A0A3Q0KD25_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KD25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 186 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
1M46.3Very low53.3Low249 Ų249170.3 Ų170.3100%1.22779%0.79SS**  0111.20-80.5167130.200108.5
2S45.2Very low53.3Low120 Ų120170.1 Ų170.184%0.83979%0.789SS**  trans-72131.9-178.1-69.20000112
3K55.1Low52.1Low169 Ų169163.2 Ų163.274%0.73579%0.792SS**  trans-130.499.2159.5-71.5-174.2178-178.40107.9Y5K3-Y5 HydrophobicContact CB-CD2 4.43Å; K3-Y5 HydrophobicContact CB-CE2 4Å; K3-Y5 HydrophobicContact CD-CE2 4.29Å
4R56.9Low51.9Low243 Ų243157.7 Ų157.792%0.91778%0.779SS**  trans-98.6114.3162.7-87.5-168.7-87.5-153.5-3.4106.5
5Y63.8Low51.6Low201 Ų201155.7 Ų155.779%0.78879%0.786SS**  trans-79.7134.4175.8-78.2-91.6000109.8K3K3-Y5 HydrophobicContact CB-CD2 4.43Å; K3-Y5 HydrophobicContact CB-CE2 4Å; K3-Y5 HydrophobicContact CD-CE2 4.29Å
6H48.5Very low51.6Low156 Ų156158.6 Ų158.672%0.72279%0.785SS**  trans-69.2145.5170.1-131.9-65.6000109.8D8H6-D8 IonicContact CE1-OD2 3.45Å; H6-D8 PolarHBondContact CE1-OD2 3.17Å; H6-D8 IonicContact ND1-OD2 2.72Å; H6-D8 PolarHBondContact ND1-OD2 3.17Å
7E59.9Low51.5Low173 Ų173161 Ų16181%0.80879%0.79SS**  trans-159.4108.8137.8-126.2163.3-174.400111
8D49Very low51.5Low125 Ų125161.9 Ų161.967%0.66879%0.792SS**  trans-87.8122.7164.2-76.8-51.8000108.1H6H6-D8 IonicContact CE1-OD2 3.45Å; H6-D8 PolarHBondContact CE1-OD2 3.17Å; H6-D8 IonicContact ND1-OD2 2.72Å; H6-D8 PolarHBondContact ND1-OD2 3.17Å
9H58Low51.5Low145 Ų145164.8 Ų164.867%0.67179%0.793SS**  trans-147.1101.8158.3-76.1-64.3000108.1
10E54.4Low51.5Low138 Ų138168.4 Ų168.465%0.64580%0.798SS**  76.6101.895.4-77.7-145.4124.700115.1
11K49.5Very low51.5Low154 Ų154167 Ų16767%0.6780%0.795SS**  57.7151.9123.5-62.3175.8-175.6148.70121.2
12H52.6Low51.7Low168 Ų168160.1 Ų160.178%0.77877%0.772SS**  trans103.982.6155-54.9-66.9000116.5
13G37.9Very low51.8Low80 Ų80165.7 Ų165.783%0.82577%0.774SS**  trans12.6116.8132.300000118.1
14S49.3Very low51.6Low87 Ų87162.8 Ų162.861%0.60878%0.775SS**  trans-145.787.6144.9-140.90000109.6R16S14-R16 PolarHBondContact O-N 2.99Å
15S46.9Very low51.2Low128 Ų128158.6 Ų158.690%0.89577%0.766SS**  trans-63.181.1157.5-179.30000107.8
16R51.7Low50.7Low201 Ų201153.4 Ų153.476%0.75876%0.759SS**  trans-99.899.3171.9-85.3-179.5179-178.20.9108.3S14 H18S14-R16 PolarHBondContact O-N 2.99Å; R16-H18 PolarHBondContact O-N 3.31Å
17K50.1Low51Low200 Ų200153.1 Ų153.187%0.8776%0.758SS**  trans-34.197.8156.3-80.4171.7167.6171.90110.1R19K17-R19 VanDerWaalsContact C-N 3.31Å; K17-R19 PolarHBondContact O-N 2.82Å
18H51Low50.6Low178 Ų178149.2 Ų149.282%0.82474%0.742SS**  trans-71.598.8158.7-84.4-74000106.5R16 R20R16-H18 PolarHBondContact O-N 3.31Å; H18-R20 PolarHBondContact O-N 2.6Å
19R52.8Low51.1Low217 Ų217152 Ų15282%0.81975%0.748SS**  trans-45.8110.3160.8-80.7178.8165.6162.4-5.1106.7K17 D21K17-R19 VanDerWaalsContact C-N 3.31Å; K17-R19 PolarHBondContact O-N 2.82Å; R19-D21 PolarHBondContact O-N 2.72Å
20R51.2Low51.1Low235 Ų235151.6 Ų151.689%0.88775%0.752SS**  trans-63.788.6158.3-82-179.4-177.7160.40.5105.2H18 S22H18-R20 PolarHBondContact O-N 2.6Å; R20-S22 PolarHBondContact O-N 3.4Å
21D51.4Low51.5Low139 Ų139152.2 Ų152.274%0.74375%0.752SS**  trans-66.593.6158.3-78-27.7000105.5R19 R23R19-D21 PolarHBondContact O-N 2.72Å; D21-R23 PolarHBondContact O-N 2.78Å
22S50.8Low52.2Low106 Ų106152 Ų15274%0.74175%0.754SS**  trans-55.588.5162.2-53.70000106.8R20 S24R20-S22 PolarHBondContact O-N 3.4Å; S22-S24 PolarHBondContact O-N 2.95Å
23R46.1Very low53Low236 Ų236151.7 Ų151.789%0.89176%0.757SS**  trans-62.891.2163.9-98.7179173.8163.3-1.4106.1D21 H25D21-R23 PolarHBondContact O-N 2.78Å; R23-H25 VanDerWaalsContact C-N 3.33Å; R23-H25 PolarHBondContact O-N 3.12Å
24S52Low54.8Low108 Ų108158 Ų15876%0.75576%0.756SS**  trans-45.2100.7161.524.50000107.6S22 S26S22-S24 PolarHBondContact O-N 2.95Å; S24-S26 PolarHBondContact O-N 3.27Å
25H49.1Very low56.2Low155 Ų155160.6 Ų160.672%0.71876%0.761SS**  trans-73.577.8170.7-163.469.1000106R23 H27R23-H25 VanDerWaalsContact C-N 3.33Å; R23-H25 PolarHBondContact O-N 3.12Å; H25-H27 PolarHBondContact O-N 3.44Å; H25-H27 VanDerWaalsContact O-N 3.12Å
26S52.7Low57.9Low92 Ų92163.3 Ų163.364%0.64376%0.759SS**  trans-59.3118.5167.555.60000106.7S24 D28S24-S26 PolarHBondContact O-N 3.27Å; S26-D28 PolarHBondContact O-N 3.31Å
27H53.7Low59.4Low151 Ų151161.7 Ų161.770%0.69976%0.763SS**  trans-68.681.4170.2-124-69.4000106.7H25 K29H25-H27 PolarHBondContact O-N 3.44Å; H25-H27 VanDerWaalsContact O-N 3.12Å; H27-K29 VanDerWaalsContact C-N 3.33Å; H27-K29 PolarHBondContact O-N 2.92Å
28D52.6Low61Low90 Ų90161.2 Ų161.248%0.48176%0.761SS.*  trans-6696.6174-156.8-5000107S26 D30 K31S26-D28 PolarHBondContact O-N 3.31Å; D28-D30 PolarHBondContact O-N 2.93Å; D28-K31 HydrophobicContact CB-CG 4.25Å; D28-K31 WeakPolarHBondContact O-CG 3.4Å
29K59.5Low62.3Low183 Ų183158 Ų15880%0.79676%0.755SS**THydrogen-bonded Turntrans-76-3.6-179.9-67.8-162.6-178.9-176.60112H27H27-K29 VanDerWaalsContact C-N 3.33Å; H27-K29 PolarHBondContact O-N 2.92Å
30D58.8Low63.3Low138 Ų138156 Ų15674%0.73876%0.76SS**THydrogen-bonded Turntrans-11136.9-179.5-60.2-28.9000112D28 E32D28-D30 PolarHBondContact O-N 2.93Å; D30-E32 PolarHBondContact O-N 3.43Å
31K62Low64.5Low151 Ų151152.1 Ų152.166%0.65775%0.754SS**  trans-68.974.4169.4-69.3-178-170.4-172.60110.2D28 L33D28-K31 HydrophobicContact CB-CG 4.25Å; D28-K31 WeakPolarHBondContact O-CG 3.4Å; K31-L33 PolarHBondContact O-N 3.47Å
32E64.8Low65.6Low150 Ų150148.1 Ų148.170%0.70173%0.732SS**  trans-57.8120166.8-172.3179-155.200108.2D30 R34D30-E32 PolarHBondContact O-N 3.43Å; E32-R34 PolarHBondContact O-N 3.2Å
33L69.1Low66.6Low160 Ų160148.7 Ų148.784%0.83874%0.736SS**  trans-68.295.9175.4-70.9169.6000108.6K31 I35K31-L33 PolarHBondContact O-N 3.47Å; L33-I35 PolarHBondContact O-N 2.93Å
34R76.1Confident67.5Low214 Ų214138.4 Ų138.481%0.80870%0.7SS**  trans-78.3100171-65.7-176.3-179.2175.91.5109.1E32 Q36E32-R34 PolarHBondContact O-N 3.2Å; R34-Q36 PolarHBondContact O-N 3.47Å
35I78.4Confident68.7Low141 Ų141141.3 Ų141.372%0.72371%0.708SS**  trans-78.5113.7169.7-58.9173.6000107.3L33 M37L33-I35 PolarHBondContact O-N 2.93Å; I35-M37 HydrophobicContact CG2-SD 4.19Å; I35-M37 PolarHBondContact O-N 2.91Å
36Q82.6Confident70.3Confident184 Ų184138.4 Ų138.486%0.8670%0.697SS**PPolyproline II helixtrans-78116.3168.3-70.7-1773.200108.7R34R34-Q36 PolarHBondContact O-N 3.47Å
37M82.4Confident71.7Confident167 Ų167138.4 Ų138.482%0.82369%0.687SS**PPolyproline II helixtrans-75.2132.6172.4-61.2-62.6-71.300109.2I35I35-M37 HydrophobicContact CG2-SD 4.19Å; I35-M37 PolarHBondContact O-N 2.91Å
38K83Confident73Confident191 Ų191137 Ų13783%0.8368%0.684SS**PPolyproline II helixtrans-79.1141.6168.1-71.8-178.2177.31780109.3
39P78.6Confident74.3Confident110 Ų110135.5 Ų135.571%0.71468%0.678SS**PPolyproline II helixtrans-60.9141.5174.123.8-31000110.6M41P39-M41 PolarHBondContact O-N 2.87Å
40L73.9Confident75.2Confident175 Ų175131.2 Ų131.292%0.91666%0.657SS**PPolyproline II helixtrans-72.6116.7172.4-70.4165.2000108.2
41M76.7Confident76.4Confident153 Ų153128.7 Ų128.775%0.75464%0.641SS**PPolyproline II helixtrans-93.6133.3169.8-69.6-62.8-58.100108.4P39P39-M41 PolarHBondContact O-N 2.87Å
42L74.3Confident77.4Confident56 Ų56126.3 Ų126.329%0.29364%0.635SS.*PPolyproline II helixtrans-69.3146169.1-60.7173.7000108.2S44 R50 E53 I54 I57L42-S44 PolarHBondContact O-N 3.21Å; L42-R50 HydrophobicContact CB-CG 4.18Å; L42-R50 HydrophobicContact CD1-CG 3.25Å; L42-R50 HydrophobicContact CG-CG 4.32Å; L42-E53 HydrophobicContact CD2-CB 4.49Å; L42-I54 HydrophobicContact CD1-CD1 3.92Å; L42-I54 HydrophobicContact CD1-CG1 3.77Å; L42-I57 HydrophobicContact CD2-CD1 4Å
43S71.3Confident78.2Confident117 Ų117121.2 Ų121.282%0.81861%0.612SS**SBendtrans-74.7-17.2-170.1-56.90000112.4E53S43-E53 PolarHBondContact N-OE2 2.97Å
44S66.8Low78.8Confident20 Ų20115.7 Ų115.714%0.1458%0.582CS.*  trans-118.3129.7-175.356.40000113.3L42 N46 T49 R50 E53L42-S44 PolarHBondContact O-N 3.21Å; S44-N46 PolarHBondContact O-N 2.83Å; S44-T49 VanDerWaalsContact OG-CB 3.24Å; S44-T49 WeakPolarHBondContact OG-CB 3.37Å; S44-T49 VanDerWaalsContact OG-CG2 3.25Å; S44-T49 WeakPolarHBondContact OG-CG2 3.23Å; S44-R50 PolarHBondContact OG-N 2.94Å; S44-E53 VanDerWaalsContact CB-OE1 3.27Å; S44-E53 WeakPolarHBondContact CB-OE1 3.36Å; S44-E53 PolarHBondContact N-OE1 3.1Å; S44-E53 PolarHBondContact OG-OE1 3.27Å
45D76.6Confident79.2Confident170 Ų170108.9 Ų108.991%0.90957%0.567SS**SBendtrans-76.4-10.7168.9-65.9-32.4000112.4
46N81.8Confident79.4Confident93 Ų93110.6 Ų110.650%0.49757%0.566SS.*SBendtrans-83.4120.5178.7-178.6-6.1000110.6S44 L48 T49 R50S44-N46 PolarHBondContact O-N 2.83Å; N46-L48 VanDerWaalsContact C-N 3.27Å; N46-L48 PolarHBondContact O-N 3.02Å; N46-L48 PolarHBondContact OD1-N 3.49Å; N46-T49 PolarHBondContact O-N 3.4Å; N46-T49 VanDerWaalsContact O-N 3.12Å; N46-R50 WeakPolarHBondContact O-CB 3.33Å; N46-R50 PolarHBondContact O-N 3.3Å
47E81.9Confident79.2Confident93 Ų93106.6 Ų106.644%0.43555%0.55SS..Hα-helixtrans-48.7-44.1179.9-173.162.8-135.200113.4R50 Q51E47-R50 WeakPolarHBondContact O-CB 3.35Å; E47-R50 PolarHBondContact O-N 2.65Å; E47-R50 IonicContact OE1-CZ 3.56Å; E47-R50 IonicContact OE1-NE 2.6Å; E47-R50 IonicContact OE1-NH2 3.07Å; E47-R50 PolarHBondContact OE1-NH2 3.33Å; E47-R50 IonicContact OE2-CZ 3.62Å; E47-R50 IonicContact OE2-NE 3.49Å; E47-R50 IonicContact OE2-NH1 3.12Å; E47-R50 IonicContact OE2-NH2 3.65Å; E47-R50 PolarHBondContact OE2-NH2 3.36Å; E47-Q51 WeakPolarHBondContact O-CG 3.24Å; E47-Q51 PolarHBondContact O-N 3.36Å; E47-Q51 PolarHBondContact OE1-NE2 3.42Å
48L81.4Confident79.2Confident122 Ų122106 Ų10664%0.63955%0.545SS*.Hα-helixtrans-66.6-44.7-177.2-175.468.1000111.6N46 R50 Q51 N52N46-L48 VanDerWaalsContact C-N 3.27Å; N46-L48 PolarHBondContact O-N 3.02Å; N46-L48 PolarHBondContact OD1-N 3.49Å; L48-R50 VanDerWaalsContact C-N 3.29Å; L48-Q51 PolarHBondContact O-N 3.25Å; L48-N52 PolarHBondContact O-N 2.99Å; L48-N52 PolarHBondContact O-ND2 2.79Å
49T79.2Confident79.1Confident58 Ų58100.1 Ų100.136%0.35654%0.538SS..Hα-helixtrans-66.6-37.2177.2-49.90000110.5S44 N46 Q51 N52 E53S44-T49 VanDerWaalsContact OG-CB 3.24Å; S44-T49 WeakPolarHBondContact OG-CB 3.37Å; S44-T49 VanDerWaalsContact OG-CG2 3.25Å; S44-T49 WeakPolarHBondContact OG-CG2 3.23Å; N46-T49 PolarHBondContact O-N 3.4Å; N46-T49 VanDerWaalsContact O-N 3.12Å; T49-Q51 PolarHBondContact O-N 2.83Å; T49-N52 WeakPolarHBondContact O-CB 3.35Å; T49-N52 PolarHBondContact O-N 3.2Å; T49-E53 WeakPolarHBondContact O-CG 3.48Å; T49-E53 PolarHBondContact O-N 2.93Å
50R80.3Confident79Confident93 Ų9397.8 Ų97.835%0.35152%0.524SS..Hα-helixtrans-60.9-44.1177-164-178.272179.93112.1L42 S44 N46 E47 L48 N52 E53 I54L42-R50 HydrophobicContact CB-CG 4.18Å; L42-R50 HydrophobicContact CD1-CG 3.25Å; L42-R50 HydrophobicContact CG-CG 4.32Å; S44-R50 PolarHBondContact OG-N 2.94Å; N46-R50 WeakPolarHBondContact O-CB 3.33Å; N46-R50 PolarHBondContact O-N 3.3Å; E47-R50 WeakPolarHBondContact O-CB 3.35Å; E47-R50 PolarHBondContact O-N 2.65Å; E47-R50 IonicContact OE1-CZ 3.56Å; E47-R50 IonicContact OE1-NE 2.6Å; E47-R50 IonicContact OE1-NH2 3.07Å; E47-R50 PolarHBondContact OE1-NH2 3.33Å; E47-R50 IonicContact OE2-CZ 3.62Å; E47-R50 IonicContact OE2-NE 3.49Å; E47-R50 IonicContact OE2-NH1 3.12Å; E47-R50 IonicContact OE2-NH2 3.65Å; E47-R50 PolarHBondContact OE2-NH2 3.36Å; L48-R50 VanDerWaalsContact C-N 3.29Å; R50-N52 VanDerWaalsContact C-N 3.32Å; R50-N52 PolarHBondContact O-N 2.93Å; R50-E53 PolarHBondContact O-N 2.86Å; R50-I54 HydrophobicContact CG-CD1 4.18Å; R50-I54 WeakPolarHBondContact O-CD1 3.49Å; R50-I54 VanDerWaalsContact O-CG1 3.23Å; R50-I54 WeakPolarHBondContact O-CG1 3.5Å; R50-I54 PolarHBondContact O-N 2.74Å
51Q83Confident78.9Confident84 Ų8494.7 Ų94.739%0.39352%0.518SS..Hα-helixtrans-66.3-34.3177-66.7-59.2-15.200112.6E47 L48 T49 S55E47-Q51 WeakPolarHBondContact O-CG 3.24Å; E47-Q51 PolarHBondContact O-N 3.36Å; E47-Q51 PolarHBondContact OE1-NE2 3.42Å; L48-Q51 PolarHBondContact O-N 3.25Å; T49-Q51 PolarHBondContact O-N 2.83Å; Q51-S55 WeakPolarHBondContact O-CB 3.26Å; Q51-S55 PolarHBondContact O-N 3.44Å; Q51-S55 PolarHBondContact O-OG 3.41Å
52N83.9Confident78.5Confident102 Ų10295.5 Ų95.555%0.54552%0.517SS..Hα-helixtrans-68.2-41.7173.7-69.1-26.4000111.8L48 T49 R50 S55 Y56L48-N52 PolarHBondContact O-N 2.99Å; L48-N52 PolarHBondContact O-ND2 2.79Å; T49-N52 WeakPolarHBondContact O-CB 3.35Å; T49-N52 PolarHBondContact O-N 3.2Å; R50-N52 VanDerWaalsContact C-N 3.32Å; R50-N52 PolarHBondContact O-N 2.93Å; N52-S55 PolarHBondContact O-N 2.72Å; N52-Y56 WeakPolarHBondContact O-CB 3.43Å; N52-Y56 PolarHBondContact O-N 2.8Å
53E81Confident78.1Confident43 Ų4398 Ų9820%0.20154%0.535CS..Hα-helixtrans-62.5-44.7174.6-74.2176.6-142.900111.4L42 S43 S44 T49 R50 Y56 I57L42-E53 HydrophobicContact CD2-CB 4.49Å; S43-E53 PolarHBondContact N-OE2 2.97Å; S44-E53 VanDerWaalsContact CB-OE1 3.27Å; S44-E53 WeakPolarHBondContact CB-OE1 3.36Å; S44-E53 PolarHBondContact N-OE1 3.1Å; S44-E53 PolarHBondContact OG-OE1 3.27Å; T49-E53 WeakPolarHBondContact O-CG 3.48Å; T49-E53 PolarHBondContact O-N 2.93Å; R50-E53 PolarHBondContact O-N 2.86Å; E53-Y56 PolarHBondContact O-N 3.2Å; E53-I57 VanDerWaalsContact O-CG1 3.26Å; E53-I57 WeakPolarHBondContact O-CG1 3.35Å; E53-I57 PolarHBondContact O-N 3.26Å
54I82Confident77.9Confident43 Ų43100 Ų10022%0.22153%0.532CS..Hα-helixtrans-59.2-51.2175.3-69.3164.2000110.1L42 R50 Y56 I57 E58L42-I54 HydrophobicContact CD1-CD1 3.92Å; L42-I54 HydrophobicContact CD1-CG1 3.77Å; R50-I54 HydrophobicContact CG-CD1 4.18Å; R50-I54 WeakPolarHBondContact O-CD1 3.49Å; R50-I54 VanDerWaalsContact O-CG1 3.23Å; R50-I54 WeakPolarHBondContact O-CG1 3.5Å; R50-I54 PolarHBondContact O-N 2.74Å; I54-Y56 VanDerWaalsContact C-N 3.26Å; I54-Y56 PolarHBondContact O-N 2.88Å; I54-I57 PolarHBondContact O-N 2.86Å; I54-I57 VanDerWaalsContact O-N 3.1Å; I54-E58 HydrophobicContact CG2-CG 4.14Å; I54-E58 WeakPolarHBondContact CG2-OE1 3.28Å; I54-E58 WeakPolarHBondContact O-CB 3.27Å; I54-E58 WeakPolarHBondContact O-CG 3.25Å; I54-E58 PolarHBondContact O-N 3.07Å
55S84.1Confident78.1Confident71 Ų71106.9 Ų106.950%0.49756%0.559SS.*Hα-helixtrans-58.9-38179.3-59.30000112.1Q51 N52 G59Q51-S55 WeakPolarHBondContact O-CB 3.26Å; Q51-S55 PolarHBondContact O-N 3.44Å; Q51-S55 PolarHBondContact O-OG 3.41Å; N52-S55 PolarHBondContact O-N 2.72Å; S55-G59 PolarHBondContact O-N 3.11Å
56Y82.9Confident77.5Confident178 Ų178103.8 Ų103.870%0.69855%0.551SS**Hα-helixtrans-66.4-43.3175.7179-93.3000112.2N52 E53 I54 S60N52-Y56 WeakPolarHBondContact O-CB 3.43Å; N52-Y56 PolarHBondContact O-N 2.8Å; E53-Y56 PolarHBondContact O-N 3.2Å; I54-Y56 VanDerWaalsContact C-N 3.26Å; I54-Y56 PolarHBondContact O-N 2.88Å; Y56-S60 VanDerWaalsContact O-CB 3.28Å; Y56-S60 WeakPolarHBondContact O-CB 3.49Å; Y56-S60 PolarHBondContact O-N 2.81Å
57I78.6Confident76.7Confident100 Ų100109.2 Ų109.251%0.51357%0.57SS.*Hα-helixtrans-67.8-42.9178.4-66.8164.1000110.6L42 E53 I54 S60L42-I57 HydrophobicContact CD2-CD1 4Å; E53-I57 VanDerWaalsContact O-CG1 3.26Å; E53-I57 WeakPolarHBondContact O-CG1 3.35Å; E53-I57 PolarHBondContact O-N 3.26Å; I54-I57 PolarHBondContact O-N 2.86Å; I54-I57 VanDerWaalsContact O-N 3.1Å; I57-S60 PolarHBondContact O-N 2.92Å
58E82.1Confident75.4Confident154 Ų154110.1 Ų110.172%0.7259%0.587SS**Hα-helixtrans-66.7-36178.3-71.8178.317200112.3I54 S60I54-E58 HydrophobicContact CG2-CG 4.14Å; I54-E58 WeakPolarHBondContact CG2-OE1 3.28Å; I54-E58 WeakPolarHBondContact O-CB 3.27Å; I54-E58 WeakPolarHBondContact O-CG 3.25Å; I54-E58 PolarHBondContact O-N 3.07Å; E58-S60 VanDerWaalsContact C-N 3.35Å
59G79.8Confident74.3Confident67 Ų67109.4 Ų109.469%0.69159%0.592SS**Hα-helixtrans-76.5-20.6174.100000113.9S55 S61S55-G59 PolarHBondContact O-N 3.11Å; G59-S61 PolarHBondContact O-N 3.38Å
60S77.7Confident73.6Confident61 Ų61112.1 Ų112.143%0.42761%0.613SS.*SBendtrans-78.1114.9176174.50000109.5Y56 I57 E58 F62Y56-S60 VanDerWaalsContact O-CB 3.28Å; Y56-S60 WeakPolarHBondContact O-CB 3.49Å; Y56-S60 PolarHBondContact O-N 2.81Å; I57-S60 PolarHBondContact O-N 2.92Å; E58-S60 VanDerWaalsContact C-N 3.35Å; S60-F62 PolarHBondContact O-N 2.88Å
61S71.3Confident72.4Confident111 Ų111117.1 Ų117.178%0.77663%0.632SS**  trans-68.178.3174.250.70000111.3G59 T63G59-S61 PolarHBondContact O-N 3.38Å; S61-T63 PolarHBondContact O-N 3.12Å
62F68.7Low71.1Confident169 Ų169122.2 Ų122.274%0.74165%0.653SS**  trans-7595.8171.5-177.5-100.1000109.4S60 Q64S60-F62 PolarHBondContact O-N 2.88Å; F62-Q64 HydrophobicContact CE1-CB 3.93Å
63T66Low69.4Low108 Ų108125.6 Ų125.666%0.66367%0.665SS**  trans-85.9108.9165.353.10000109.1S61 K65S61-T63 PolarHBondContact O-N 3.12Å; T63-K65 PolarHBondContact O-N 3.12Å; T63-K65 VanDerWaalsContact O-N 3.11Å
64Q66.2Low68Low161 Ų161131.1 Ų131.175%0.75270%0.696SS**  trans-60112.9168.9-179176.1-27.700108.7F62 S66F62-Q64 HydrophobicContact CE1-CB 3.93Å; Q64-S66 PolarHBondContact O-N 2.89Å
65K72.9Confident66.3Low164 Ų164134.8 Ų134.871%0.71372%0.721SS**  trans-76.4121.1173.6-62.9-163179.3-161.30108.8T63 F67T63-K65 PolarHBondContact O-N 3.12Å; T63-K65 VanDerWaalsContact O-N 3.11Å; K65-F67 PolarHBondContact O-N 3.49Å
66S63Low64.7Low105 Ų105138 Ų13873%0.73473%0.732SS**  trans-60.6118.3169.9-59.90000109.4Q64 S68Q64-S66 PolarHBondContact O-N 2.89Å; S66-S68 PolarHBondContact O-N 3.25Å
67F65.1Low62.9Low207 Ų207136.5 Ų136.591%0.90874%0.735SS**  trans-80.699171.3-70-82.3000108.9K65K65-F67 PolarHBondContact O-N 3.49Å
68S55.5Low61.4Low112 Ų112135.9 Ų135.978%0.78373%0.733SS**  trans-82.9114.3167-660000109.3S66 S70S66-S68 PolarHBondContact O-N 3.25Å; S68-S70 PolarHBondContact O-N 3.22Å
69S56.7Low60.1Low107 Ų107133.2 Ų133.275%0.74873%0.729SS**  trans-67.6113.4172.5178.40000109.8R71S69-R71 PolarHBondContact O-N 3.32Å; S69-R71 WeakPolarHBondContact OG-CB 3.47Å; S69-R71 PolarHBondContact OG-N 3.38Å
70S64.2Low58.6Low115 Ų115136.8 Ų136.880%0.80473%0.732SS**  trans-80.811.5172.3179.20000112.8S68 K72S68-S70 PolarHBondContact O-N 3.22Å; S70-K72 PolarHBondContact O-N 3.38Å
71R56.7Low57.2Low197 Ų197137.6 Ų137.674%0.74374%0.738SS**  trans-74.192.2-170.7-146.8179.7-135.3-136.64.4110.1S69 Q73S69-R71 PolarHBondContact O-N 3.32Å; S69-R71 WeakPolarHBondContact OG-CB 3.47Å; S69-R71 PolarHBondContact OG-N 3.38Å; R71-Q73 PolarHBondContact O-N 3.18Å
72K54.4Low56.1Low191 Ų191141.7 Ų141.783%0.8374%0.738SS**  trans-57117.6156.3-67.8-168.9177.7-174.40106.5S70S70-K72 PolarHBondContact O-N 3.38Å
73Q48.2Very low55Low173 Ų173138.8 Ų138.881%0.80874%0.738SS**SBendtrans-59.4149168.5-62.9176.5-5.200107.3R71R71-Q73 PolarHBondContact O-N 3.18Å
74D52Low54.2Low160 Ų160144.1 Ų144.186%0.85675%0.746SS**  trans92.941.1177.6-48.9-26.2000118.9
75T46.9Very low53.2Low119 Ų119141.7 Ų141.773%0.7374%0.744SS**  trans-126.397.3151.6-39.80000109L77T75-L77 PolarHBondContact O-N 3.49Å; T75-L77 VanDerWaalsContact O-N 3.15Å
76L50.2Low51.7Low140 Ų140138.5 Ų138.573%0.73375%0.749SS**  trans-43.1121.4162-81.1156000107.8N78L76-N78 PolarHBondContact O-N 3.21Å
77L45.8Very low50.6Low145 Ų145135.7 Ų135.776%0.75974%0.737SS**  trans-62.783.7177.2-66.1168.2000108.9T75 P79T75-L77 PolarHBondContact O-N 3.49Å; T75-L77 VanDerWaalsContact O-N 3.15Å; L77-P79 WeakPolarHBondContact O-CD 3.29Å
78N45.6Very low49.5Very low87 Ų87131.8 Ų131.847%0.46573%0.729SS.*  trans-95.7107.7169.1-159.715.7000106.1L76 D80 S81L76-N78 PolarHBondContact O-N 3.21Å; N78-D80 PolarHBondContact O-N 2.97Å; N78-S81 WeakPolarHBondContact CB-OG 3.32Å; N78-S81 PolarHBondContact ND2-OG 3.42Å; N78-S81 PolarHBondContact O-N 3.06Å; N78-S81 VanDerWaalsContact O-N 3.13Å
79P55Low49.4Very low99 Ų99133.9 Ų133.964%0.64373%0.732SS**THydrogen-bonded Turntrans-61.7-11.3-177.424.3-31.9000113.1L77L77-P79 WeakPolarHBondContact O-CD 3.29Å
80D48.5Very low49.3Very low142 Ų142133.2 Ų133.276%0.75973%0.727SS**THydrogen-bonded Turntrans-96.12.4-179.6-57.9-37.2000114.1N78N78-D80 PolarHBondContact O-N 2.97Å
81S49.2Very low48.9Very low78 Ų78129.3 Ų129.355%0.54571%0.705SS.*  trans-101.68.8-176.4-53.70000114.9N78 S83N78-S81 WeakPolarHBondContact CB-OG 3.32Å; N78-S81 PolarHBondContact ND2-OG 3.42Å; N78-S81 PolarHBondContact O-N 3.06Å; N78-S81 VanDerWaalsContact O-N 3.13Å; S81-S83 VanDerWaalsContact C-N 3.3Å; S81-S83 PolarHBondContact O-N 2.85Å
82Y48Very low48.9Very low196 Ų196126.8 Ų126.877%0.76970%0.701SS**  trans-71.791.3169.1-72.8-79000109.2R84Y82-R84 VanDerWaalsContact C-N 3.25Å; Y82-R84 PolarHBondContact O-N 3.07Å
83S46Very low49.2Very low108 Ų108125 Ų12576%0.75569%0.69SS**  trans-5999.215870.40000106.7S81 P85S81-S83 VanDerWaalsContact C-N 3.3Å; S81-S83 PolarHBondContact O-N 2.85Å; S83-P85 VanDerWaalsContact O-CD 3.26Å; S83-P85 WeakPolarHBondContact O-CD 3.28Å
84R48.8Very low49.8Very low220 Ų220120.3 Ų120.383%0.8368%0.676SS**  trans-39.7112.1167.3175.9174.1169.2-125.31.1107.8Y82 A86Y82-R84 VanDerWaalsContact C-N 3.25Å; Y82-R84 PolarHBondContact O-N 3.07Å; R84-A86 VanDerWaalsContact C-N 3.3Å; R84-A86 PolarHBondContact O-N 2.83Å
85P45.4Very low50.6Low110 Ų110116.4 Ų116.471%0.71466%0.659SS**  trans-61.6106.816724.5-28.5000105.3S83 G87S83-P85 VanDerWaalsContact O-CD 3.26Å; S83-P85 WeakPolarHBondContact O-CD 3.28Å; P85-G87 PolarHBondContact O-N 3.14Å
86A41.1Very low51.8Low98 Ų98116 Ų11681%0.8165%0.65SS**SBendtrans-66.488.7169.300000106.1R84R84-A86 VanDerWaalsContact C-N 3.3Å; R84-A86 PolarHBondContact O-N 2.83Å
87G38.7Very low52.9Low46 Ų46113.5 Ų113.547%0.47464%0.636SS.*SBendtrans154128.8-179.500000111.1P85P85-G87 PolarHBondContact O-N 3.14Å
88V43Very low54.1Low124 Ų124112.9 Ų112.975%0.75263%0.633SS**  trans63.895.8159.7-87.30000117.7S90V88-S90 PolarHBondContact O-N 3.32Å; V88-S90 PolarHBondContact O-OG 3.1Å
89N53.4Low55.4Low157 Ų157114.8 Ų114.884%0.8464%0.639SS**THydrogen-bonded Turntrans-25.115.3153.9-55.6-17.7000120.2
90S55.2Low56Low92 Ų92118.1 Ų118.164%0.64364%0.639SS**THydrogen-bonded Turntrans-94.8-18.1-179.866.50000114.2V88V88-S90 PolarHBondContact O-N 3.32Å; V88-S90 PolarHBondContact O-OG 3.1Å
91G55.4Low57.2Low33 Ų33114.1 Ų114.134%0.3463%0.626SS.*Hα-helixtrans-76.5-25.4-175.400000115.2Y93 S94 T95G91-Y93 VanDerWaalsContact C-N 3.29Å; G91-Y93 PolarHBondContact O-N 3.4Å; G91-S94 PolarHBondContact O-N 2.93Å; G91-S94 PolarHBondContact O-OG 3.43Å; G91-T95 WeakPolarHBondContact O-CG2 3.38Å; G91-T95 PolarHBondContact O-N 2.85Å; G91-T95 PolarHBondContact O-OG1 3.31Å
92H56.7Low58.4Low144 Ų144116.2 Ų116.267%0.66763%0.626SS**Hα-helixtrans-67.5-31.4-175.8-76.980.7000112.6T95 M96H92-T95 WeakPolarHBondContact CA-OG1 3.19Å; H92-T95 PolarHBondContact O-OG1 3.18Å; H92-M96 VanDerWaalsContact O-CG 3.3Å; H92-M96 WeakPolarHBondContact O-CG 3.21Å; H92-M96 PolarHBondContact O-N 3.25Å; H92-M96 VanDerWaalsContact O-N 3.12Å
93Y60.2Low59.4Low154 Ų154112.2 Ų112.260%0.60462%0.615SS**Hα-helixtrans-72.3-41.2179.8-166.5-107.3000111.6G91 M96 I97G91-Y93 VanDerWaalsContact C-N 3.29Å; G91-Y93 PolarHBondContact O-N 3.4Å; Y93-M96 HydrophobicContact CD2-CE 4.08Å; Y93-M96 PolarHBondContact O-N 3.01Å; Y93-I97 HydrophobicContact CD1-CD1 3.5Å; Y93-I97 VanDerWaalsContact CD1-CD1 3.5Å; Y93-I97 HydrophobicContact CD1-CG1 4.4Å; Y93-I97 HydrophobicContact CE1-CD1 3.2Å; Y93-I97 HydrophobicContact CE1-CG1 4.19Å; Y93-I97 HydrophobicContact CG-CD1 4.36Å; Y93-I97 WeakPolarHBondContact O-CG1 3.36Å; Y93-I97 PolarHBondContact O-N 3.44Å
94S61.5Low60.7Low74 Ų74108.3 Ų108.352%0.51759%0.589SS.*Hα-helixtrans-68.7-37178.784.50000111.6G91 I97 L98G91-S94 PolarHBondContact O-N 2.93Å; G91-S94 PolarHBondContact O-OG 3.43Å; S94-I97 PolarHBondContact O-N 2.93Å; S94-L98 WeakPolarHBondContact O-CB 3.42Å; S94-L98 PolarHBondContact O-N 3.33Å
95T68.4Low61.8Low79 Ų79102 Ų10249%0.48558%0.584SS.*Hα-helixtrans-65.3-42.5175.855.30000111.5G91 H92 L98 E99G91-T95 WeakPolarHBondContact O-CG2 3.38Å; G91-T95 PolarHBondContact O-N 2.85Å; G91-T95 PolarHBondContact O-OG1 3.31Å; H92-T95 WeakPolarHBondContact CA-OG1 3.19Å; H92-T95 PolarHBondContact O-OG1 3.18Å; T95-L98 PolarHBondContact O-N 2.9Å; T95-E99 VanDerWaalsContact O-CB 3.31Å; T95-E99 WeakPolarHBondContact O-CB 3.25Å; T95-E99 PolarHBondContact O-N 3.35Å
96M72.1Confident63Low110 Ų110101.6 Ų101.654%0.54258%0.575SS.*Hα-helixtrans-64.3-40.9176.2-75.3-170.4-5400112.3H92 Y93 L98 R100H92-M96 VanDerWaalsContact O-CG 3.3Å; H92-M96 WeakPolarHBondContact O-CG 3.21Å; H92-M96 PolarHBondContact O-N 3.25Å; H92-M96 VanDerWaalsContact O-N 3.12Å; Y93-M96 HydrophobicContact CD2-CE 4.08Å; Y93-M96 PolarHBondContact O-N 3.01Å; M96-L98 VanDerWaalsContact C-N 3.34Å; M96-R100 VanDerWaalsContact O-CB 3.25Å; M96-R100 WeakPolarHBondContact O-CB 3.37Å; M96-R100 PolarHBondContact O-N 2.87Å
97I73.4Confident64.5Low87 Ų87104.8 Ų104.845%0.44657%0.571SS.*Hα-helixtrans-63.8-43175.4-69.5168.3000110.5Y93 S94 R100 A101Y93-I97 HydrophobicContact CD1-CD1 3.5Å; Y93-I97 VanDerWaalsContact CD1-CD1 3.5Å; Y93-I97 HydrophobicContact CD1-CG1 4.4Å; Y93-I97 HydrophobicContact CE1-CD1 3.2Å; Y93-I97 HydrophobicContact CE1-CG1 4.19Å; Y93-I97 HydrophobicContact CG-CD1 4.36Å; Y93-I97 WeakPolarHBondContact O-CG1 3.36Å; Y93-I97 PolarHBondContact O-N 3.44Å; S94-I97 PolarHBondContact O-N 2.93Å; I97-R100 PolarHBondContact O-N 3.29Å; I97-A101 WeakPolarHBondContact O-CB 3.45Å; I97-A101 PolarHBondContact O-N 3.05Å
98L70.9Confident65.6Low133 Ų133104.4 Ų104.470%0.69657%0.567SS**Hα-helixtrans-66.4-41.6-179-156.678.6000111.5S94 T95 M96 A101 H102S94-L98 WeakPolarHBondContact O-CB 3.42Å; S94-L98 PolarHBondContact O-N 3.33Å; T95-L98 PolarHBondContact O-N 2.9Å; M96-L98 VanDerWaalsContact C-N 3.34Å; L98-A101 PolarHBondContact O-N 3.44Å; L98-H102 WeakPolarHBondContact O-CB 3.32Å; L98-H102 PolarHBondContact O-N 2.86Å
99E71.9Confident66.6Low127 Ų127106.8 Ų106.859%0.59357%0.569SS**Hα-helixtrans-64.5-41.6174.8-168.4173.3-16200111.1T95 H102 E103T95-E99 VanDerWaalsContact O-CB 3.31Å; T95-E99 WeakPolarHBondContact O-CB 3.25Å; T95-E99 PolarHBondContact O-N 3.35Å; E99-H102 WeakPolarHBondContact O-CB 3.39Å; E99-H102 PolarHBondContact O-N 3.12Å; E99-E103 PolarHBondContact O-N 2.86Å
100R68.2Low66.6Low169 Ų169103.9 Ų103.964%0.63856%0.562SS**Hα-helixtrans-64.9-41.1175-170.2179-166.3-176.34.2112.9M96 I97 H102 E103 A104M96-R100 VanDerWaalsContact O-CB 3.25Å; M96-R100 WeakPolarHBondContact O-CB 3.37Å; M96-R100 PolarHBondContact O-N 2.87Å; I97-R100 PolarHBondContact O-N 3.29Å; R100-H102 VanDerWaalsContact C-N 3.27Å; R100-H102 PolarHBondContact O-N 2.83Å; R100-E103 PolarHBondContact O-N 3.15Å; R100-A104 WeakPolarHBondContact O-CB 3.4Å; R100-A104 PolarHBondContact O-N 3.37Å
101A73.4Confident66.6Low58 Ų58105.1 Ų105.148%0.47957%0.57SS.*Hα-helixtrans-65-35.717500000111.2I97 L98 A105I97-A101 WeakPolarHBondContact O-CB 3.45Å; I97-A101 PolarHBondContact O-N 3.05Å; L98-A101 PolarHBondContact O-N 3.44Å; A101-A105 VanDerWaalsContact O-CB 3.28Å; A101-A105 WeakPolarHBondContact O-CB 3.33Å; A101-A105 PolarHBondContact O-N 3.35Å
102H75.1Confident66.5Low121 Ų121108.5 Ų108.556%0.5658%0.584SS**Hα-helixtrans-68.4-45.1175-168.394.2000112.1L98 E99 R100 A105 I106L98-H102 WeakPolarHBondContact O-CB 3.32Å; L98-H102 PolarHBondContact O-N 2.86Å; E99-H102 WeakPolarHBondContact O-CB 3.39Å; E99-H102 PolarHBondContact O-N 3.12Å; R100-H102 VanDerWaalsContact C-N 3.27Å; R100-H102 PolarHBondContact O-N 2.83Å; H102-A105 PolarHBondContact O-N 3.39Å; H102-I106 VanDerWaalsContact CD2-CD1 3.45Å; H102-I106 WeakPolarHBondContact CD2-CD1 3.3Å; H102-I106 WeakPolarHBondContact NE2-CD1 3.31Å; H102-I106 WeakPolarHBondContact O-CG1 3.24Å; H102-I106 PolarHBondContact O-N 3.41Å; H102-I106 VanDerWaalsContact O-N 3.1Å
103E69.1Low66.4Low112 Ų112107 Ų10752%0.52359%0.587SS.*Hα-helixtrans-63.7-45.4175.8-77.3-160.3156.800112.1E99 R100 A105 I106 F107E99-E103 PolarHBondContact O-N 2.86Å; R100-E103 PolarHBondContact O-N 3.15Å; E103-A105 PolarHBondContact O-N 3.33Å; E103-I106 PolarHBondContact O-N 2.7Å; E103-I106 VanDerWaalsContact O-N 3.14Å; E103-F107 HydrophobicContact CB-CD2 4.48Å; E103-F107 PolarHBondContact O-N 3.36Å
104A72Confident66.1Low27 Ų27105.9 Ų105.922%0.22359%0.591CS.*Hα-helixtrans-62-33.1177.200000112.2R100 G108R100-A104 WeakPolarHBondContact O-CB 3.4Å; R100-A104 PolarHBondContact O-N 3.37Å; A104-G108 CarbonylContact O-C 3.57Å; A104-G108 WeakPolarHBondContact O-CA 3.46Å; A104-G108 PolarHBondContact O-N 3.12Å; A104-G108 VanDerWaalsContact O-N 3.07Å
105A71.9Confident65.6Low87 Ų87106 Ų10672%0.71959%0.589SS**Hα-helixtrans-71.7-31.9175.500000113.4A101 H102 E103A101-A105 VanDerWaalsContact O-CB 3.28Å; A101-A105 WeakPolarHBondContact O-CB 3.33Å; A101-A105 PolarHBondContact O-N 3.35Å; H102-A105 PolarHBondContact O-N 3.39Å; E103-A105 PolarHBondContact O-N 3.33Å
106I71.7Confident64.7Low101 Ų101107.6 Ų107.652%0.51860%0.604SS.*Hα-helixtrans-87.3-45.9-179-66.7177.7000112H102 E103H102-I106 VanDerWaalsContact CD2-CD1 3.45Å; H102-I106 WeakPolarHBondContact CD2-CD1 3.3Å; H102-I106 WeakPolarHBondContact NE2-CD1 3.31Å; H102-I106 WeakPolarHBondContact O-CG1 3.24Å; H102-I106 PolarHBondContact O-N 3.41Å; H102-I106 VanDerWaalsContact O-N 3.1Å; E103-I106 PolarHBondContact O-N 2.7Å; E103-I106 VanDerWaalsContact O-N 3.14Å
107F73.1Confident63.8Low165 Ų165107 Ų10772%0.72460%0.602SS**Hα-helixtrans-106.3-4-169.2-60.6-69.3000113.6E103E103-F107 HydrophobicContact CB-CD2 4.48Å; E103-F107 PolarHBondContact O-N 3.36Å
108G61.8Low62.6Low38 Ų38110.2 Ų110.239%0.39262%0.619SS.*  trans75.6170.1-169.400000112A104 S110A104-G108 CarbonylContact O-C 3.57Å; A104-G108 WeakPolarHBondContact O-CA 3.46Å; A104-G108 PolarHBondContact O-N 3.12Å; A104-G108 VanDerWaalsContact O-N 3.07Å; G108-S110 PolarHBondContact O-N 2.91Å
109H62.8Low61.2Low174 Ų174106.9 Ų106.981%0.80662%0.617SS**  trans-70.4112.5177.2-70.8-118.9000109.3S111H109-S111 PolarHBondContact O-N 3.32Å
110S54.3Low59.8Low97 Ų97108 Ų10868%0.67863%0.633SS**  trans-60.6128.1170.1173.50000110G108 V112G108-S110 PolarHBondContact O-N 2.91Å; S110-V112 PolarHBondContact O-N 3.18Å; S110-V112 PolarHBondContact OG-N 3.29Å
111S53.9Low58.6Low117 Ų117103.4 Ų103.482%0.81862%0.621SS**  trans-77.5-0.1175.956.10000113.5H109 P113H109-S111 PolarHBondContact O-N 3.32Å; S111-P113 VanDerWaalsContact O-CD 3.29Å; S111-P113 WeakPolarHBondContact O-CD 3.46Å
112V54.4Low57.6Low104 Ų104106.5 Ų106.563%0.6364%0.636SS**SBendtrans-78.6114.4179.5-176.40000108.7S110 L114S110-V112 PolarHBondContact O-N 3.18Å; S110-V112 PolarHBondContact OG-N 3.29Å; V112-L114 PolarHBondContact O-N 3.13Å
113P54.2Low56.3Low114 Ų114103.9 Ų103.974%0.7464%0.635SS**PPolyproline II helixtrans-62.1126.5172.7-9.924.3000108S111S111-P113 VanDerWaalsContact O-CD 3.29Å; S111-P113 WeakPolarHBondContact O-CD 3.46Å
114L54.1Low55.3Low130 Ų130106.3 Ų106.368%0.68165%0.647SS**PPolyproline II helixtrans-58.1139.6170.7-76.6157.6000108.6V112 S116V112-L114 PolarHBondContact O-N 3.13Å; L114-S116 PolarHBondContact O-N 2.73Å
115P51.6Low54.1Low75 Ų75107.5 Ų107.549%0.48766%0.662SS.*PPolyproline II helixtrans-54.9136.5170.124.7-32.8000108.5I117P115-I117 HydrophobicContact CB-CD1 3.96Å; P115-I117 HydrophobicContact CB-CG1 3.92Å; P115-I117 HydrophobicContact CG-CD1 3.67Å; P115-I117 HydrophobicContact CG-CG1 4.08Å; P115-I117 PolarHBondContact O-N 2.99Å
116S49.6Very low53Low113 Ų113111.2 Ų111.279%0.7966%0.662SS**SBendtrans-65.366.4179.7179.80000111.3L114L114-S116 PolarHBondContact O-N 2.73Å
117I52.4Low52Low99 Ų99114 Ų11451%0.50868%0.678SS.*  trans-103.1-12.7176.2-42.7172.6000109.8P115P115-I117 HydrophobicContact CB-CD1 3.96Å; P115-I117 HydrophobicContact CB-CG1 3.92Å; P115-I117 HydrophobicContact CG-CD1 3.67Å; P115-I117 HydrophobicContact CG-CG1 4.08Å; P115-I117 PolarHBondContact O-N 2.99Å
118L47.4Very low50.8Low153 Ų153114.9 Ų114.980%0.80168%0.681SS**SBendtrans-96.3103.4164.5-90.176.7000108.1
119G41.2Very low50.2Low63 Ų63120.1 Ų120.165%0.64970%0.699SS**  trans-50.5147168.400000111.1D121G119-D121 PolarHBondContact O-N 2.92Å
120T43.8Very low49.5Very low152 Ų152114.7 Ų114.793%0.93368%0.678SS**SBendtrans-64.820.1-172.237.20000115.7
121D43.1Very low49.3Very low71 Ų71112.6 Ų112.638%0.3866%0.663SS.*  trans-143.6115.9178.2-166.1-12.4000111.8G119 A123 E124G119-D121 PolarHBondContact O-N 2.92Å; D121-A123 PolarHBondContact O-N 3.18Å; D121-A123 VanDerWaalsContact O-N 3.12Å; D121-A123 VanDerWaalsContact OD1-CB 3.24Å; D121-A123 WeakPolarHBondContact OD1-CB 3.36Å; D121-A123 PolarHBondContact OD1-N 2.76Å; D121-E124 HydrophobicContact CB-CB 4.49Å; D121-E124 HydrophobicContact CB-CG 4.32Å; D121-E124 PolarHBondContact O-N 2.94Å
122P51.1Low49.4Very low123 Ų123111.5 Ų111.580%0.79966%0.656SS**THydrogen-bonded Turntrans-62.2-11.2172.625.9-33.2000113.8
123A48.8Very low49.4Very low66 Ų66110.5 Ų110.555%0.54565%0.649SS.*THydrogen-bonded Turntrans-82.9-24.217700000114.3D121D121-A123 PolarHBondContact O-N 3.18Å; D121-A123 VanDerWaalsContact O-N 3.12Å; D121-A123 VanDerWaalsContact OD1-CB 3.24Å; D121-A123 WeakPolarHBondContact OD1-CB 3.36Å; D121-A123 PolarHBondContact OD1-N 2.76Å
124E49.1Very low49.2Very low163 Ų163108.2 Ų108.276%0.76263%0.631SS**THydrogen-bonded Turntrans-98.4-5.9-173.1-68.6-167.6155.800114.7D121 K126D121-E124 HydrophobicContact CB-CB 4.49Å; D121-E124 HydrophobicContact CB-CG 4.32Å; D121-E124 PolarHBondContact O-N 2.94Å; E124-K126 VanDerWaalsContact C-N 3.26Å; E124-K126 PolarHBondContact O-N 3.12Å; E124-K126 VanDerWaalsContact O-N 3.11Å
125G45.4Very low49Very low53 Ų53104.1 Ų104.155%0.54661%0.611SS.*G310 helixtrans-76.89.1-171.900000117.2
126K48.9Very low49.1Very low165 Ų165103.7 Ų103.772%0.71761%0.608SS**G310 helixtrans-79.8-19.1-166.3-63.9-178.4-176.6172.90114.9E124E124-K126 VanDerWaalsContact C-N 3.26Å; E124-K126 PolarHBondContact O-N 3.12Å; E124-K126 VanDerWaalsContact O-N 3.11Å
127D51.4Low49.3Very low159 Ų159102.5 Ų102.585%0.8559%0.588SS**G310 helixtrans-113.44.7-172.2-63.5-28.4000114.5
128K47.5Very low49.2Very low183 Ų183103.2 Ų103.280%0.79659%0.589SS**  trans-121.348.1179.1-70.1173.6-176.2-90.50111.6V130K128-V130 PolarHBondContact O-N 2.77Å
129I49Very low49.6Very low148 Ų148100.2 Ų100.276%0.75957%0.573SS**  trans-72.280.1161.8-54.6175.4000106.4S131I129-S131 PolarHBondContact O-N 3.09Å; I129-S131 VanDerWaalsContact O-N 3.15Å
130V48.1Very low50.3Low60 Ų60101.6 Ų101.636%0.36457%0.566SS.*  trans-56.5119.2167.1179.50000105.7K128 S132 D134 T135K128-V130 PolarHBondContact O-N 2.77Å; V130-S132 PolarHBondContact O-N 3.03Å; V130-D134 HydrophobicContact CG1-CB 3.52Å; V130-T135 PolarHBondContact O-OG1 3.2Å
131S51.1Low50.8Low54 Ų5496.9 Ų96.938%0.37853%0.533SS..  trans-45.7135.9175.6174.70000108.8I129 V133 D134 T135I129-S131 PolarHBondContact O-N 3.09Å; I129-S131 VanDerWaalsContact O-N 3.15Å; S131-V133 CarbonylContact O-C 3.55Å; S131-V133 PolarHBondContact O-N 2.93Å; S131-V133 PolarHBondContact OG-N 3.3Å; S131-D134 WeakPolarHBondContact O-CA 3.34Å; S131-D134 PolarHBondContact O-N 3.44Å; S131-T135 PolarHBondContact O-N 2.91Å; S131-T135 PolarHBondContact O-OG1 3.36Å; S131-T135 VanDerWaalsContact O-OG1 3.14Å
132S54.3Low51.3Low94 Ų94100.5 Ų100.566%0.65755%0.547SS*.Hα-helixtrans-53.1-23.3176.753.70000112.6V130 V136V130-S132 PolarHBondContact O-N 3.03Å; S132-V136 VanDerWaalsContact O-CG2 3.24Å; S132-V136 WeakPolarHBondContact O-CG2 3.36Å; S132-V136 PolarHBondContact O-N 3.28Å; S132-V136 VanDerWaalsContact O-N 3.17Å
133V55.7Low51.4Low82 Ų8299.6 Ų99.650%0.49754%0.544SS..Hα-helixtrans-68-42.1171-1780000112S131 K137S131-V133 CarbonylContact O-C 3.55Å; S131-V133 PolarHBondContact O-N 2.93Å; S131-V133 PolarHBondContact OG-N 3.3Å; V133-K137 HydrophobicContact CG1-CD 4.42Å; V133-K137 WeakPolarHBondContact O-CB 3.35Å; V133-K137 WeakPolarHBondContact O-CG 3.34Å; V133-K137 PolarHBondContact O-N 3.4Å
134D49.6Very low51.8Low66 Ų6698.6 Ų98.635%0.35353%0.529SS..Hα-helixtrans-77.1-30.2-179.5-64.5-31.8000112.1V130 S131 K137 Q138V130-D134 HydrophobicContact CG1-CB 3.52Å; S131-D134 WeakPolarHBondContact O-CA 3.34Å; S131-D134 PolarHBondContact O-N 3.44Å; D134-K137 WeakPolarHBondContact O-CB 3.45Å; D134-K137 PolarHBondContact O-N 3Å; D134-K137 IonicContact OD1-NZ 3.28Å; D134-K137 PolarHBondContact OD1-NZ 3.17Å; D134-Q138 WeakPolarHBondContact O-CB 3.44Å; D134-Q138 WeakPolarHBondContact O-CG 3.43Å; D134-Q138 PolarHBondContact O-N 2.89Å
135T49.8Very low52.3Low44 Ų4496.4 Ų96.427%0.2752%0.523SS..Hα-helixtrans-70.6-39.2173.5-30.30000111.6V130 S131 Q138 L139V130-T135 PolarHBondContact O-OG1 3.2Å; S131-T135 PolarHBondContact O-N 2.91Å; S131-T135 PolarHBondContact O-OG1 3.36Å; S131-T135 VanDerWaalsContact O-OG1 3.14Å; T135-Q138 PolarHBondContact O-N 3.45Å; T135-L139 HydrophobicContact CG2-CD1 4.09Å; T135-L139 WeakPolarHBondContact O-CB 3.43Å; T135-L139 PolarHBondContact O-N 3.31Å
136V54.7Low52.8Low67 Ų67101.9 Ų101.941%0.40653%0.532SS..Hα-helixtrans-69.7-36.9172.5173.30000111S132 Q138 L140S132-V136 VanDerWaalsContact O-CG2 3.24Å; S132-V136 WeakPolarHBondContact O-CG2 3.36Å; S132-V136 PolarHBondContact O-N 3.28Å; S132-V136 VanDerWaalsContact O-N 3.17Å; V136-Q138 VanDerWaalsContact C-N 3.33Å; V136-Q138 PolarHBondContact O-N 2.68Å; V136-L140 HydrophobicContact CG1-CD1 4.24Å; V136-L140 PolarHBondContact O-N 3.5Å
137K52.3Low53.4Low87 Ų8798.2 Ų98.238%0.37853%0.526SS..Hα-helixtrans-59.1-43.2170.9-78.8171.7-175.5169.50111.3V133 D134 H141 W152V133-K137 HydrophobicContact CG1-CD 4.42Å; V133-K137 WeakPolarHBondContact O-CB 3.35Å; V133-K137 WeakPolarHBondContact O-CG 3.34Å; V133-K137 PolarHBondContact O-N 3.4Å; D134-K137 WeakPolarHBondContact O-CB 3.45Å; D134-K137 PolarHBondContact O-N 3Å; D134-K137 IonicContact OD1-NZ 3.28Å; D134-K137 PolarHBondContact OD1-NZ 3.17Å; K137-H141 WeakPolarHBondContact O-CB 3.26Å; K137-H141 PolarHBondContact O-CD2 3.43Å; K137-H141 PolarHBondContact O-N 2.92Å; K137-W152 HydrophobicContact CG-CH2 4.47Å
138Q51.5Low54Low114 Ų11494.2 Ų94.253%0.53351%0.505SS..Hα-helixtrans-76.1-36.5-178.6-77.7176.5100114.2D134 T135 V136 L140 H142D134-Q138 WeakPolarHBondContact O-CB 3.44Å; D134-Q138 WeakPolarHBondContact O-CG 3.43Å; D134-Q138 PolarHBondContact O-N 2.89Å; T135-Q138 PolarHBondContact O-N 3.45Å; V136-Q138 VanDerWaalsContact C-N 3.33Å; V136-Q138 PolarHBondContact O-N 2.68Å; Q138-L140 VanDerWaalsContact C-N 3.3Å; Q138-L140 PolarHBondContact O-N 3.28Å; Q138-H142 PolarHBondContact O-ND1 3.45Å
139L55Low55Low90 Ų9090 Ų9047%0.47150%0.497SS..Hα-helixtrans-77.1-10-178.5-84.9161.8000114.6T135 H142T135-L139 HydrophobicContact CG2-CD1 4.09Å; T135-L139 WeakPolarHBondContact O-CB 3.43Å; T135-L139 PolarHBondContact O-N 3.31Å; L139-H142 PolarHBondContact O-CE1 3.28Å; L139-H142 PolarHBondContact O-NE2 2.95Å
140L55.2Low56.2Low93 Ų9386.7 Ų86.749%0.48749%0.487SS..Hα-helixtrans-122.2-1.1173.2-82.1122.4000113.3V136 Q138 H142V136-L140 HydrophobicContact CG1-CD1 4.24Å; V136-L140 PolarHBondContact O-N 3.5Å; Q138-L140 VanDerWaalsContact C-N 3.3Å; Q138-L140 PolarHBondContact O-N 3.28Å; L140-H142 VanDerWaalsContact C-N 3.31Å; L140-H142 PolarHBondContact O-N 2.86Å
141H54.3Low57.1Low52 Ų5285.2 Ų85.224%0.24148%0.48CS..G310 helixtrans-70.2-24.6-175.6-140.1-57.6000114.6K137 S143 L144 K146K137-H141 WeakPolarHBondContact O-CB 3.26Å; K137-H141 PolarHBondContact O-CD2 3.43Å; K137-H141 PolarHBondContact O-N 2.92Å; H141-S143 PolarHBondContact O-N 2.88Å; H141-S143 VanDerWaalsContact O-N 3.17Å; H141-L144 PolarHBondContact O-N 3.4Å; H141-K146 WeakPolarHBondContact CE1-CE 3.24Å; H141-K146 WeakPolarHBondContact CE1-CG 3.48Å; H141-K146 VanDerWaalsContact ND1-CE 3.29Å; H141-K146 WeakPolarHBondContact ND1-CE 3.43Å; H141-K146 VanDerWaalsContact NE2-CE 3.29Å; H141-K146 WeakPolarHBondContact NE2-CE 3.32Å
142H53.6Low58Low147 Ų14786.8 Ų86.868%0.68148%0.478SS*.G310 helixtrans-69.5-15.6-168.624.6-95.2000113.1Q138 L139 L140Q138-H142 PolarHBondContact O-ND1 3.45Å; L139-H142 PolarHBondContact O-CE1 3.28Å; L139-H142 PolarHBondContact O-NE2 2.95Å; L140-H142 VanDerWaalsContact C-N 3.31Å; L140-H142 PolarHBondContact O-N 2.86Å
143S54.8Low59.1Low105 Ų10587.1 Ų87.173%0.73447%0.472SS*.G310 helixtrans-103.8-8.4-179.6-36.80000114H141H141-S143 PolarHBondContact O-N 2.88Å; H141-S143 VanDerWaalsContact O-N 3.17Å
144L56.6Low60.1Low44 Ų4486.1 Ų86.123%0.2347%0.473CS..SBendtrans-108.8107.7-177.8-81.5156.6000108.4H141 K146 A151 W155H141-L144 PolarHBondContact O-N 3.4Å; L144-K146 PolarHBondContact O-N 3.38Å; L144-A151 HydrophobicContact CD2-CB 4.01Å; L144-W155 HydrophobicContact CD1-CB 4.24Å; L144-W155 HydrophobicContact CD1-CG 3.88Å
145D58.4Low61.3Low118 Ų11885.2 Ų85.263%0.63147%0.465SS*.  trans-62119172.4-165.40.4000108.8S147 D148D145-S147 PolarHBondContact O-N 3.3Å; D145-S147 VanDerWaalsContact O-N 3.11Å; D145-S147 PolarHBondContact OD1-N 3.31Å; D145-S147 PolarHBondContact OD1-OG 2.88Å; D145-S147 PolarHBondContact OD2-OG 2.73Å; D145-D148 PolarHBondContact O-N 3.44Å
146K57.1Low62.6Low168 Ų16886.7 Ų86.773%0.7347%0.47SS*.THydrogen-bonded Turntrans-64.9-12.9-177.4-73.9176.2179.9-179.40112.6H141 L144 D148H141-K146 WeakPolarHBondContact CE1-CE 3.24Å; H141-K146 WeakPolarHBondContact CE1-CG 3.48Å; H141-K146 VanDerWaalsContact ND1-CE 3.29Å; H141-K146 WeakPolarHBondContact ND1-CE 3.43Å; H141-K146 VanDerWaalsContact NE2-CE 3.29Å; H141-K146 WeakPolarHBondContact NE2-CE 3.32Å; L144-K146 PolarHBondContact O-N 3.38Å; K146-D148 VanDerWaalsContact C-N 3.28Å
147S60.5Low63.9Low87 Ų8787.6 Ų87.661%0.60848%0.476SS*.THydrogen-bonded Turntrans-72.8-18.9-177.766.50000113.2D145 P149D145-S147 PolarHBondContact O-N 3.3Å; D145-S147 VanDerWaalsContact O-N 3.11Å; D145-S147 PolarHBondContact OD1-N 3.31Å; D145-S147 PolarHBondContact OD1-OG 2.88Å; D145-S147 PolarHBondContact OD2-OG 2.73Å; S147-P149 VanDerWaalsContact O-CD 3.29Å; S147-P149 WeakPolarHBondContact O-CD 3.3Å
148D64.5Low65.1Low76 Ų7689.1 Ų89.141%0.40648%0.482SS..  trans-10899.9-176.6-170.92000112.2D145 K146 S150 A151 W152D145-D148 PolarHBondContact O-N 3.44Å; K146-D148 VanDerWaalsContact C-N 3.28Å; D148-S150 PolarHBondContact O-N 3.05Å; D148-S150 WeakPolarHBondContact OD1-CB 3.24Å; D148-S150 PolarHBondContact OD1-N 3.14Å; D148-A151 HydrophobicContact CB-CB 3.98Å; D148-A151 PolarHBondContact O-N 3.11Å; D148-W152 PolarHBondContact O-N 2.81Å
149P68Low66.4Low95 Ų9586.2 Ų86.262%0.61747%0.47SS*.Hα-helixtrans-60.5-25.8175.523.7-31.5000112.5S147 W152 D153S147-P149 VanDerWaalsContact O-CD 3.29Å; S147-P149 WeakPolarHBondContact O-CD 3.3Å; P149-W152 PolarHBondContact O-N 3.48Å; P149-D153 PolarHBondContact O-N 2.84Å; P149-D153 VanDerWaalsContact O-N 3.14Å
150S74.5Confident67.6Low78 Ų7884.7 Ų84.755%0.54547%0.471SS..Hα-helixtrans-68.8-39.2177.2-170.80000112.1D148 W152 D153 A154D148-S150 PolarHBondContact O-N 3.05Å; D148-S150 WeakPolarHBondContact OD1-CB 3.24Å; D148-S150 PolarHBondContact OD1-N 3.14Å; S150-W152 VanDerWaalsContact C-N 3.3Å; S150-W152 PolarHBondContact O-N 3.36Å; S150-D153 PolarHBondContact O-N 2.93Å; S150-A154 WeakPolarHBondContact O-CB 3.44Å; S150-A154 PolarHBondContact O-N 3.38Å
151A68.3Low68.7Low28 Ų2886.1 Ų86.123%0.23148%0.475CS..Hα-helixtrans-65.2-35.7177.100000112L144 D148 W155L144-A151 HydrophobicContact CD2-CB 4.01Å; D148-A151 HydrophobicContact CB-CB 3.98Å; D148-A151 PolarHBondContact O-N 3.11Å; A151-W155 WeakPolarHBondContact O-CB 3.24Å; A151-W155 PolarHBondContact O-N 3.18Å
152W69.8Low69.6Low87 Ų8789.8 Ų89.833%0.3349%0.49SS..Hα-helixtrans-67.1-45.6175.5-174.2-105.9000112.3K137 D148 P149 S150 W155 L156K137-W152 HydrophobicContact CG-CH2 4.47Å; D148-W152 PolarHBondContact O-N 2.81Å; P149-W152 PolarHBondContact O-N 3.48Å; S150-W152 VanDerWaalsContact C-N 3.3Å; S150-W152 PolarHBondContact O-N 3.36Å; W152-W155 HydrophobicContact CE3-CE3 4.34Å; W152-W155 HydrophobicContact CH2-CE3 4.09Å; W152-W155 AromaticContact CH2-CZ3 3.8Å; W152-W155 HydrophobicContact CH2-CZ3 3.8Å; W152-W155 HydrophobicContact CZ2-CE3 4.44Å; W152-W155 HydrophobicContact CZ2-CZ3 4.2Å; W152-W155 HydrophobicContact CZ3-CE3 4.04Å; W152-W155 HydrophobicContact CZ3-CZ3 4.15Å; W152-W155 WeakPolarHBondContact O-CB 3.19Å; W152-W155 PolarHBondContact O-N 3.42Å; W152-L156 WeakPolarHBondContact O-CG 3.46Å; W152-L156 PolarHBondContact O-N 2.87Å
153D76.1Confident70.7Confident101 Ų10189.3 Ų89.354%0.5449%0.486SS..Hα-helixtrans-63.1-43.4176.9-75.9-19.6000111.8P149 S150 W155 L156 V157P149-D153 PolarHBondContact O-N 2.84Å; P149-D153 VanDerWaalsContact O-N 3.14Å; S150-D153 PolarHBondContact O-N 2.93Å; D153-W155 VanDerWaalsContact C-N 3.28Å; D153-W155 PolarHBondContact O-N 3.38Å; D153-L156 PolarHBondContact O-N 3.35Å; D153-V157 WeakPolarHBondContact O-CG2 3.34Å; D153-V157 PolarHBondContact O-N 3.39Å
154A77.1Confident71.7Confident61 Ų6186.7 Ų86.750%0.50447%0.471SS..Hα-helixtrans-60.2-38.3174.600000112.2S150 K158S150-A154 WeakPolarHBondContact O-CB 3.44Å; S150-A154 PolarHBondContact O-N 3.38Å; A154-K158 WeakPolarHBondContact O-CB 3.42Å; A154-K158 PolarHBondContact O-N 3.26Å
155W74.6Confident72.3Confident48 Ų4890.4 Ų90.418%0.18249%0.487CS..Hα-helixtrans-67.2-41.6176.2-179.285.3000112.4L144 A151 W152 D153 V157 K158 L159L144-W155 HydrophobicContact CD1-CB 4.24Å; L144-W155 HydrophobicContact CD1-CG 3.88Å; A151-W155 WeakPolarHBondContact O-CB 3.24Å; A151-W155 PolarHBondContact O-N 3.18Å; W152-W155 HydrophobicContact CE3-CE3 4.34Å; W152-W155 HydrophobicContact CH2-CE3 4.09Å; W152-W155 AromaticContact CH2-CZ3 3.8Å; W152-W155 HydrophobicContact CH2-CZ3 3.8Å; W152-W155 HydrophobicContact CZ2-CE3 4.44Å; W152-W155 HydrophobicContact CZ2-CZ3 4.2Å; W152-W155 HydrophobicContact CZ3-CE3 4.04Å; W152-W155 HydrophobicContact CZ3-CZ3 4.15Å; W152-W155 WeakPolarHBondContact O-CB 3.19Å; W152-W155 PolarHBondContact O-N 3.42Å; D153-W155 VanDerWaalsContact C-N 3.28Å; D153-W155 PolarHBondContact O-N 3.38Å; W155-V157 VanDerWaalsContact C-N 3.33Å; W155-V157 PolarHBondContact O-N 2.92Å; W155-K158 PolarHBondContact O-N 3.48Å; W155-L159 HydrophobicContact CH2-CD2 3.74Å; W155-L159 HydrophobicContact CZ2-CD2 4.3Å; W155-L159 HydrophobicContact CZ3-CD2 3.96Å; W155-L159 WeakPolarHBondContact O-CB 3.45Å; W155-L159 PolarHBondContact O-N 3.48Å
156L78.5Confident72.7Confident75 Ų7593.5 Ų93.539%0.39349%0.49SS..Hα-helixtrans-61.5-41.3176.2-73.4175.6000112W152 D153 L159 A160W152-L156 WeakPolarHBondContact O-CG 3.46Å; W152-L156 PolarHBondContact O-N 2.87Å; D153-L156 PolarHBondContact O-N 3.35Å; L156-L159 PolarHBondContact O-N 2.98Å; L156-A160 PolarHBondContact O-N 3.17Å
157V81Confident73.2Confident85 Ų8589.6 Ų89.652%0.51548%0.48SS..Hα-helixtrans-60.5-49.8173.5173.70000110.4D153 W155 L159 A160 E161D153-V157 WeakPolarHBondContact O-CG2 3.34Å; D153-V157 PolarHBondContact O-N 3.39Å; W155-V157 VanDerWaalsContact C-N 3.33Å; W155-V157 PolarHBondContact O-N 2.92Å; V157-L159 VanDerWaalsContact C-N 3.29Å; V157-L159 PolarHBondContact O-N 3.43Å; V157-A160 WeakPolarHBondContact O-CB 3.39Å; V157-A160 PolarHBondContact O-N 2.85Å; V157-A160 VanDerWaalsContact O-N 3.08Å; V157-E161 PolarHBondContact O-N 3.41Å
158K78.2Confident73.5Confident120 Ų12090.7 Ų90.752%0.52248%0.479SS..Hα-helixtrans-60.9-37.2179-165.2170.8-172.2173.10112.5A154 W155 E161 F162A154-K158 WeakPolarHBondContact O-CB 3.42Å; A154-K158 PolarHBondContact O-N 3.26Å; W155-K158 PolarHBondContact O-N 3.48Å; K158-E161 PolarHBondContact O-N 3.03Å; K158-F162 HydrophobicContact CD-CE2 4.34Å; K158-F162 HydrophobicContact CG-CD2 4.06Å; K158-F162 HydrophobicContact CG-CE2 3.83Å; K158-F162 WeakPolarHBondContact O-CD2 3.4Å; K158-F162 PolarHBondContact O-N 3.08Å
159L78.7Confident73.3Confident53 Ų5393.4 Ų93.428%0.27749%0.487SS..Hα-helixtrans-65.4-40.4175.1-175.766.6000111.7W155 L156 V157 F162 K163W155-L159 HydrophobicContact CH2-CD2 3.74Å; W155-L159 HydrophobicContact CZ2-CD2 4.3Å; W155-L159 HydrophobicContact CZ3-CD2 3.96Å; W155-L159 WeakPolarHBondContact O-CB 3.45Å; W155-L159 PolarHBondContact O-N 3.48Å; L156-L159 PolarHBondContact O-N 2.98Å; V157-L159 VanDerWaalsContact C-N 3.29Å; V157-L159 PolarHBondContact O-N 3.43Å; L159-F162 PolarHBondContact O-N 3.27Å; L159-K163 WeakPolarHBondContact O-CG 2.99Å; L159-K163 PolarHBondContact O-N 3.47Å
160A79.7Confident72.7Confident58 Ų5893 Ų9348%0.47948%0.479SS..Hα-helixtrans-63.8-42.5174.900000111.5L156 V157 K163 A164L156-A160 PolarHBondContact O-N 3.17Å; V157-A160 WeakPolarHBondContact O-CB 3.39Å; V157-A160 PolarHBondContact O-N 2.85Å; V157-A160 VanDerWaalsContact O-N 3.08Å; A160-K163 PolarHBondContact O-N 3.48Å; A160-A164 PolarHBondContact O-N 2.98Å
161E78.1Confident71.9Confident123 Ų12392 Ų9258%0.57547%0.471SS*.Hα-helixtrans-60.1-45.5174.1-70.1177.1172.500112.1V157 K158 K163 A164 H165V157-E161 PolarHBondContact O-N 3.41Å; K158-E161 PolarHBondContact O-N 3.03Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 3.45Å; E161-A164 PolarHBondContact O-N 2.83Å; E161-H165 WeakPolarHBondContact O-CB 3.41Å; E161-H165 PolarHBondContact O-N 3.24Å
162F73.8Confident71.4Confident128 Ų12893.4 Ų93.456%0.56148%0.48SS*.Hα-helixtrans-61.8-39.1176.2-86-61.4000112.6K158 L159 H165 R166K158-F162 HydrophobicContact CD-CE2 4.34Å; K158-F162 HydrophobicContact CG-CD2 4.06Å; K158-F162 HydrophobicContact CG-CE2 3.83Å; K158-F162 WeakPolarHBondContact O-CD2 3.4Å; K158-F162 PolarHBondContact O-N 3.08Å; L159-F162 PolarHBondContact O-N 3.27Å; F162-H165 PolarHBondContact O-N 3.31Å; F162-R166 PolarHBondContact O-N 3.46Å
163K76.3Confident70.5Confident138 Ų13892.3 Ų92.360%0.648%0.483SS*.Hα-helixtrans-62.7-47.3174-75.5179.8178.9-178.50111L159 A160 E161 H165 R166 V167L159-K163 WeakPolarHBondContact O-CG 2.99Å; L159-K163 PolarHBondContact O-N 3.47Å; A160-K163 PolarHBondContact O-N 3.48Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 3.45Å; K163-H165 PolarHBondContact O-N 2.92Å; K163-R166 PolarHBondContact O-N 3.08Å; K163-V167 WeakPolarHBondContact O-CG2 3.29Å; K163-V167 PolarHBondContact O-N 3.02Å; K163-V167 VanDerWaalsContact O-N 3.08Å
164A75.1Confident69.6Low50 Ų5091.6 Ų91.641%0.41348%0.478SS..Hα-helixtrans-61.6-43177.100000112A160 E161 R166 V167 N168A160-A164 PolarHBondContact O-N 2.98Å; E161-A164 PolarHBondContact O-N 2.83Å; A164-R166 PolarHBondContact O-N 3.15Å; A164-V167 PolarHBondContact O-N 3.2Å; A164-N168 PolarHBondContact O-N 3.31Å; A164-N168 PolarHBondContact O-ND2 2.95Å
165H69.9Low68.6Low122 Ų12293.6 Ų93.657%0.56548%0.48SS*.Hα-helixtrans-64.4-38.8177.8-169.3-81.8000112.2E161 F162 K163 N168 K169E161-H165 WeakPolarHBondContact O-CB 3.41Å; E161-H165 PolarHBondContact O-N 3.24Å; F162-H165 PolarHBondContact O-N 3.31Å; K163-H165 PolarHBondContact O-N 2.92Å; H165-N168 PolarHBondContact O-N 3.17Å; H165-K169 VanDerWaalsContact O-CB 3.32Å; H165-K169 WeakPolarHBondContact O-CB 3.21Å; H165-K169 PolarHBondContact O-N 3.44Å
166R66.8Low67.6Low182 Ų18295.3 Ų95.369%0.68750%0.496SS*.Hα-helixtrans-62.1-46.1173.3-81.7-176.871.3172.12.7111.7F162 K163 A164 N168 K169 I170F162-R166 PolarHBondContact O-N 3.46Å; K163-R166 PolarHBondContact O-N 3.08Å; A164-R166 PolarHBondContact O-N 3.15Å; R166-N168 PolarHBondContact O-N 3.28Å; R166-K169 PolarHBondContact O-N 2.72Å; R166-I170 WeakPolarHBondContact O-CD1 3.29Å; R166-I170 VanDerWaalsContact O-CG1 3.24Å; R166-I170 WeakPolarHBondContact O-CG1 3.14Å; R166-I170 PolarHBondContact O-N 2.92Å
167V67.2Low66.4Low87 Ų8796.6 Ų96.653%0.52750%0.503SS..Hα-helixtrans-59.6-47.5177.1173.20000110.4K163 A164 K169 I170 S171K163-V167 WeakPolarHBondContact O-CG2 3.29Å; K163-V167 PolarHBondContact O-N 3.02Å; K163-V167 VanDerWaalsContact O-N 3.08Å; A164-V167 PolarHBondContact O-N 3.2Å; V167-K169 VanDerWaalsContact C-N 3.34Å; V167-K169 PolarHBondContact O-N 2.84Å; V167-I170 PolarHBondContact O-N 3.31Å; V167-S171 WeakPolarHBondContact O-CB 3.42Å; V167-S171 PolarHBondContact O-N 3.46Å; V167-S171 PolarHBondContact O-OG 3.04Å; V167-S171 VanDerWaalsContact O-OG 3.08Å
168N67.1Low65.1Low109 Ų10998 Ų9858%0.58350%0.504SS*.Hα-helixtrans-62.3-40.2177.7-71.8-20.3000112.5A164 H165 R166 S171 S172A164-N168 PolarHBondContact O-N 3.31Å; A164-N168 PolarHBondContact O-ND2 2.95Å; H165-N168 PolarHBondContact O-N 3.17Å; R166-N168 PolarHBondContact O-N 3.28Å; N168-S171 PolarHBondContact O-N 3.46Å; N168-S172 VanDerWaalsContact O-CB 3.3Å; N168-S172 WeakPolarHBondContact O-CB 3.11Å; N168-S172 PolarHBondContact O-N 2.9Å; N168-S172 PolarHBondContact O-OG 3.41Å
169K60.6Low63.8Low133 Ų13399.4 Ų99.458%0.57851%0.51SS*.Hα-helixtrans-65.6-43.6177.8-161175.8-175.5-179.10111.2H165 R166 V167 S172 T173H165-K169 VanDerWaalsContact O-CB 3.32Å; H165-K169 WeakPolarHBondContact O-CB 3.21Å; H165-K169 PolarHBondContact O-N 3.44Å; R166-K169 PolarHBondContact O-N 2.72Å; V167-K169 VanDerWaalsContact C-N 3.34Å; V167-K169 PolarHBondContact O-N 2.84Å; K169-S172 PolarHBondContact O-N 2.96Å; K169-S172 PolarHBondContact O-OG 3.37Å; K169-T173 WeakPolarHBondContact O-CG2 3.43Å; K169-T173 PolarHBondContact O-N 3.21Å; K169-T173 PolarHBondContact O-OG1 3.21Å
170I56.1Low62.7Low88 Ų88104.8 Ų104.845%0.45153%0.532SS..Hα-helixtrans-63.6-45.5175.8-66.2164000110.9R166 V167 S172 T173 I174R166-I170 WeakPolarHBondContact O-CD1 3.29Å; R166-I170 VanDerWaalsContact O-CG1 3.24Å; R166-I170 WeakPolarHBondContact O-CG1 3.14Å; R166-I170 PolarHBondContact O-N 2.92Å; V167-I170 PolarHBondContact O-N 3.31Å; I170-S172 VanDerWaalsContact C-N 3.3Å; I170-S172 PolarHBondContact O-N 3.08Å; I170-T173 WeakPolarHBondContact CA-OG1 3.42Å; I170-T173 PolarHBondContact O-N 3.5Å; I170-T173 PolarHBondContact O-OG1 3.18Å; I170-I174 HydrophobicContact CG2-CD1 3.7Å; I170-I174 HydrophobicContact CG2-CG1 4.43Å; I170-I174 VanDerWaalsContact O-CG1 3.24Å; I170-I174 WeakPolarHBondContact O-CG1 3.49Å; I170-I174 PolarHBondContact O-N 3.41Å
171S57.8Low61.5Low55 Ų55110.6 Ų110.639%0.38554%0.541SS..Hα-helixtrans-62.2-37.8175.8-630000112.1V167 N168 N175V167-S171 WeakPolarHBondContact O-CB 3.42Å; V167-S171 PolarHBondContact O-N 3.46Å; V167-S171 PolarHBondContact O-OG 3.04Å; V167-S171 VanDerWaalsContact O-OG 3.08Å; N168-S171 PolarHBondContact O-N 3.46Å; S171-N175 WeakPolarHBondContact O-CB 3.48Å; S171-N175 PolarHBondContact O-N 3.24Å; S171-N175 PolarHBondContact O-ND2 3.4Å
172S56.1Low60.4Low59 Ų59110.5 Ų110.541%0.41354%0.544SS..Hα-helixtrans-69.2-38177.178.30000112.7N168 K169 I170 T176N168-S172 VanDerWaalsContact O-CB 3.3Å; N168-S172 WeakPolarHBondContact O-CB 3.11Å; N168-S172 PolarHBondContact O-N 2.9Å; N168-S172 PolarHBondContact O-OG 3.41Å; K169-S172 PolarHBondContact O-N 2.96Å; K169-S172 PolarHBondContact O-OG 3.37Å; I170-S172 VanDerWaalsContact C-N 3.3Å; I170-S172 PolarHBondContact O-N 3.08Å; S172-T176 WeakPolarHBondContact O-CB 3.49Å; S172-T176 WeakPolarHBondContact O-CG2 3.42Å; S172-T176 PolarHBondContact O-N 2.95Å; S172-T176 PolarHBondContact O-OG1 3.03Å
173T52.4Low59.6Low64 Ų64110.6 Ų110.639%0.39355%0.55SS..Hα-helixtrans-72.9-34.9177.254.50000111.5K169 I170 T176 N177K169-T173 WeakPolarHBondContact O-CG2 3.43Å; K169-T173 PolarHBondContact O-N 3.21Å; K169-T173 PolarHBondContact O-OG1 3.21Å; I170-T173 WeakPolarHBondContact CA-OG1 3.42Å; I170-T173 PolarHBondContact O-N 3.5Å; I170-T173 PolarHBondContact O-OG1 3.18Å; T173-T176 WeakPolarHBondContact CA-OG1 3.4Å; T173-T176 PolarHBondContact O-OG1 3.11Å; T173-T176 VanDerWaalsContact O-OG1 3.09Å; T173-N177 WeakPolarHBondContact O-CB 3.44Å; T173-N177 PolarHBondContact O-N 2.82Å; T173-N177 VanDerWaalsContact O-N 3.12Å; T173-N177 PolarHBondContact O-ND2 3.38Å
174I55.8Low58.3Low85 Ų85107 Ų10744%0.43655%0.552SS.*Hα-helixtrans-65.1-48.2173.5-67.2165.8000110.5I170 T176 N177 Q178I170-I174 HydrophobicContact CG2-CD1 3.7Å; I170-I174 HydrophobicContact CG2-CG1 4.43Å; I170-I174 VanDerWaalsContact O-CG1 3.24Å; I170-I174 WeakPolarHBondContact O-CG1 3.49Å; I170-I174 PolarHBondContact O-N 3.41Å; I174-T176 PolarHBondContact O-N 3.39Å; I174-N177 PolarHBondContact O-N 3.36Å; I174-Q178 WeakPolarHBondContact O-CG 3.45Å; I174-Q178 PolarHBondContact O-N 3.14Å
175N55.9Low56.9Low103 Ų103112 Ų11255%0.55157%0.57SS**Hα-helixtrans-65.6-37.6-179.6-81-26.7000113.5S171 Q178 K179S171-N175 WeakPolarHBondContact O-CB 3.48Å; S171-N175 PolarHBondContact O-N 3.24Å; S171-N175 PolarHBondContact O-ND2 3.4Å; N175-Q178 PolarHBondContact O-N 2.97Å; N175-K179 WeakPolarHBondContact O-CB 3.4Å; N175-K179 PolarHBondContact O-N 3.02Å
176T55.1Low55.3Low84 Ų84113.4 Ų113.452%0.51562%0.618SS.*Hα-helixtrans-68.9-36.8176.145.50000112.3S172 T173 I174 K180S172-T176 WeakPolarHBondContact O-CB 3.49Å; S172-T176 WeakPolarHBondContact O-CG2 3.42Å; S172-T176 PolarHBondContact O-N 2.95Å; S172-T176 PolarHBondContact O-OG1 3.03Å; T173-T176 WeakPolarHBondContact CA-OG1 3.4Å; T173-T176 PolarHBondContact O-OG1 3.11Å; T173-T176 VanDerWaalsContact O-OG1 3.09Å; I174-T176 PolarHBondContact O-N 3.39Å; T176-K180 PolarHBondContact O-N 3.21Å
177N52.2Low54.8Low102 Ų102110 Ų11055%0.54561%0.614SS.*Hα-helixtrans-70.9-34.8174.1-75.8-53.6000112.5T173 I174 R181T173-N177 WeakPolarHBondContact O-CB 3.44Å; T173-N177 PolarHBondContact O-N 2.82Å; T173-N177 VanDerWaalsContact O-N 3.12Å; T173-N177 PolarHBondContact O-ND2 3.38Å; I174-N177 PolarHBondContact O-N 3.36Å; N177-R181 WeakPolarHBondContact O-CG 3.29Å; N177-R181 PolarHBondContact O-N 2.97Å
178Q53.6Low54.1Low114 Ų114111.2 Ų111.253%0.53362%0.619SS.*Hα-helixtrans-69.9-42.7173.3-72-164-2.700112.4I174 N175 K180 R181 I182I174-Q178 WeakPolarHBondContact O-CG 3.45Å; I174-Q178 PolarHBondContact O-N 3.14Å; N175-Q178 PolarHBondContact O-N 2.97Å; Q178-K180 VanDerWaalsContact C-N 3.31Å; Q178-K180 PolarHBondContact O-N 3.45Å; Q178-R181 PolarHBondContact O-N 3.23Å; Q178-I182 WeakPolarHBondContact O-CG1 3.18Å; Q178-I182 PolarHBondContact O-N 3.42Å
179K51.7Low53.4Low150 Ų150111.3 Ų111.365%0.65262%0.621SS**Hα-helixtrans-63.8-33.9178.6-165.3171.9-177.3176.70112.9N175 N183N175-K179 WeakPolarHBondContact O-CB 3.4Å; N175-K179 PolarHBondContact O-N 3.02Å; K179-N183 PolarHBondContact O-N 3.07Å
180K54.5Low53Low166 Ų166110.1 Ų110.172%0.72262%0.624SS**Hα-helixtrans-68.1-30.7171.8-88.5-175.4175.1-179.90113.5T176 Q178 G184T176-K180 PolarHBondContact O-N 3.21Å; Q178-K180 VanDerWaalsContact C-N 3.31Å; Q178-K180 PolarHBondContact O-N 3.45Å; K180-G184 PolarHBondContact O-N 2.94Å
181R54.7Low52.8Low180 Ų180111.4 Ų111.468%0.67963%0.634SS**Hα-helixtrans-75.1-30.4178.2-69.9177.284.4170.85.8112.7N177 Q178N177-R181 WeakPolarHBondContact O-CG 3.29Å; N177-R181 PolarHBondContact O-N 2.97Å; Q178-R181 PolarHBondContact O-N 3.23Å
182I56.6Low52.4Low122 Ų122115.2 Ų115.263%0.62665%0.651SS**Hα-helixtrans-78.6-33.9179.8-59162.5000111.4Q178Q178-I182 WeakPolarHBondContact O-CG1 3.18Å; Q178-I182 PolarHBondContact O-N 3.42Å
183N56.7Low52.2Low129 Ų129119.2 Ų119.269%0.6967%0.668SS**THydrogen-bonded Turntrans-91.62.5-178.5-71.27.8000114.5K179K179-N183 PolarHBondContact O-N 3.07Å
184G48.2Very low52.1Low63 Ų63123.5 Ų123.565%0.64969%0.689SS**THydrogen-bonded Turntrans-1018.5-178.700000114.8K180K180-G184 PolarHBondContact O-N 2.94Å
185I46.7Very low51.8Low155 Ų155126.7 Ų126.780%0.79571%0.71SS**  trans-109.189.5175.5-60.2158.5000106.1
186G36.3Very low51.5Low152 Ų152128.8 Ų128.8100%1.56773%0.725SS**  trans176.50-178.900000111.7

Retrieved 186 of 186 residues in 140.4 ms (Link to these results)