A0A077Z6Q0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z6Q0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 187 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
1M39.4Very low48.9Very low244 Ų244163.1 Ų163.1100%1.20283%0.831SS**  0129.60-67.9179.769.800108.5
2L46.2Very low49.5Very low173 Ų173162.8 Ų162.891%0.90683%0.832SS**  trans-77.1138.4176.3-79.390.8000111.1
3Q42.5Very low49.6Very low197 Ų197166.2 Ų166.292%0.92184%0.837SS**  trans179.6114.9150.3-107.5170.1-34.900106.1
4G39.9Very low49.8Very low71 Ų71160.9 Ų160.973%0.73282%0.823SS**  cis104.1102.936.200000108.3
5S50.8Low50.1Low103 Ų103158.9 Ų158.972%0.7281%0.813SS**  trans-168.599.1146.558.60000111.3L7S5-L7 VanDerWaalsContact C-N 3.33Å; S5-L7 PolarHBondContact O-N 3.32Å
6Y49.1Very low49.9Very low222 Ų222161.6 Ų161.687%0.87182%0.818SS**  trans-65.887.2160.7-68.9-98.8000109.4L8Y6-L8 VanDerWaalsContact C-N 3.34Å; Y6-L8 PolarHBondContact O-N 2.79Å
7L55.7Low50.1Low137 Ų137162.1 Ų162.172%0.71781%0.813SS**  trans-96.966.1163.7-104.283.8000110.2S5 N9S5-L7 VanDerWaalsContact C-N 3.33Å; S5-L7 PolarHBondContact O-N 3.32Å; L7-N9 PolarHBondContact O-N 3.32Å
8L53.8Low49.8Very low151 Ų151158.7 Ų158.779%0.79181%0.807SS**  trans-69.786.8153.6-75.6166.2000106.9Y6 K10Y6-L8 VanDerWaalsContact C-N 3.34Å; Y6-L8 PolarHBondContact O-N 2.79Å; L8-K10 PolarHBondContact O-N 3.45Å
9N51.9Low49.8Very low126 Ų126156.1 Ų156.167%0.67481%0.805SS**  trans-64.7100.1-176.7-139.6-13.2000109.4L7 K11L7-N9 PolarHBondContact O-N 3.32Å; N9-K11 PolarHBondContact O-N 3.5Å
10K58.4Low50Low197 Ų197154.5 Ų154.586%0.85780%0.798SS**  trans-7054.4179.2-71.1-174.8173.4178.50113.2L8L8-K10 PolarHBondContact O-N 3.45Å
11K50.7Low50.1Low173 Ų173152.6 Ų152.675%0.75280%0.799SS**  trans-135.965.4-177.9-71-170.8178.9-178.80114.7N9N9-K11 PolarHBondContact O-N 3.5Å
12L55.4Low50.8Low160 Ų160151.2 Ų151.284%0.83878%0.78SS**  trans-131.955.5149.7-69.8174.3000109.6S14L12-S14 PolarHBondContact O-N 3.25Å; L12-S14 VanDerWaalsContact O-N 3.1Å
13K50.7Low51.4Low207 Ų207148.6 Ų148.690%0.977%0.773SS**  trans-76.572.6159.1-74.3-175.4176.3-177.20108.4
14S53.4Low51.9Low91 Ų91144 Ų14464%0.63676%0.76SS**  trans-164.748.9166650000112.2L12 K16L12-S14 PolarHBondContact O-N 3.25Å; L12-S14 VanDerWaalsContact O-N 3.1Å; S14-K16 PolarHBondContact O-N 3.29Å
15L53.2Low52.5Low131 Ų131146.1 Ų146.169%0.68676%0.761SS**  trans-83.680.3151.2-100.497.9000107.3F17L15-F17 HydrophobicContact CB-CD2 4.14Å; L15-F17 HydrophobicContact CB-CE2 3.89Å; L15-F17 HydrophobicContact CB-CZ 4.48Å; L15-F17 HydrophobicContact CD2-CD1 4.4Å; L15-F17 HydrophobicContact CD2-CD2 4.22Å; L15-F17 HydrophobicContact CD2-CE1 3.69Å; L15-F17 HydrophobicContact CD2-CE2 3.47Å; L15-F17 VanDerWaalsContact CD2-CE2 3.47Å; L15-F17 HydrophobicContact CD2-CZ 3.18Å; L15-F17 HydrophobicContact CG-CE2 4.32Å; L15-F17 HydrophobicContact CG-CZ 4.42Å; L15-F17 PolarHBondContact O-N 3.16Å
16K48Very low52.6Low203 Ų203147.2 Ų147.288%0.88377%0.769SS**  trans-70.492.1155.8-82.1177170.9-179.30105.6S14 S18S14-K16 PolarHBondContact O-N 3.29Å; K16-S18 VanDerWaalsContact C-N 3.28Å; K16-S18 PolarHBondContact O-N 3.43Å
17F52.4Low52.8Low169 Ų169140 Ų14074%0.74176%0.762SS**  trans-63.697.6162.4-71.6-83000106.4L15 S19L15-F17 HydrophobicContact CB-CD2 4.14Å; L15-F17 HydrophobicContact CB-CE2 3.89Å; L15-F17 HydrophobicContact CB-CZ 4.48Å; L15-F17 HydrophobicContact CD2-CD1 4.4Å; L15-F17 HydrophobicContact CD2-CD2 4.22Å; L15-F17 HydrophobicContact CD2-CE1 3.69Å; L15-F17 HydrophobicContact CD2-CE2 3.47Å; L15-F17 VanDerWaalsContact CD2-CE2 3.47Å; L15-F17 HydrophobicContact CD2-CZ 3.18Å; L15-F17 HydrophobicContact CG-CE2 4.32Å; L15-F17 HydrophobicContact CG-CZ 4.42Å; L15-F17 PolarHBondContact O-N 3.16Å; F17-S19 PolarHBondContact O-N 3.23Å
18S44.2Very low52.3Low101 Ų101141.8 Ų141.871%0.70677%0.767SS**  trans-66.995.8161.6-151.90000105.7K16 D20K16-S18 VanDerWaalsContact C-N 3.28Å; K16-S18 PolarHBondContact O-N 3.43Å; S18-D20 PolarHBondContact O-N 2.79Å
19S50.8Low52.2Low110 Ų110141 Ų14177%0.76977%0.768SS**  trans-76.670.2166.957.20000107.7F17 S21F17-S19 PolarHBondContact O-N 3.23Å; S19-S21 PolarHBondContact O-N 2.73Å; S19-S21 VanDerWaalsContact O-N 3.12Å
20D52.7Low52.3Low123 Ų123138.8 Ų138.866%0.65876%0.762SS**  trans-70.2107162.7-96.3-54000107.1S18 R22S18-D20 PolarHBondContact O-N 2.79Å; D20-R22 PolarHBondContact O-N 2.88Å
21S52.5Low52.3Low116 Ų116138.3 Ų138.381%0.81176%0.76SS**  trans-71.651.4-176.855.50000112.4S19S19-S21 PolarHBondContact O-N 2.73Å; S19-S21 VanDerWaalsContact O-N 3.12Å
22R54.1Low52.5Low214 Ų214139.1 Ų139.181%0.80876%0.764SS**PPolyproline II helixtrans-100.9118.5164.8-67.8-173.1-155.2-171.26.2108.6D20D20-R22 PolarHBondContact O-N 2.88Å
23P58.9Low52.2Low118 Ų118136.3 Ų136.377%0.76676%0.758SS**PPolyproline II helixtrans-59.1130.8172.424.2-30.2000108.3
24P54.2Low52.2Low100 Ų100134.1 Ų134.165%0.64976%0.755SS**PPolyproline II helixtrans-61.1141.9178.524.6-32.3000109.5S26P24-S26 PolarHBondContact O-N 3.18Å
25P52.8Low52.4Low116 Ų116140.4 Ų140.475%0.75377%0.765SS**PPolyproline II helixtrans-57.7137.217525.4-32.6000109.2G27P25-G27 PolarHBondContact O-N 2.82Å
26S51.6Low52.5Low126 Ų126145.2 Ų145.288%0.88177%0.774SS**THydrogen-bonded Turntrans-34.2115-179.556.70000113.6P24P24-S26 PolarHBondContact O-N 3.18Å
27G52.9Low52.6Low70 Ų70147.1 Ų147.172%0.72278%0.775SS**THydrogen-bonded Turntrans149.2-25.9163.400000116.3P25 V29P25-G27 PolarHBondContact O-N 2.82Å; G27-V29 PolarHBondContact O-N 3.4Å; G27-V29 VanDerWaalsContact O-N 3.17Å
28E46.1Very low52.8Low175 Ų175147.6 Ų147.682%0.81879%0.785SS**  trans-9187.8-178.2-67.8-169.2-178.100111.3S30E28-S30 PolarHBondContact O-N 2.86Å
29V50.8Low53.3Low134 Ų134147.4 Ų147.481%0.81278%0.783SS**  trans-55.3106.9167.7-77.90000109.9G27 K31G27-V29 PolarHBondContact O-N 3.4Å; G27-V29 VanDerWaalsContact O-N 3.17Å; V29-K31 PolarHBondContact O-N 3.13Å
30S53.7Low53.3Low81 Ų81154 Ų15457%0.56679%0.791SS**  trans-48.1124174.8178.40000110.7E28 F32 S33E28-S30 PolarHBondContact O-N 2.86Å; S30-F32 PolarHBondContact O-N 3.25Å; S30-S33 PolarHBondContact O-N 3.46Å
31K59.7Low53.5Low187 Ų187157 Ų15781%0.81380%0.799SS**THydrogen-bonded Turntrans-55.3-5.1178.3-71.5175.2178.7172.60114.2V29 S33V29-K31 PolarHBondContact O-N 3.13Å; K31-S33 VanDerWaalsContact C-N 3.28Å
32F53.9Low53.4Low190 Ų190160.7 Ų160.783%0.83380%0.8SS**THydrogen-bonded Turntrans-79.6-3.5171.4-74.1-81000114.5S30 L34S30-F32 PolarHBondContact O-N 3.25Å; F32-L34 PolarHBondContact O-N 3.05Å; F32-L34 VanDerWaalsContact O-N 3.1Å
33S48.7Very low53.3Low100 Ų100156.8 Ų156.870%0.69980%0.795SS**  trans-78.827.6168.2-168.70000113.8S30 K31 R35S30-S33 PolarHBondContact O-N 3.46Å; K31-S33 VanDerWaalsContact C-N 3.28Å; S33-R35 PolarHBondContact O-N 3.29Å; S33-R35 VanDerWaalsContact O-N 3.14Å
34L52.2Low53.3Low161 Ų161156.1 Ų156.184%0.84379%0.791SS**  trans-74.813.3171.4-81.4169.1000113.6F32F32-L34 PolarHBondContact O-N 3.05Å; F32-L34 VanDerWaalsContact O-N 3.1Å
35R57.1Low53.4Low223 Ų223157.8 Ų157.884%0.84280%0.795SS**SBendtrans-111.5119.8171.8-77.9179.7142.9-147.1-4.9109.3S33S33-R35 PolarHBondContact O-N 3.29Å; S33-R35 VanDerWaalsContact O-N 3.14Å
36R54.5Low53.5Low233 Ų233161.8 Ų161.888%0.87980%0.8SS**SBendtrans97.167154.2-156.3-165.8-52.1-174.53.1117.1
37R50.2Low53.3Low242 Ų242162.2 Ų162.291%0.91379%0.793SS**  trans-149.155.5140.1-70.8-160.1132.9176.7-5.5112.1S39R37-S39 PolarHBondContact O-N 2.86Å
38L57.7Low53.5Low179 Ų179165.3 Ų165.394%0.93780%0.797SS**  trans-75.675.2147.8-69.2173.6000105.8R40L38-R40 PolarHBondContact O-N 3.34Å
39S54.3Low53.9Low97 Ų97162.8 Ų162.868%0.67879%0.789SS**  trans-65.6132169.467.80000106.9R37 K41R37-S39 PolarHBondContact O-N 2.86Å; S39-K41 VanDerWaalsContact C-N 3.28Å; S39-K41 PolarHBondContact O-N 3.43Å
40R51.7Low53.8Low248 Ų248163.5 Ų163.594%0.93678%0.782SS**  trans-57.885.2179.5-63.2170.2168.6-179.6-5.7109.8L38 K42L38-R40 PolarHBondContact O-N 3.34Å; R40-K42 PolarHBondContact O-N 2.88Å
41K56.5Low53.6Low186 Ų186168.9 Ų168.981%0.80980%0.795SS**  trans-89.998.8163.4-154.8169.6-177.8-177.60106.2S39 N43S39-K41 VanDerWaalsContact C-N 3.28Å; S39-K41 PolarHBondContact O-N 3.43Å; K41-N43 PolarHBondContact O-N 3.4Å
42K49.6Very low53.1Low195 Ų195166 Ų16685%0.84880%0.798SS**  trans-50.9119.2171.3-66.1-178175.5-1740107.4R40 P44R40-K42 PolarHBondContact O-N 2.88Å; K42-P44 VanDerWaalsContact O-CD 3.29Å; K42-P44 WeakPolarHBondContact O-CD 3.36Å
43N52.8Low52.8Low131 Ų131160.5 Ų160.570%0.70180%0.795SS**  trans-84.4112.1165.4-81.1-47000106.7K41 D45K41-N43 PolarHBondContact O-N 3.4Å; N43-D45 PolarHBondContact O-N 2.75Å
44P57.4Low52.8Low104 Ų104164.2 Ų164.268%0.67580%0.799SS**G310 helixtrans-76.3-3.1177.430.2-33.6000114.1K42 F46K42-P44 VanDerWaalsContact O-CD 3.29Å; K42-P44 WeakPolarHBondContact O-CD 3.36Å; P44-F46 PolarHBondContact O-N 3.44Å; P44-F46 VanDerWaalsContact O-N 3.1Å
45D57.4Low52.7Low136 Ų136164.4 Ų164.473%0.72780%0.801SS**G310 helixtrans-74.12.8-177.6-63.8-34.8000115.1N43N43-D45 PolarHBondContact O-N 2.75Å
46F53.9Low52Low199 Ų199162 Ų16287%0.87380%0.799SS**G310 helixtrans-114.222179.6-91.9-83.1000113.5P44P44-F46 PolarHBondContact O-N 3.44Å; P44-F46 VanDerWaalsContact O-N 3.1Å
47D47.9Very low51.3Low135 Ų135153.9 Ų153.972%0.72279%0.787SS**  trans-100.565.4169.8-151.80.4000110.2D49D47-D49 VanDerWaalsContact C-N 3.33Å
48V56.8Low51Low135 Ų135152.3 Ų152.382%0.81879%0.787SS**  trans-102.166.5165.6-1710000107.4K50V48-K50 PolarHBondContact O-N 3.36Å
49D55.5Low50.2Low122 Ų122153.5 Ų153.565%0.65279%0.788SS**  trans-71.5116.3168.3-146.28.7000108D47D47-D49 VanDerWaalsContact C-N 3.33Å
50K49.2Very low49.5Very low149 Ų149152.5 Ų152.565%0.64879%0.793SS**  trans106.1103.4149.9-49.2-155.9-175.9179.90120.9V48V48-K50 PolarHBondContact O-N 3.36Å
51K48.8Very low49.2Very low195 Ų195145.4 Ų145.485%0.84879%0.787SS**  60.6119127.3-54.7-172.1-177.5-174.70117.2
52S49.5Very low48.8Very low126 Ų126142 Ų14288%0.88179%0.793SS**  -163132.668.7510000111.8
53G46.9Very low48.6Very low74 Ų74136.1 Ų136.176%0.76379%0.789SS**  trans-166.367.2174.500000107.9D55G53-D55 VanDerWaalsContact C-N 3.3Å; G53-D55 PolarHBondContact O-N 2.99Å
54K48Very low48.6Very low179 Ų179133.7 Ų133.778%0.77879%0.787SS**  trans-95.352.4-172.6-149.3-165-165.7-168.90109.8Q56K54-Q56 VanDerWaalsContact C-N 3.26Å; K54-Q56 PolarHBondContact O-N 3.04Å; K54-Q56 VanDerWaalsContact O-N 3.09Å
55D50.6Low48.4Very low165 Ų165133.2 Ų133.288%0.88279%0.786SS**  trans-86.278.3170.3-70.7-36000109.2G53 G57G53-D55 VanDerWaalsContact C-N 3.3Å; G53-D55 PolarHBondContact O-N 2.99Å; D55-G57 PolarHBondContact O-N 3.39Å
56Q42.5Very low48.4Very low173 Ų173133.8 Ų133.881%0.80878%0.784SS**  trans-72.1103.9159.2-72.5-177-1500107.9K54K54-Q56 VanDerWaalsContact C-N 3.26Å; K54-Q56 PolarHBondContact O-N 3.04Å; K54-Q56 VanDerWaalsContact O-N 3.09Å
57G40.8Very low48.3Very low62 Ų62133.1 Ų133.164%0.63978%0.777SS**  trans-16179.7-178.800000114D55D55-G57 PolarHBondContact O-N 3.39Å
58K42.3Very low48.8Very low208 Ų208137.1 Ų137.190%0.90478%0.782SS**  trans61.592.9148.3-52.2-176.7-178.4-177.20117.4
59Q42.5Very low49Very low205 Ų205143 Ų14396%0.95879%0.79SS**  trans-139.8100.5141.6-104.7171.5-0.100109
60G39.3Very low49.2Very low75 Ų75140.7 Ų140.777%0.77379%0.794SS**  trans-83.2176.1169.600000112
61A44.5Very low49.8Very low100 Ų100137 Ų13783%0.82679%0.787SS**  trans77.779.3165.300000117.6G63A61-G63 PolarHBondContact O-N 3.03Å
62A49.7Very low50.6Low113 Ų113135.8 Ų135.893%0.93478%0.782SS**  36.973.8119.900000117.8
63G45Very low51.4Low73 Ų73135.9 Ų135.975%0.75377%0.772SS**  trans-111.6106.1157.100000109A61 S65A61-G63 PolarHBondContact O-N 3.03Å; G63-S65 PolarHBondContact O-N 2.78Å
64A52.5Low52.3Low80 Ų80141.5 Ų141.566%0.66177%0.771SS**  trans-50.2123-168.100000114.3H66A64-H66 PolarHBondContact O-N 3.28Å; A64-H66 PolarHBondContact O-ND1 3.21Å
65S52.9Low53.5Low94 Ų94143.2 Ų143.266%0.65777%0.773SS**  trans-30.692.9159.7-179.30000112.9G63 Y67G63-S65 PolarHBondContact O-N 2.78Å; S65-Y67 VanDerWaalsContact C-N 3.27Å
66H56.8Low54.3Low148 Ų148142.3 Ų142.369%0.68577%0.767SS**  trans-98.334.1165.5-84.866000110.8A64 R68A64-H66 PolarHBondContact O-N 3.28Å; A64-H66 PolarHBondContact O-ND1 3.21Å; H66-R68 VanDerWaalsContact C-N 3.26Å; H66-R68 PolarHBondContact O-N 3.09Å
67Y51.9Low55.6Low184 Ų184139.4 Ų139.472%0.72276%0.757SS**  trans-77.676.4168.2-59.4-77.8000109.4S65 R69S65-Y67 VanDerWaalsContact C-N 3.27Å; Y67-R69 PolarHBondContact O-N 3.35Å
68R59.7Low56.7Low219 Ų219142.4 Ų142.483%0.82677%0.768SS**  trans-65.7107.3154.9-81.2-169.6178.8-133.81.2106.2H66 G70 S71H66-R68 VanDerWaalsContact C-N 3.26Å; H66-R68 PolarHBondContact O-N 3.09Å; R68-G70 PolarHBondContact O-N 3.02Å; R68-S71 PolarHBondContact O-N 2.94Å; R68-S71 PolarHBondContact O-OG 3.49Å
69R60.9Low57.8Low260 Ų260138.9 Ų138.998%0.98176%0.759SS**THydrogen-bonded Turntrans-47.196.3176-170.5176.6-178.6173.10.4109.2Y67Y67-R69 PolarHBondContact O-N 3.35Å
70G58.5Low58.7Low72 Ų72132.2 Ų132.274%0.74274%0.738SS**THydrogen-bonded Turntrans137.1-21.6-177.400000116.2R68 F72R68-G70 PolarHBondContact O-N 3.02Å; G70-F72 PolarHBondContact O-N 2.92Å
71S62.1Low59.5Low71 Ų71137 Ų13750%0.49774%0.741SS.*  trans-95.797172.159.40000110.1R68 L73R68-S71 PolarHBondContact O-N 2.94Å; R68-S71 PolarHBondContact O-OG 3.49Å; S71-L73 PolarHBondContact O-N 2.97Å
72F65.2Low60.2Low170 Ų170139 Ų13975%0.74674%0.737SS**  trans-71-1.5170.258.7-90.3000113.2G70 Y74G70-F72 PolarHBondContact O-N 2.92Å; F72-Y74 PolarHBondContact O-N 3.46Å
73L66.2Low60.6Low128 Ų128138.3 Ų138.367%0.6772%0.723SS**  trans-81.5100.9-178.2-64.8174.6000109.2S71 R75S71-L73 PolarHBondContact O-N 2.97Å; L73-R75 PolarHBondContact O-N 3.18Å
74Y67.5Low60.9Low193 Ų193144.1 Ų144.176%0.75773%0.73SS**  trans-59.5127.8161-71.6-90.5000108.1F72 I76F72-Y74 PolarHBondContact O-N 3.46Å; Y74-I76 PolarHBondContact O-N 3.35Å
75R71.4Confident60.7Low215 Ų215143.2 Ų143.281%0.81173%0.729SS**  trans-71.6119164-61.6-174-162.9-172.55.9105.6L73 D77L73-R75 PolarHBondContact O-N 3.18Å; R75-D77 PolarHBondContact O-N 3.33Å
76I67.7Low60.5Low146 Ų146142 Ų14275%0.74972%0.724SS**  trans-81.8111.7171.9-58.6172.5000105.1Y74 S78Y74-I76 PolarHBondContact O-N 3.35Å; I76-S78 PolarHBondContact O-N 3.3Å; I76-S78 VanDerWaalsContact O-N 3.16Å
77D69.9Low60.1Low112 Ų112140.1 Ų140.160%0.59972%0.723SS**  trans-60.8116.6169.9-66.1-32.4000107.1R75 D79 A80R75-D77 PolarHBondContact O-N 3.33Å; D77-D79 WeakPolarHBondContact CB-OD1 3.34Å; D77-D79 PolarHBondContact O-N 3.45Å; D77-A80 WeakPolarHBondContact O-CB 3.45Å; D77-A80 PolarHBondContact O-N 3.36Å
78S64.9Low60Low124 Ų124139.6 Ų139.687%0.86772%0.72SS**THydrogen-bonded Turntrans-71.4-16.9-169-37.70000112.5I76I76-S78 PolarHBondContact O-N 3.3Å; I76-S78 VanDerWaalsContact O-N 3.16Å
79D65.8Low59.5Low135 Ų135137 Ų13772%0.72272%0.717SS**THydrogen-bonded Turntrans-93.6-3.1179.163.6-28.4000112.8D77 E81D77-D79 WeakPolarHBondContact CB-OD1 3.34Å; D77-D79 PolarHBondContact O-N 3.45Å; D79-E81 PolarHBondContact O-N 3.28Å
80A60.6Low59Low64 Ų64127.3 Ų127.353%0.52969%0.689SS.*SBendtrans-65.491.4161.900000107.2D77 L82D77-A80 WeakPolarHBondContact O-CB 3.45Å; D77-A80 PolarHBondContact O-N 3.36Å; A80-L82 PolarHBondContact O-N 3.41Å
81E56.1Low58.6Low177 Ų177127.8 Ų127.883%0.82768%0.675SS**  trans-50.496.5166.5-68.8-176.1175.400107.2D79 P83D79-E81 PolarHBondContact O-N 3.28Å; E81-P83 WeakPolarHBondContact O-CD 3.35Å; E81-P83 VanDerWaalsContact O-N 3.07Å
82L58.9Low58Low141 Ų141133 Ų13374%0.73869%0.691SS**  trans-54.2118.6168.1-83.9157000104.9A80 H84A80-L82 PolarHBondContact O-N 3.41Å; L82-H84 PolarHBondContact O-N 3.17Å
83P57.2Low57.3Low99 Ų99132.5 Ų132.564%0.64369%0.691SS**  trans-58.1108.7-177.121-31.5000107.8E81 G85 A86E81-P83 WeakPolarHBondContact O-CD 3.35Å; E81-P83 VanDerWaalsContact O-N 3.07Å; P83-G85 PolarHBondContact O-N 3.38Å; P83-A86 HydrophobicContact CG-CB 4.5Å; P83-A86 PolarHBondContact O-N 3.31Å
84H52.8Low56.4Low194 Ų194134.9 Ų134.990%0.89869%0.691SS**THydrogen-bonded Turntrans-62.81.3177.4-68.7-63.2000112.6L82L82-H84 PolarHBondContact O-N 3.17Å
85G47.1Very low55.5Low62 Ų62133 Ų13364%0.63969%0.694SS**THydrogen-bonded Turntrans-114.26179.400000115.6P83 T87P83-G85 PolarHBondContact O-N 3.38Å; G85-T87 PolarHBondContact O-N 3.45Å; G85-T87 PolarHBondContact O-OG1 2.91Å
86A49.1Very low54.5Low67 Ų67130.4 Ų130.455%0.55469%0.692SS**  trans-7578165.700000108.4P83 R88P83-A86 HydrophobicContact CG-CB 4.5Å; P83-A86 PolarHBondContact O-N 3.31Å; A86-R88 PolarHBondContact O-N 3.16Å
87T47.8Very low53.7Low110 Ų110129.7 Ų129.768%0.67569%0.688SS**  trans-46.1107167.2-27.60000106.8G85 H89G85-T87 PolarHBondContact O-N 3.45Å; G85-T87 PolarHBondContact O-OG1 2.91Å; T87-H89 PolarHBondContact O-CD2 2.94Å; T87-H89 PolarHBondContact O-N 3.42Å
88R49.9Very low52.6Low173 Ų173126.8 Ų126.865%0.65369%0.685SS**  trans-68.985-176.2-68.7178.7171.2-163.71.4108A86 S90 D91A86-R88 PolarHBondContact O-N 3.16Å; R88-S90 PolarHBondContact O-N 2.88Å; R88-D91 HydrophobicContact CB-CB 4.28Å; R88-D91 WeakPolarHBondContact CB-OD2 3.35Å; R88-D91 WeakPolarHBondContact CD-OD2 3.19Å; R88-D91 PolarHBondContact O-N 3.45Å
89H49.1Very low52Low163 Ų163127.6 Ų127.676%0.75568%0.679SS**THydrogen-bonded Turntrans-57-10170.9-76-74.9000112.4T87T87-H89 PolarHBondContact O-CD2 2.94Å; T87-H89 PolarHBondContact O-N 3.42Å
90S51.4Low51.4Low57 Ų57126.7 Ų126.740%0.39967%0.674SS.*THydrogen-bonded Turntrans-88.3-11.6172.561.50000115.8R88 Q92 Q93 R94R88-S90 PolarHBondContact O-N 2.88Å; S90-Q92 PolarHBondContact O-N 3.13Å; S90-Q93 PolarHBondContact O-N 3.43Å; S90-R94 PolarHBondContact O-N 3.18Å
91D50.3Low51.3Low82 Ų82127 Ų12744%0.43967%0.669SS.*THydrogen-bonded Turntrans-71.1-17.2179-72.7-11.6000111.7R88R88-D91 HydrophobicContact CB-CB 4.28Å; R88-D91 WeakPolarHBondContact CB-OD2 3.35Å; R88-D91 WeakPolarHBondContact CD-OD2 3.19Å; R88-D91 PolarHBondContact O-N 3.45Å
92Q49.2Very low51.3Low182 Ų182124.9 Ų124.985%0.8566%0.658SS**THydrogen-bonded Turntrans-77.2-13.3171.7-76.7-177-19.600114.5S90S90-Q92 PolarHBondContact O-N 3.13Å
93Q51.1Low51.1Low159 Ų159120 Ų12074%0.74363%0.634SS**THydrogen-bonded Turntrans-118.80177.5-71.6-168-17.700114.5S90S90-Q93 PolarHBondContact O-N 3.43Å
94R46.6Very low51.2Low177 Ų177123.3 Ų123.367%0.66863%0.634SS**THydrogen-bonded Turntrans-90.4-6.4-172.4-101.2-176.6167.2-170.9-2.6116.8S90S90-R94 PolarHBondContact O-N 3.18Å
95N48.8Very low51.5Low154 Ų154118 Ų11882%0.82461%0.612SS**THydrogen-bonded Turntrans-90.9-7.2-176.9-73.1-12000115.6
96E50.1Low52.1Low161 Ų161120.3 Ų120.375%0.75260%0.601SS**THydrogen-bonded Turntrans-121.4-20.6-179.9-65.2-167.7176.700115.7
97L50.5Low52.2Low130 Ų130118.3 Ų118.368%0.68158%0.581SS**SBendtrans-101.3-8.7-173-78.3162000116.2T101L97-T101 WeakPolarHBondContact O-CB 3.48Å; L97-T101 PolarHBondContact O-OG1 3.1Å
98G47.4Very low52.7Low51 Ų51117 Ų11753%0.52657%0.568SS.*SBendtrans-92.5-54.6-173.800000114.9F102G98-F102 PolarHBondContact O-N 3.3Å
99L52.1Low53.1Low141 Ų141118.7 Ų118.774%0.73857%0.574SS**Hα-helixtrans-80.8-38.8-173.2-75.7165.6000112.1F102 C103L99-F102 PolarHBondContact O-N 3.5Å; L99-C103 VanDerWaalsContact O-CB 3.26Å; L99-C103 WeakPolarHBondContact O-CB 3.18Å; L99-C103 PolarHBondContact O-N 3.17Å; L99-C103 PolarHBondContact O-SG 3.08Å
100D54.1Low53.3Low116 Ų116118.5 Ų118.562%0.6257%0.567SS**Hα-helixtrans-66.1-43.8178.8-77.7-11.6000111.4F102 C103 R104D100-F102 PolarHBondContact O-N 3.08Å; D100-C103 PolarHBondContact O-N 2.98Å; D100-R104 WeakPolarHBondContact O-CB 3.2Å; D100-R104 PolarHBondContact O-N 3.28Å
101T57.2Low53.4Low70 Ų70119.3 Ų119.343%0.42956%0.563SS.*Hα-helixtrans-65.3-42.9178.4-38.30000111.6L97 R104 L105L97-T101 WeakPolarHBondContact O-CB 3.48Å; L97-T101 PolarHBondContact O-OG1 3.1Å; T101-R104 PolarHBondContact O-N 3.19Å; T101-L105 WeakPolarHBondContact O-CB 3.43Å; T101-L105 PolarHBondContact O-N 3.47Å
102F56.2Low53.4Low134 Ų134117.3 Ų117.359%0.58856%0.562SS**Hα-helixtrans-67.8-43178.1-175.8-99.2000112.4G98 L99 D100 R106G98-F102 PolarHBondContact O-N 3.3Å; L99-F102 PolarHBondContact O-N 3.5Å; D100-F102 PolarHBondContact O-N 3.08Å; F102-R106 VanDerWaalsContact O-CB 3.25Å; F102-R106 WeakPolarHBondContact O-CB 3.13Å; F102-R106 PolarHBondContact O-N 3.37Å
103C55.3Low53.8Low37 Ų37116.2 Ų116.225%0.2556%0.562CS.*Hα-helixtrans-66-40.9176.7-68.50000111.3L99 D100 R106 N107L99-C103 VanDerWaalsContact O-CB 3.26Å; L99-C103 WeakPolarHBondContact O-CB 3.18Å; L99-C103 PolarHBondContact O-N 3.17Å; L99-C103 PolarHBondContact O-SG 3.08Å; D100-C103 PolarHBondContact O-N 2.98Å; C103-R106 PolarHBondContact O-N 3.48Å; C103-N107 WeakPolarHBondContact O-CB 3.03Å; C103-N107 PolarHBondContact O-N 2.64Å; C103-N107 PolarHBondContact O-ND2 3.45Å
104R58.7Low53.8Low170 Ų170117.5 Ų117.564%0.64256%0.56SS**Hα-helixtrans-62.3-51.3175.3-176.7175.6175.9164.41.5111.6D100 T101 R106 N107 E108D100-R104 WeakPolarHBondContact O-CB 3.2Å; D100-R104 PolarHBondContact O-N 3.28Å; T101-R104 PolarHBondContact O-N 3.19Å; R104-R106 PolarHBondContact O-N 3.36Å; R104-N107 PolarHBondContact O-N 3.4Å; R104-N107 VanDerWaalsContact O-N 3.16Å; R104-E108 HydrophobicContact CG-CG 4.46Å; R104-E108 WeakPolarHBondContact CG-OE1 3.33Å; R104-E108 IonicContact CZ-OE1 3.95Å; R104-E108 IonicContact NE-OE1 3.05Å; R104-E108 PolarHBondContact NE-OE1 3.04Å; R104-E108 IonicContact NH2-OE1 3.95Å; R104-E108 WeakPolarHBondContact O-CB 3.45Å; R104-E108 WeakPolarHBondContact O-CG 3.26Å; R104-E108 PolarHBondContact O-N 2.91Å
105L59.4Low54.2Low83 Ų83115.1 Ų115.144%0.43557%0.567SS.*Hα-helixtrans-60.9-36.7178.9-141.792.3000111.8T101 R109T101-L105 WeakPolarHBondContact O-CB 3.43Å; T101-L105 PolarHBondContact O-N 3.47Å; L105-R109 WeakPolarHBondContact O-CB 3.41Å; L105-R109 WeakPolarHBondContact O-CG 3.45Å; L105-R109 PolarHBondContact O-N 3.01Å
106R59.5Low54.6Low109 Ų109114.8 Ų114.841%0.41157%0.566SS.*Hα-helixtrans-72.2-38.1177.7-170.6176.9-177.4167.52.9112.3F102 C103 R104 R110 I120F102-R106 VanDerWaalsContact O-CB 3.25Å; F102-R106 WeakPolarHBondContact O-CB 3.13Å; F102-R106 PolarHBondContact O-N 3.37Å; C103-R106 PolarHBondContact O-N 3.48Å; R104-R106 PolarHBondContact O-N 3.36Å; R106-R110 PolarHBondContact O-N 3.5Å; R106-I120 HydrophobicContact CG-CD1 4.03Å
107N51.2Low54.6Low25 Ų25108.7 Ų108.713%0.13454%0.543CS..Hα-helixtrans-66.3-47.2174.6-74.4-22.3000110.6C103 R104 R109 R110 F111 I120C103-N107 WeakPolarHBondContact O-CB 3.03Å; C103-N107 PolarHBondContact O-N 2.64Å; C103-N107 PolarHBondContact O-ND2 3.45Å; R104-N107 PolarHBondContact O-N 3.4Å; R104-N107 VanDerWaalsContact O-N 3.16Å; N107-R109 VanDerWaalsContact C-N 3.34Å; N107-R109 PolarHBondContact O-N 3.42Å; N107-R110 PolarHBondContact O-N 3.07Å; N107-F111 PolarHBondContact O-N 3.37Å; N107-I120 VanDerWaalsContact OD1-CD1 3.24Å; N107-I120 WeakPolarHBondContact OD1-CD1 3.38Å; N107-I120 WeakPolarHBondContact OD1-CG1 3.34Å; N107-I120 PolarHBondContact OD1-N 2.96Å
108E58.2Low54.9Low84 Ų84106.5 Ų106.539%0.39353%0.534SS..Hα-helixtrans-58.6-43.1176.7-73.7174.7-172.800111.6R104 R110 G112R104-E108 HydrophobicContact CG-CG 4.46Å; R104-E108 WeakPolarHBondContact CG-OE1 3.33Å; R104-E108 IonicContact CZ-OE1 3.95Å; R104-E108 IonicContact NE-OE1 3.05Å; R104-E108 PolarHBondContact NE-OE1 3.04Å; R104-E108 IonicContact NH2-OE1 3.95Å; R104-E108 WeakPolarHBondContact O-CB 3.45Å; R104-E108 WeakPolarHBondContact O-CG 3.26Å; R104-E108 PolarHBondContact O-N 2.91Å; E108-R110 PolarHBondContact O-N 3.46Å; E108-G112 VanDerWaalsContact O-CA 3.3Å; E108-G112 WeakPolarHBondContact O-CA 3.25Å; E108-G112 PolarHBondContact O-N 3.2Å
109R58.9Low55.3Low207 Ų207107 Ų10778%0.78153%0.528SS*.Hα-helixtrans-67.1-31.4177.2-78.3-174.3-168.8-160.65.1114.4L105 N107L105-R109 WeakPolarHBondContact O-CB 3.41Å; L105-R109 WeakPolarHBondContact O-CG 3.45Å; L105-R109 PolarHBondContact O-N 3.01Å; N107-R109 VanDerWaalsContact C-N 3.34Å; N107-R109 PolarHBondContact O-N 3.42Å
110R53.7Low55.5Low160 Ų160101.9 Ų101.960%0.60450%0.501SS*.Hα-helixtrans-90.5-36.4-176.3-79.9-169.6174.2-163.2-3.7113.2R106 N107 E108R106-R110 PolarHBondContact O-N 3.5Å; N107-R110 PolarHBondContact O-N 3.07Å; E108-R110 PolarHBondContact O-N 3.46Å
111F53.3Low55.6Low73 Ų7399.5 Ų99.532%0.3249%0.491SS..Hα-helixtrans-112.4-9.4-171.6-60.4-73.1000113.5N107 R114 A117N107-F111 PolarHBondContact O-N 3.37Å; F111-R114 WeakPolarHBondContact O-CB 3.43Å; F111-R114 WeakPolarHBondContact O-CD 3.18Å; F111-R114 WeakPolarHBondContact O-CG 3.24Å; F111-A117 HydrophobicContact CB-CB 3.41Å; F111-A117 VanDerWaalsContact CB-CB 3.41Å; F111-A117 HydrophobicContact CD1-CB 4.38Å; F111-A117 HydrophobicContact CD2-CB 4.12Å; F111-A117 HydrophobicContact CG-CB 3.73Å
112G50.8Low55.5Low40 Ų4098.1 Ų98.141%0.41249%0.487SS..  trans57.6-172.7-169.300000110.8E108 R114E108-G112 VanDerWaalsContact O-CA 3.3Å; E108-G112 WeakPolarHBondContact O-CA 3.25Å; E108-G112 PolarHBondContact O-N 3.2Å; G112-R114 PolarHBondContact O-N 2.8Å
113N56.3Low55.4Low160 Ų16096.3 Ų96.386%0.85648%0.482SS*.SBendtrans-70.947.9172.9-68-24.2000111.8P115N113-P115 WeakPolarHBondContact O-CD 3.34Å
114R51.9Low55.5Low186 Ų18698.8 Ų98.870%0.70250%0.495SS*.  trans-81.9116.8169.7-75.2-177179.4-156.8-1.4107.7F111 G112 D116 A117F111-R114 WeakPolarHBondContact O-CB 3.43Å; F111-R114 WeakPolarHBondContact O-CD 3.18Å; F111-R114 WeakPolarHBondContact O-CG 3.24Å; G112-R114 PolarHBondContact O-N 2.8Å; R114-D116 PolarHBondContact O-N 2.95Å; R114-D116 VanDerWaalsContact O-N 3.13Å; R114-A117 WeakPolarHBondContact O-CB 3.38Å; R114-A117 PolarHBondContact O-N 3.32Å; R114-A117 VanDerWaalsContact O-N 3.15Å
115P55.4Low55.3Low126 Ų12698.5 Ų98.582%0.81850%0.495SS*.THydrogen-bonded Turntrans-62.1-20.1-179.924.3-33000113N113 A117N113-P115 WeakPolarHBondContact O-CD 3.34Å; P115-A117 VanDerWaalsContact C-N 3.32Å; P115-A117 PolarHBondContact O-N 3.47Å
116D56.9Low55.1Low148 Ų148103.1 Ų103.179%0.79151%0.507SS*.THydrogen-bonded Turntrans-88.57.7179.5-55.8-33.6000114.1R114 V118R114-D116 PolarHBondContact O-N 2.95Å; R114-D116 VanDerWaalsContact O-N 3.13Å; D116-V118 PolarHBondContact O-N 2.96Å
117A48.8Very low54.6Low32 Ų32106.3 Ų106.326%0.26452%0.519SS..  trans-73.195179.300000110.7F111 R114 P115 P119F111-A117 HydrophobicContact CB-CB 3.41Å; F111-A117 VanDerWaalsContact CB-CB 3.41Å; F111-A117 HydrophobicContact CD1-CB 4.38Å; F111-A117 HydrophobicContact CD2-CB 4.12Å; F111-A117 HydrophobicContact CG-CB 3.73Å; R114-A117 WeakPolarHBondContact O-CB 3.38Å; R114-A117 PolarHBondContact O-N 3.32Å; R114-A117 VanDerWaalsContact O-N 3.15Å; P115-A117 VanDerWaalsContact C-N 3.32Å; P115-A117 PolarHBondContact O-N 3.47Å; A117-P119 WeakPolarHBondContact O-CD 3.46Å; A117-P119 VanDerWaalsContact O-N 3.09Å
118V57.5Low54.8Low84 Ų84109.4 Ų109.451%0.50954%0.538SS..  trans-53.5117.4169.7177.90000108.2D116 I120 A122 M123D116-V118 PolarHBondContact O-N 2.96Å; V118-I120 PolarHBondContact O-N 3.1Å; V118-A122 HydrophobicContact CG1-CB 3.54Å; V118-M123 HydrophobicContact CG1-CG 4.37Å
119P56.2Low54.6Low61 Ų61111.9 Ų111.940%0.39655%0.55SS.*  trans-58.4140.6-17922-31.4000109A117 T121 A122 M123A117-P119 WeakPolarHBondContact O-CD 3.46Å; A117-P119 VanDerWaalsContact O-N 3.09Å; P119-T121 PolarHBondContact O-N 3.35Å; P119-A122 HydrophobicContact CG-CB 4.18Å; P119-A122 WeakPolarHBondContact O-CB 3.38Å; P119-A122 PolarHBondContact O-N 3.18Å; P119-M123 PolarHBondContact O-N 3.32Å
120I57Low54.3Low34 Ų34107 Ų10717%0.17454%0.539CS..Hα-helixtrans-48.3-33.5178.6-72.5163.8000111.7R106 N107 V118 A122 M123 V124R106-I120 HydrophobicContact CG-CD1 4.03Å; N107-I120 VanDerWaalsContact OD1-CD1 3.24Å; N107-I120 WeakPolarHBondContact OD1-CD1 3.38Å; N107-I120 WeakPolarHBondContact OD1-CG1 3.34Å; N107-I120 PolarHBondContact OD1-N 2.96Å; V118-I120 PolarHBondContact O-N 3.1Å; I120-A122 VanDerWaalsContact C-N 3.33Å; I120-A122 PolarHBondContact O-N 3.04Å; I120-M123 HydrophobicContact CB-CE 4.35Å; I120-M123 HydrophobicContact CG1-CE 3.86Å; I120-M123 WeakPolarHBondContact O-CB 3.33Å; I120-M123 PolarHBondContact O-N 3.16Å; I120-M123 VanDerWaalsContact O-N 3.07Å; I120-V124 HydrophobicContact CG2-CG2 4.42Å; I120-V124 PolarHBondContact O-N 3.27Å
121T54.5Low54Low66 Ų66106 Ų10641%0.40554%0.539SS..Hα-helixtrans-52-47.7173.3-24.60000112.2P119 M123 V124 Y125P119-T121 PolarHBondContact O-N 3.35Å; T121-M123 VanDerWaalsContact C-N 3.34Å; T121-M123 PolarHBondContact O-N 2.86Å; T121-V124 PolarHBondContact O-N 3.41Å; T121-Y125 HydrophobicContact CG2-CD2 4.33Å; T121-Y125 HydrophobicContact CG2-CE2 3.92Å; T121-Y125 WeakPolarHBondContact O-CD2 3.3Å; T121-Y125 PolarHBondContact O-N 2.85Å; T121-Y125 VanDerWaalsContact O-N 3.08Å
122A56.7Low53.6Low41 Ų41107 Ų10734%0.33956%0.555SS.*Hα-helixtrans-67.8-29.817800000113.1V118 P119 I120 R126V118-A122 HydrophobicContact CG1-CB 3.54Å; P119-A122 HydrophobicContact CG-CB 4.18Å; P119-A122 WeakPolarHBondContact O-CB 3.38Å; P119-A122 PolarHBondContact O-N 3.18Å; I120-A122 VanDerWaalsContact C-N 3.33Å; I120-A122 PolarHBondContact O-N 3.04Å; A122-R126 WeakPolarHBondContact O-CB 3.29Å; A122-R126 PolarHBondContact O-N 2.8Å
123M54Low53.4Low97 Ų97110 Ų11048%0.47857%0.566SS.*Hα-helixtrans-68.6-37.8171.7-69.5-163.3-63.600112.5V118 P119 I120 T121 R126 R127V118-M123 HydrophobicContact CG1-CG 4.37Å; P119-M123 PolarHBondContact O-N 3.32Å; I120-M123 HydrophobicContact CB-CE 4.35Å; I120-M123 HydrophobicContact CG1-CE 3.86Å; I120-M123 WeakPolarHBondContact O-CB 3.33Å; I120-M123 PolarHBondContact O-N 3.16Å; I120-M123 VanDerWaalsContact O-N 3.07Å; T121-M123 VanDerWaalsContact C-N 3.34Å; T121-M123 PolarHBondContact O-N 2.86Å; M123-R126 PolarHBondContact O-N 3.5Å; M123-R127 PolarHBondContact O-N 3.27Å
124V57.4Low52.5Low88 Ų88110.1 Ų110.153%0.53356%0.562SS.*Hα-helixtrans-64.7-44.8175.9178.20000109.9I120 T121 R126 R127 V128I120-V124 HydrophobicContact CG2-CG2 4.42Å; I120-V124 PolarHBondContact O-N 3.27Å; T121-V124 PolarHBondContact O-N 3.41Å; V124-R126 PolarHBondContact O-N 2.87Å; V124-R127 PolarHBondContact O-N 3.41Å; V124-R127 VanDerWaalsContact O-N 3.17Å; V124-V128 PolarHBondContact O-N 3.28Å; V124-V128 VanDerWaalsContact O-N 3.08Å
125Y54.5Low51.9Low165 Ų165108.3 Ų108.365%0.64757%0.566SS**Hα-helixtrans-60.2-42.9174.4-78.7-69.8000112.7T121 R127 V128 Q129T121-Y125 HydrophobicContact CG2-CD2 4.33Å; T121-Y125 HydrophobicContact CG2-CE2 3.92Å; T121-Y125 WeakPolarHBondContact O-CD2 3.3Å; T121-Y125 PolarHBondContact O-N 2.85Å; T121-Y125 VanDerWaalsContact O-N 3.08Å; Y125-R127 VanDerWaalsContact C-N 3.28Å; Y125-R127 PolarHBondContact O-N 2.91Å; Y125-V128 PolarHBondContact O-N 3.06Å; Y125-Q129 PolarHBondContact O-N 3.43Å; Y125-Q129 VanDerWaalsContact O-N 3.1Å
126R54.7Low51.1Low179 Ų179109.3 Ų109.368%0.67556%0.559SS**Hα-helixtrans-63.2-34.4176.1-164.3177.2-173.1-164.32.2112.5A122 M123 V124 Q129 L130A122-R126 WeakPolarHBondContact O-CB 3.29Å; A122-R126 PolarHBondContact O-N 2.8Å; M123-R126 PolarHBondContact O-N 3.5Å; V124-R126 PolarHBondContact O-N 2.87Å; R126-Q129 PolarHBondContact O-N 3.1Å; R126-L130 PolarHBondContact O-N 3.18Å
127R48Very low50.2Low176 Ų176109.6 Ų109.666%0.66456%0.561SS**Hα-helixtrans-70.3-38.6177.7-165.2174.7-168.7174.12112M123 V124 Y125 L130 F131M123-R127 PolarHBondContact O-N 3.27Å; V124-R127 PolarHBondContact O-N 3.41Å; V124-R127 VanDerWaalsContact O-N 3.17Å; Y125-R127 VanDerWaalsContact C-N 3.28Å; Y125-R127 PolarHBondContact O-N 2.91Å; R127-L130 PolarHBondContact O-N 3.44Å; R127-F131 HydrophobicContact CG-CD2 4.22Å; R127-F131 HydrophobicContact CG-CE2 3.86Å; R127-F131 WeakPolarHBondContact O-CD2 3.39Å; R127-F131 PolarHBondContact O-N 2.98Å
128V55.4Low49.5Very low90 Ų90114 Ų11455%0.54559%0.59SS.*Hα-helixtrans-64.9-41.3175177.40000110.7V124 Y125 L130 F131 S132V124-V128 PolarHBondContact O-N 3.28Å; V124-V128 VanDerWaalsContact O-N 3.08Å; Y125-V128 PolarHBondContact O-N 3.06Å; V128-L130 PolarHBondContact O-N 3.26Å; V128-F131 PolarHBondContact O-N 3.05Å; V128-S132 PolarHBondContact O-N 3.15Å
129Q55Low48.4Very low136 Ų136113.3 Ų113.364%0.63660%0.599SS**Hα-helixtrans-61.8-39.1176.3-75.7-179.9-16.200113.5Y125 R126 F131 S132 T133Y125-Q129 PolarHBondContact O-N 3.43Å; Y125-Q129 VanDerWaalsContact O-N 3.1Å; R126-Q129 PolarHBondContact O-N 3.1Å; Q129-F131 VanDerWaalsContact C-N 3.33Å; Q129-F131 PolarHBondContact O-N 2.98Å; Q129-S132 WeakPolarHBondContact O-CB 3.21Å; Q129-S132 PolarHBondContact O-N 3.47Å; Q129-T133 PolarHBondContact O-N 2.95Å
130L53Low47.4Very low105 Ų105117.6 Ų117.655%0.5563%0.625SS.*Hα-helixtrans-69-28.4179.4-76.7166.4000113.6R126 R127 V128 S132 T133R126-L130 PolarHBondContact O-N 3.18Å; R127-L130 PolarHBondContact O-N 3.44Å; V128-L130 PolarHBondContact O-N 3.26Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-T133 PolarHBondContact O-N 3.39Å; L130-T133 PolarHBondContact O-OG1 2.89Å; L130-T133 VanDerWaalsContact O-OG1 3.13Å
131F45.8Very low46.4Very low138 Ų138119.8 Ų119.861%0.60565%0.648SS**Hα-helixtrans-75.7-23.2172.9-77.4-67.5000112.6R127 V128 Q129 T133R127-F131 HydrophobicContact CG-CD2 4.22Å; R127-F131 HydrophobicContact CG-CE2 3.86Å; R127-F131 WeakPolarHBondContact O-CD2 3.39Å; R127-F131 PolarHBondContact O-N 2.98Å; V128-F131 PolarHBondContact O-N 3.05Å; Q129-F131 VanDerWaalsContact C-N 3.33Å; Q129-F131 PolarHBondContact O-N 2.98Å; F131-T133 VanDerWaalsContact C-N 3.34Å
132S46.2Very low45.6Very low94 Ų94123.1 Ų123.166%0.65767%0.671SS**Hα-helixtrans-72.8-25170.9-66.50000113.2V128 Q129 L130V128-S132 PolarHBondContact O-N 3.15Å; Q129-S132 WeakPolarHBondContact O-CB 3.21Å; Q129-S132 PolarHBondContact O-N 3.47Å; L130-S132 VanDerWaalsContact C-N 3.33Å
133T46.7Very low44.3Very low105 Ų105125 Ų12564%0.64469%0.694SS**THydrogen-bonded Turntrans-92.44.5-177.656.80000114.7Q129 L130 F131Q129-T133 PolarHBondContact O-N 2.95Å; L130-T133 PolarHBondContact O-N 3.39Å; L130-T133 PolarHBondContact O-OG1 2.89Å; L130-T133 VanDerWaalsContact O-OG1 3.13Å; F131-T133 VanDerWaalsContact C-N 3.34Å
134Q37.4Very low43.2Very low162 Ų162123.8 Ų123.876%0.75771%0.706SS**THydrogen-bonded Turntrans-102.113.8175.2-76.2-144.5-38.300114.6
135N39.2Very low42.3Very low147 Ų147125.6 Ų125.679%0.78672%0.717SS**SBendtrans-114.730175.5-95.9-19.4000113.3
136E39.3Very low41.3Very low148 Ų148129.6 Ų129.669%0.69273%0.731SS**  trans-141.379.9164.3-68.3-156.3-172.600108.8
137D37.2Very low40.5Very low154 Ų154128.1 Ų128.182%0.82474%0.735SS**SBend-172.7140.2123.8-99.6-29.1000113.9
138S34.5Very low39.9Very low124 Ų124123.9 Ų123.987%0.86774%0.738SS**SBendtrans75.893.3166.472.40000117.7
139G34.7Very low39Very low69 Ų69127.8 Ų127.871%0.71175%0.747SS**  trans17456.1164.700000113.5A141G139-A141 VanDerWaalsContact C-N 3.35Å; G139-A141 PolarHBondContact O-N 2.97Å
140T34.3Very low38.2Very low152 Ų152127 Ų12793%0.93375%0.754SS**  trans-5093.6170-460000110.6
141A36.6Very low37.3Very low80 Ų80132.1 Ų132.166%0.66177%0.772SS**  trans-107132.5160.800000107.6G139 G143G139-A141 VanDerWaalsContact C-N 3.35Å; G139-A141 PolarHBondContact O-N 2.97Å; A141-G143 PolarHBondContact O-N 2.81Å
142P37.6Very low36.6Very low136 Ų136128.7 Ų128.788%0.88377%0.769SS**THydrogen-bonded Turntrans-78.4128.6-162.731.5-33.1000110.5
143G29.7Very low35.9Very low81 Ų81132.8 Ų132.884%0.83578%0.778SS**THydrogen-bonded Turntrans1240.6167.200000116.5A141A141-G143 PolarHBondContact O-N 2.81Å
144G30.8Very low35.3Very low70 Ų70133.6 Ų133.672%0.72279%0.788SS**  trans-83.2116.9179.200000113.5R146G144-R146 PolarHBondContact O-N 3.14Å
145V37.5Very low35.2Very low127 Ų127130.6 Ų130.677%0.7779%0.785SS**  trans-25.5120.7172.7-179.70000114.7I147V145-I147 HydrophobicContact CG1-CG1 4.23Å; V145-I147 PolarHBondContact O-N 3.1Å; V145-I147 VanDerWaalsContact O-N 3.13Å
146R33.5Very low34.8Very low248 Ų248130.6 Ų130.694%0.93678%0.784SS**  trans-69.7100171-65.6-174.4176-153.1-0.8109.8G144G144-R146 PolarHBondContact O-N 3.14Å
147I37.6Very low34.7Very low148 Ų148127.8 Ų127.876%0.75978%0.779SS**  trans-90.7109.9161.2-56.1-179.2000106.6V145 K149V145-I147 HydrophobicContact CG1-CG1 4.23Å; V145-I147 PolarHBondContact O-N 3.1Å; V145-I147 VanDerWaalsContact O-N 3.13Å; I147-K149 PolarHBondContact O-N 3.42Å
148A35.6Very low34.8Very low87 Ų87126.5 Ų126.572%0.71977%0.77SS**PPolyproline II helixtrans-60.9127.4177.600000110.1P150A148-P150 WeakPolarHBondContact O-CD 3.38Å
149K37.1Very low35Very low172 Ų172129.2 Ų129.275%0.74877%0.769SS**PPolyproline II helixtrans-58118.6175.5-63.5173.2176.1-174.30110I147I147-K149 PolarHBondContact O-N 3.42Å
150P38.6Very low35.2Very low120 Ų120129.9 Ų129.978%0.77976%0.763SS**PPolyproline II helixtrans-71.9136.9155.330.2-29.5000108A148 A152A148-P150 WeakPolarHBondContact O-CD 3.38Å; P150-A152 PolarHBondContact O-N 2.78Å
151F32.7Very low35.3Very low213 Ų213126.7 Ų126.793%0.93474%0.74SS**  trans-36.8130.7-179.6-101.7-110.7000114
152A32.4Very low35.6Very low65 Ų65132 Ų13254%0.53775%0.751SS.*  trans-77.9151.6173.800000111.7P150P150-A152 PolarHBondContact O-N 2.78Å
153H31.6Very low35.9Very low180 Ų180135 Ų13583%0.83375%0.75SS**  trans77.492.9154.5-49.1-63.8000119.7
154S33.6Very low36.6Very low123 Ų123133.9 Ų133.986%0.8673%0.733SS**  -148.581.7129.267.90000109.8
155S34.3Very low36.7Very low99 Ų99134.2 Ų134.269%0.69274%0.736SS**  trans-69.3125.5164.752.50000109.4
156L31.8Very low36.7Very low147 Ų147133.9 Ų133.977%0.7773%0.729SS**  trans89.3143.9156.8-54.3171.1000117.4
157P37.3Very low36.8Very low89 Ų89126.4 Ų126.458%0.57871%0.714SS**  cis-125.2132.220.235.2-17.5000115Q159P157-Q159 PolarHBondContact O-N 3.2Å
158I38.4Very low37.1Very low126 Ų126127 Ų12765%0.64672%0.718SS**THydrogen-bonded Turntrans-71.924.3169.2-61.9169.3000111.3S160 L161I158-S160 VanDerWaalsContact C-N 3.35Å; I158-L161 HydrophobicContact CG1-CD1 4.39Å; I158-L161 HydrophobicContact CG2-CB 4.24Å; I158-L161 HydrophobicContact CG2-CD1 4.32Å
159Q40.1Very low37.4Very low182 Ų182127 Ų12785%0.8572%0.718SS**THydrogen-bonded Turntrans-84-7.8167.2-80.3-171.2-3.400113.2P157P157-Q159 PolarHBondContact O-N 3.2Å
160S37.6Very low37.6Very low83 Ų83124.1 Ų124.158%0.5872%0.719SS**SBendtrans-93.3-16.5173.258.90000114.4I158 K163I158-S160 VanDerWaalsContact C-N 3.35Å; S160-K163 PolarHBondContact O-N 3.04Å
161L37.2Very low37.9Very low85 Ų85125.3 Ų125.345%0.44572%0.718SS.*G310 helixtrans-79.5-20-174-95.5152000114.5I158 K163 A164 I166I158-L161 HydrophobicContact CG1-CD1 4.39Å; I158-L161 HydrophobicContact CG2-CB 4.24Å; I158-L161 HydrophobicContact CG2-CD1 4.32Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 2.75Å; L161-A164 PolarHBondContact O-N 3.13Å; L161-I166 HydrophobicContact CD2-CD1 3.88Å; L161-I166 HydrophobicContact CD2-CG1 4.48Å
162Q42.4Very low38.1Very low190 Ų190124.2 Ų124.289%0.88872%0.715SS**G310 helixtrans-74.9-16.4170.2-75-173.8-22.100113A164Q162-A164 VanDerWaalsContact C-N 3.28Å
163K44.6Very low38.2Very low201 Ų201129.8 Ų129.887%0.87473%0.73SS**G310 helixtrans-82.4-8.1172.8-138.8175.3-174-178.40113S160 L161S160-K163 PolarHBondContact O-N 3.04Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 2.75Å
164A44.4Very low38.6Very low57 Ų57127.2 Ų127.247%0.47173%0.729SS.*THydrogen-bonded Turntrans-109.73.9-173.200000115L161 Q162 I166L161-A164 PolarHBondContact O-N 3.13Å; Q162-A164 VanDerWaalsContact C-N 3.28Å; A164-I166 HydrophobicContact CB-CD1 4.12Å; A164-I166 HydrophobicContact CB-CG1 3.97Å; A164-I166 WeakPolarHBondContact O-CG1 3.43Å; A164-I166 PolarHBondContact O-N 3.12Å
165G32.6Very low38.7Very low76 Ų76130 Ų13078%0.78473%0.733SS**THydrogen-bonded Turntrans54.628168.800000115.7S167G165-S167 PolarHBondContact O-N 2.99Å
166I37.3Very low38.7Very low121 Ų121128.7 Ų128.762%0.62174%0.735SS**  trans-86.6103.6-176-44.3-178000108.8L161 A164L161-I166 HydrophobicContact CD2-CD1 3.88Å; L161-I166 HydrophobicContact CD2-CG1 4.48Å; A164-I166 HydrophobicContact CB-CD1 4.12Å; A164-I166 HydrophobicContact CB-CG1 3.97Å; A164-I166 WeakPolarHBondContact O-CG1 3.43Å; A164-I166 PolarHBondContact O-N 3.12Å
167S35.8Very low38.9Very low90 Ų90127.1 Ų127.163%0.62974%0.736SS**  trans-57.8134.1173.51710000111.9G165 A169G165-S167 PolarHBondContact O-N 2.99Å; S167-A169 PolarHBondContact O-N 3.05Å; S167-A169 VanDerWaalsContact O-N 3.16Å; S167-A169 PolarHBondContact OG-N 3.47Å
168L44.3Very low39Very low162 Ų162129.7 Ų129.785%0.84875%0.75SS**SBendtrans-759.4178.5-117.493.7000114.2S170L168-S170 PolarHBondContact O-N 3.22Å
169A40.9Very low39Very low85 Ų85132.5 Ų132.570%0.70276%0.76SS**THydrogen-bonded Turntrans-73.526-176.100000115.1S167S167-A169 PolarHBondContact O-N 3.05Å; S167-A169 VanDerWaalsContact O-N 3.16Å; S167-A169 PolarHBondContact OG-N 3.47Å
170S42.5Very low38.7Very low112 Ų112135.6 Ų135.678%0.78376%0.764SS**THydrogen-bonded Turntrans-136.416.9-176.6-77.60000116.4L168L168-S170 PolarHBondContact O-N 3.22Å
171I44.7Very low38.8Very low145 Ų145136.6 Ų136.674%0.74478%0.777SS**  trans-122.276.7171.5-47.1176.9000109.3
172H36.6Very low38.9Very low191 Ų191136.1 Ų136.188%0.88479%0.793SS**  trans-162.770.2152.1-118.1-115.5000107.9
173Q35Very low38.6Very low182 Ų182135.5 Ų135.585%0.8580%0.796SS**  trans-78.8135.2155.9-74.2-156-1000108.5I175Q173-I175 PolarHBondContact O-N 2.97Å
174P38.4Very low38.2Very low125 Ų125129.6 Ų129.681%0.81279%0.792SS**  trans-71.7126-172.627.1-32.9000112.1G176P174-G176 PolarHBondContact O-N 2.83Å
175I36.8Very low37.7Very low182 Ų182130.8 Ų130.893%0.93380%0.802SS**  trans-69.4108.3170.7-62.3165.6000107.7Q173Q173-I175 PolarHBondContact O-N 2.97Å
176G33.3Very low38Very low72 Ų72137.8 Ų137.874%0.74281%0.806SS**  trans171.549.5176.500000117P174P174-G176 PolarHBondContact O-N 2.83Å
177S35.8Very low38.3Very low113 Ų113143.3 Ų143.379%0.7984%0.837SS**  trans-154.488.3156.742.40000110.2Q179S177-Q179 PolarHBondContact O-N 3.17Å
178V41Very low38.4Very low144 Ų144146 Ų14687%0.87385%0.847SS**  trans-90.193.1164.2-179.90000106.6R180V178-R180 PolarHBondContact O-N 3.4Å
179Q36.7Very low38.1Very low185 Ų185145.1 Ų145.186%0.86485%0.847SS**  trans-67.7113.4163.9-82.9172.9-27.900108.3S177 A181S177-Q179 PolarHBondContact O-N 3.17Å; Q179-A181 PolarHBondContact O-N 3.19Å
180R35.1Very low37.9Very low247 Ų247148.4 Ų148.493%0.93286%0.855SS**  trans-74.4105163.6-102.7-178175.6-167.2-1.5107.6V178V178-R180 PolarHBondContact O-N 3.4Å
181A38.6Very low37.7Very low103 Ų103150.6 Ų150.685%0.85186%0.86SS**  trans-97.3129.9160.700000108Q179Q179-A181 PolarHBondContact O-N 3.19Å
182G39.6Very low37.2Very low76 Ų76150.9 Ų150.978%0.78487%0.867SS**  trans158.466.7175.100000113.1
183D35.7Very low37.3Very low177 Ų177148.3 Ų148.395%0.94787%0.866SS**  trans-59.6135.9154.5-73.1-47000109.4
184G36.8Very low37.4Very low76 Ų76145.9 Ų145.978%0.78487%0.867SS**  trans-164.569.6-179.500000110.2
185A34Very low37.4Very low83 Ų83147.5 Ų147.569%0.68687%0.871SS**  trans-57.6146.9157.200000110.1
186Y39.3Very low37.4Very low223 Ų223144.6 Ų144.688%0.87587%0.866SS**  -175.7122.7124.6-89.8-66.2000109.9
187N42.8Very low37.8Very low236 Ų236151.2 Ų151.2100%1.26288%0.877SS**  trans790173.5-61.4-34.8000118.4

Retrieved 187 of 187 residues in 193.6 ms (Link to these results)