2Low62.7Low115 Ų115143.2 Ų143.271%0.70677%0.768SS**  trans-63.992.5169.448.60000107.5E246 T250E246-T248 PolarHBondContact O-N 3.08Å; T248-T250 VanDerWaalsContact C-N 3.33Å; T248-T250 PolarHBondContact O-N 2.76Å
249E55.3Low62.9Low172 Ų172145.4 Ų145.480%0.80476%0.764SS**  trans-56.7102.9169-77.2-172.5171.500107I247 S251I247-E249 PolarHBondContact O-N 3.09Å; E249-S251 PolarHBondContact O-N 3.11Å; E249-S251 VanDerWaalsContact O-N 3.09Å
250T49.8Very low62.9Low129 Ų129147.7 Ų147.779%0.79176%0.761SS**  trans-44.4120.417750.90000109.1T248 K252T248-T250 VanDerWaalsContact C-N 3.33Å; T248-T250 PolarHBondContact O-N 2.76Å; T250-K252 PolarHBondContact O-N 3Å; T250-K252 VanDerWaalsContact O-N 3.09Å
251S55.2Low62.9Low105 Ų105148.7 Ų148.773%0.73477%0.774SS**  trans-44.8115.9-175.955.40000111.4E249 L253E249-S251 PolarHBondContact O-N 3.11Å; E249-S251 VanDerWaalsContact O-N 3.09Å; S251-L253 PolarHBondContact O-N 2.84Å
252K54.4Low62.9Low195 Ų195155 Ų15585%0.84879%0.793SS**  trans-57.1110.2165.5-76174-179.3165.90107.6T250 Q254T250-K252 PolarHBondContact O-N 3Å; T250-K252 VanDerWaalsContact O-N 3.09Å; K252-Q254 PolarHBondContact O-N 3.22Å; K252-Q254 VanDerWaalsContact O-N 3.13Å
253L57.7Low63.3Low164 Ų164158.9 Ų158.986%0.85980%0.802SS**  trans-47.8118.8175.6-74.3163.4000109.5S251 K255S251-L253 PolarHBondContact O-N 2.84Å; L253-K255 PolarHBondContact O-N 2.87Å
254Q58.7Low62.9Low191 Ų191157.6 Ų157.689%0.89380%0.8SS**  trans-66.8114.8174.3-66-179.1-12.800108.2K252 A256K252-Q254 PolarHBondContact O-N 3.22Å; K252-Q254 VanDerWaalsContact O-N 3.13Å; Q254-A256 PolarHBondContact O-N 2.84Å
255K61.4Low62.8Low202 Ų202156.7 Ų156.788%0.87881%0.806SS**PPolyproline II helixtrans-61121.5172.3-67.9-178.4179.6-178.80108.7L253 K257L253-K255 PolarHBondContact O-N 2.87Å; K255-K257 PolarHBondContact O-N 3.16Å
256A62.3Low62.3Low97 Ų97161.9 Ų161.980%0.80283%0.826SS**PPolyproline II helixtrans-60.7126.2177.500000110.5Q254 M258Q254-A256 PolarHBondContact O-N 2.84Å; A256-M258 PolarHBondContact O-N 3.16Å
257K63.9Low62.3Low202 Ų202161.8 Ų161.888%0.87883%0.829SS**PPolyproline II helixtrans-75.7120.6174-67.5-178179.2178.60109.2K255K255-K257 PolarHBondContact O-N 3.16Å
258M65.6Low62.6Low182 Ų182162.8 Ų162.890%0.89783%0.834SS**PPolyproline II helixtrans-66.6132.1172.8-63.4171.270.500109.6A256A256-M258 PolarHBondContact O-N 3.16Å
259K71.4Confident63Low205 Ų205165.4 Ų165.489%0.89184%0.841SS**PPolyproline II helixtrans-76.1127.5177-66.1177.9-179175.90109.4
260V74Confident63.4Low132 Ų132165.1 Ų165.180%0.884%0.844SS**PPolyproline II helixtrans-78.2133.5171.4-177.50000108.7
261P72.8Confident64.3Low112 Ų112167.3 Ų167.373%0.72785%0.847SS**PPolyproline II helixtrans-68.6138.7178.226.9-32.9000111.4I263P261-I263 PolarHBondContact O-N 3.24Å
262K71.6Confident64.9Low203 Ų203171.5 Ų171.588%0.88385%0.854SS**PPolyproline II helixtrans-72.4121.6174.6-83.6176.3175.5175.80109.6
263I72.4Confident65.6Low152 Ų152169.8 Ų169.878%0.77986%0.855SS**PPolyproline II helixtrans-79.9123.5167.8-62.1168.1000107P261 N265P261-I263 PolarHBondContact O-N 3.24Å; I263-N265 WeakPolarHBondContact CG2-OD1 3.06Å
264V64.4Low66.2Low118 Ų118170.2 Ų170.272%0.71585%0.854SS**PPolyproline II helixtrans-99.1119.6172.4-177.80000106.6
265N64.6Low66.9Low141 Ų141168.5 Ų168.575%0.75485%0.851SS**PPolyproline II helixtrans-91.6135.1170.6-63.8-19.1000108I263I263-N265 WeakPolarHBondContact CG2-OD1 3.06Å
266F58.1Low67.4Low276 Ų276165.5 Ų165.5100%1.21185%0.849SS**  trans-74.80175.1-75.5-87.2000111.7

Retrieved 266 of 266 residues in 53.9 ms (Link to these results)