A0A087XTG5_POEFO Loading...

Spindle and centriole-associated protein 1

AlphaFold DB , UniProt , Accession A0A087XTG5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 745 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
1M36.7Very low35.9Very low233 Ų233173.4 Ų173.4100%1.14887%0.867SS**  01530-103.2-164.7-171.800109.3
2L36.1Very low35.6Very low162 Ų162171.8 Ų171.885%0.84886%0.855SS**  trans63.3127.2174.5-81.591.8000120
3L36.1Very low36Very low152 Ų152167.3 Ų167.380%0.79685%0.846SS**  trans-79.3162167.5-57.377.8000110.4
4R39.1Very low36.1Very low249 Ų249169.6 Ų169.694%0.9485%0.848SS**  trans-138.9124.4141.3-163169.7-175.7170.31.2111
5T39.8Very low36Very low126 Ų126163.3 Ų163.377%0.77384%0.842SS**  trans-93.3154.2-179.744.20000111.5
6G32.3Very low36.5Very low77 Ų77165.9 Ų165.979%0.79485%0.845SS**  trans-163.3127.517200000110.3
7R33.3Very low36.8Very low252 Ų252170.5 Ų170.595%0.95185%0.85SS**  trans-96.4166-170.3-104.1-174.5174.6-179.9-0.8113
8P44.8Very low37.1Very low124 Ų124170.2 Ų170.281%0.80585%0.85SS**  trans-92.9165.5-163.137.5-37.9000114.6
9Q31.2Very low37.4Very low179 Ų179169.7 Ų169.784%0.83685%0.849SS**  trans-132.1109.8172-170.5162.8-14.300113.7
10Q33.6Very low37.7Very low175 Ų175172.9 Ų172.982%0.81885%0.851SS**  trans40.7130.6149.9-68.9-177.3-12.100123.1
11Q32.3Very low38.6Very low178 Ų178170.5 Ų170.583%0.83285%0.848SS**  trans-74.4148.8166.7-59161.6-11.600112.2
12Q31.8Very low39.3Very low155 Ų155169.3 Ų169.372%0.72484%0.837SS**  trans-137.8115.8159.3-83.1-67.3-31.300110.3
13P41.5Very low40.3Very low113 Ų113171.3 Ų171.373%0.73484%0.839SS**  trans-110.6107.4178.135.2-25.6000112.2
14K36.3Very low41.1Very low200 Ų200168.4 Ų168.487%0.8784%0.836SS**  trans-140.9129.9172.4-68-172.2-178.6175.40112.5
15G34.7Very low41.7Very low74 Ų74161.3 Ų161.376%0.76383%0.831SS**  trans171.79.9-179.900000117.6R17G15-R17 PolarHBondContact O-N 3.18Å
16K44.9Very low42.7Very low206 Ų206159.3 Ų159.390%0.89683%0.827SS**  trans-75.2116174.6-67.8-176.7-179.3179.60109.6L18K16-L18 PolarHBondContact O-N 3.03Å
17R40.8Very low44.1Very low243 Ų243161.5 Ų161.592%0.91783%0.827SS**PPolyproline II helixtrans-67.1127.3176.6-66.7-179.3179178-0.9110G15 I19G15-R17 PolarHBondContact O-N 3.18Å; R17-I19 PolarHBondContact O-N 3.11Å
18L42Very low45.2Very low165 Ų165158.6 Ų158.686%0.86482%0.822SS**PPolyproline II helixtrans-65.1130173.2-8871.9000110.3K16 R20K16-L18 PolarHBondContact O-N 3.03Å; L18-R20 PolarHBondContact O-N 2.82Å
19I43.4Very low46.3Very low162 Ų162160.4 Ų160.483%0.83182%0.817SS**PPolyproline II helixtrans-71.3118.7164.8-62.1170.2000106.7R17R17-I19 PolarHBondContact O-N 3.11Å
20R43.8Very low47.9Very low233 Ų233159.1 Ų159.188%0.87982%0.815SS**PPolyproline II helixtrans-64.8128.7174.1-76.4-178.3172.3175.5-2.9109.2L18L18-R20 PolarHBondContact O-N 2.82Å
21P55.8Low49.1Very low122 Ų122159.8 Ų159.879%0.79281%0.811SS**PPolyproline II helixtrans-64.1141.4172.126.5-32.8000110.4K23P21-K23 PolarHBondContact O-N 2.9Å
22K50.7Low49.7Very low209 Ų209157.2 Ų157.291%0.90981%0.807SS**PPolyproline II helixtrans-65.6116.7-179.5-164.3175.7-177.6-177.90108.7A24K22-A24 PolarHBondContact O-N 3.2Å; K22-A24 VanDerWaalsContact O-N 3.16Å
23K57.8Low51.1Low204 Ų204155.6 Ų155.689%0.88781%0.812SS**PPolyproline II helixtrans-61.6117.2-177.8-166.5175.2-176.1-179.70109.3P21P21-K23 PolarHBondContact O-N 2.9Å
24A53.7Low52Low90 Ų90155.3 Ų155.374%0.74481%0.809SS**PPolyproline II helixtrans-59139.8173.700000109.7K22 A26K22-A24 PolarHBondContact O-N 3.2Å; K22-A24 VanDerWaalsContact O-N 3.16Å; A24-A26 PolarHBondContact O-N 3.35Å
25A51.3Low52.8Low100 Ų100152.6 Ų152.683%0.82681%0.809SS**PPolyproline II helixtrans-65.8128.1175.800000109
26A61.3Low53.8Low84 Ų84155 Ų15569%0.69480%0.804SS**PPolyproline II helixtrans-64.5143.9173.800000109.7A24 K28A24-A26 PolarHBondContact O-N 3.35Å; A26-K28 PolarHBondContact O-N 3.22Å
27P60.3Low54.5Low123 Ų123150.3 Ų150.380%0.79979%0.789SS**PPolyproline II helixtrans-58.2127.4170.125.8-33000108.4K29P27-K29 PolarHBondContact O-N 3.34Å
28K58.1Low55.5Low192 Ų192143.3 Ų143.384%0.83577%0.769SS**PPolyproline II helixtrans-63.6127172.1-71-179.9179.7176.20106.9A26A26-K28 PolarHBondContact O-N 3.22Å
29K67.8Low56.3Low162 Ų162137.9 Ų137.970%0.70475%0.745SS**PPolyproline II helixtrans-93.3121.3-178.3-166.7-179.9158.6-172.90106.1P27 W31P27-K29 PolarHBondContact O-N 3.34Å; K29-W31 VanDerWaalsContact C-CD1 3.49Å; K29-W31 HydrophobicContact CD-CZ2 4.11Å; K29-W31 PolarHBondContact O-N 2.9Å; K29-W31 VanDerWaalsContact O-N 3.14Å
30D63.8Low57.1Low151 Ų151136.1 Ų136.181%0.80774%0.742SS**  trans-78.399.1-171.2-59.6-47.1000111.1
31W58.1Low57.8Low190 Ų190131.8 Ų131.872%0.7273%0.731SS**  trans-103.999.7-179.6-62.126.3000107.4K29K29-W31 VanDerWaalsContact C-CD1 3.49Å; K29-W31 HydrophobicContact CD-CZ2 4.11Å; K29-W31 PolarHBondContact O-N 2.9Å; K29-W31 VanDerWaalsContact O-N 3.14Å
32V45Very low58.6Low123 Ų123132.7 Ų132.775%0.74572%0.722SS**  trans62.777.7167.6-160.80000114.3T34V32-T34 PolarHBondContact O-N 2.97Å
33S61.3Low59.6Low121 Ų121125.8 Ų125.885%0.84670%0.695SS**  trans-79.646.8173.2-1760000113.2
34T60.2Low60.8Low108 Ų108120.7 Ų120.766%0.66368%0.681SS**  trans-148.1148.1173.325.50000110.7V32V32-T34 PolarHBondContact O-N 2.97Å
35V53.5Low62.2Low143 Ų143120.8 Ų120.887%0.86768%0.677SS**SBendtrans76.4107.2-172.5-167.20000113.9
36N55.8Low63.6Low123 Ų123119.2 Ų119.266%0.65866%0.663SS**  trans59.788.4172.6-134.144.3000114.9L38N36-L38 VanDerWaalsContact C-N 3.34Å; N36-L38 PolarHBondContact O-N 3.06Å
37D59.5Low64.7Low109 Ų109118.2 Ų118.258%0.58364%0.644SS**  trans-66.397.4168.2-173.59.7000109.8S39 V40D37-S39 VanDerWaalsContact CG-CB 3.45Å; D37-S39 PolarHBondContact O-N 2.99Å; D37-S39 WeakPolarHBondContact OD1-CB 3.4Å; D37-S39 PolarHBondContact OD1-N 3.47Å; D37-S39 PolarHBondContact OD1-OG 3.05Å; D37-S39 VanDerWaalsContact OD2-CB 3.24Å; D37-S39 WeakPolarHBondContact OD2-CB 3.49Å; D37-S39 PolarHBondContact OD2-OG 3.46Å; D37-V40 PolarHBondContact O-N 3.39Å
38L62.7Low66Low95 Ų95116 Ų11650%0.49763%0.626SS.*G310 helixtrans-62.30.9174.6-62.5174.4000112.3N36 V40 H41 K42N36-L38 VanDerWaalsContact C-N 3.34Å; N36-L38 PolarHBondContact O-N 3.06Å; L38-V40 PolarHBondContact O-N 3.22Å; L38-H41 CarbonylContact O-C 3.58Å; L38-H41 PolarHBondContact O-N 3.44Å; L38-K42 WeakPolarHBondContact O-CG 3.26Å; L38-K42 PolarHBondContact O-N 3.08Å
39S59.4Low67.1Low52 Ų52110.7 Ų110.736%0.36461%0.611SS.*G310 helixtrans-52.8-32.9163.776.10000113D37 H41 K42D37-S39 VanDerWaalsContact CG-CB 3.45Å; D37-S39 PolarHBondContact O-N 2.99Å; D37-S39 WeakPolarHBondContact OD1-CB 3.4Å; D37-S39 PolarHBondContact OD1-N 3.47Å; D37-S39 PolarHBondContact OD1-OG 3.05Å; D37-S39 VanDerWaalsContact OD2-CB 3.24Å; D37-S39 WeakPolarHBondContact OD2-CB 3.49Å; D37-S39 PolarHBondContact OD2-OG 3.46Å; S39-H41 PolarHBondContact O-N 3.1Å; S39-H41 VanDerWaalsContact O-N 3.14Å; S39-K42 CarbonylContact O-C 3.5Å; S39-K42 PolarHBondContact O-N 2.87Å
40V58.4Low67.8Low125 Ų125107.9 Ų107.976%0.75860%0.601SS**G310 helixtrans-61-25.1174.7-1750000112D37 L38D37-V40 PolarHBondContact O-N 3.39Å; L38-V40 PolarHBondContact O-N 3.22Å
41H58.9Low69.1Low141 Ų141106.3 Ų106.365%0.65358%0.583SS**G310 helixtrans-103.8-8.9173.5-60.6-53.2000113.9L38 S39 L43L38-H41 CarbonylContact O-C 3.58Å; L38-H41 PolarHBondContact O-N 3.44Å; S39-H41 PolarHBondContact O-N 3.1Å; S39-H41 VanDerWaalsContact O-N 3.14Å; H41-L43 PolarHBondContact O-N 3.48Å
42K73.4Confident70.3Confident141 Ų141103.2 Ų103.261%0.61358%0.577SS**SBendtrans-82.2108.6168.1-66.1167.1-164.6153.10106.8L38 S39 T44L38-K42 WeakPolarHBondContact O-CG 3.26Å; L38-K42 PolarHBondContact O-N 3.08Å; S39-K42 CarbonylContact O-C 3.5Å; S39-K42 PolarHBondContact O-N 2.87Å; K42-T44 PolarHBondContact O-N 3.22Å
43L71.4Confident72.2Confident65 Ų65102.7 Ų102.734%0.3457%0.566SS.*  trans-43.1126.4170.2-74.661.5000109.3H41 E47 L48 R51H41-L43 PolarHBondContact O-N 3.48Å; L43-E47 HydrophobicContact CB-CB 4.41Å; L43-E47 HydrophobicContact CB-CG 4Å; L43-E47 HydrophobicContact CD2-CG 4.26Å; L43-E47 HydrophobicContact CG-CG 4.1Å; L43-L48 HydrophobicContact CB-CD1 4.49Å; L43-L48 HydrophobicContact CB-CD2 3.93Å; L43-L48 HydrophobicContact CB-CG 3.76Å; L43-L48 HydrophobicContact CD2-CD2 3.82Å; L43-L48 HydrophobicContact CD2-CG 4.47Å; L43-R51 VanDerWaalsContact CD2-CZ 3.48Å
44T83.3Confident73.1Confident96 Ų96102.1 Ų102.159%0.58955%0.552SS**  trans-45.7144.9177.3-49.40000110K42 A46 E47 L48K42-T44 PolarHBondContact O-N 3.22Å; T44-A46 HydrophobicContact CG2-CB 4.16Å; T44-A46 PolarHBondContact O-N 2.79Å; T44-A46 VanDerWaalsContact O-N 3.12Å; T44-E47 CarbonylContact O-C 3.55Å; T44-E47 WeakPolarHBondContact O-CA 3.24Å; T44-E47 WeakPolarHBondContact O-CB 3.39Å; T44-E47 PolarHBondContact O-N 3.01Å; T44-L48 PolarHBondContact O-N 3.45Å
45S81.9Confident74.1Confident93 Ų93104.2 Ų104.265%0.6555%0.554SS**Hα-helixtrans-52.8-37.6177.3510000112.3C49S45-C49 WeakPolarHBondContact O-CB 3.42Å; S45-C49 PolarHBondContact O-N 2.68Å; S45-C49 PolarHBondContact O-SG 3.38Å
46A81.8Confident75.3Confident66 Ų66102.5 Ų102.555%0.54554%0.535SS..Hα-helixtrans-61.3-45.9170.900000113.3T44 C49 H50T44-A46 HydrophobicContact CG2-CB 4.16Å; T44-A46 PolarHBondContact O-N 2.79Å; T44-A46 VanDerWaalsContact O-N 3.12Å; A46-C49 CarbonylContact O-C 3.54Å; A46-C49 WeakPolarHBondContact O-CB 3.46Å; A46-C49 PolarHBondContact O-N 2.87Å; A46-H50 WeakPolarHBondContact O-CB 3.44Å; A46-H50 PolarHBondContact O-N 3.5Å
47E84.7Confident76.3Confident63 Ų63100.2 Ų100.229%0.29453%0.529SS..Hα-helixtrans-66.3-38.3177.6173.562-173.500112.1L43 T44 H50 R51L43-E47 HydrophobicContact CB-CB 4.41Å; L43-E47 HydrophobicContact CB-CG 4Å; L43-E47 HydrophobicContact CD2-CG 4.26Å; L43-E47 HydrophobicContact CG-CG 4.1Å; T44-E47 CarbonylContact O-C 3.55Å; T44-E47 WeakPolarHBondContact O-CA 3.24Å; T44-E47 WeakPolarHBondContact O-CB 3.39Å; T44-E47 PolarHBondContact O-N 3.01Å; E47-H50 PolarHBondContact O-N 3.03Å; E47-R51 WeakPolarHBondContact O-CG 3.37Å; E47-R51 PolarHBondContact O-N 3.36Å; E47-R51 IonicContact OE1-CZ 3.15Å; E47-R51 IonicContact OE1-NE 3.18Å; E47-R51 PolarHBondContact OE1-NE 3.26Å; E47-R51 IonicContact OE1-NH2 3.34Å; E47-R51 PolarHBondContact OE1-NH2 3.46Å
48L85.9Confident76.7Confident78 Ų78104.5 Ų104.541%0.40855%0.545SS..Hα-helixtrans-64.6-42170.2-76.2173.5000111.6L43 T44 H50 H52L43-L48 HydrophobicContact CB-CD1 4.49Å; L43-L48 HydrophobicContact CB-CD2 3.93Å; L43-L48 HydrophobicContact CB-CG 3.76Å; L43-L48 HydrophobicContact CD2-CD2 3.82Å; L43-L48 HydrophobicContact CD2-CG 4.47Å; T44-L48 PolarHBondContact O-N 3.45Å; L48-H50 VanDerWaalsContact C-N 3.34Å; L48-H52 WeakPolarHBondContact O-CB 3.29Å; L48-H52 VanDerWaalsContact O-CG 3.29Å; L48-H52 PolarHBondContact O-N 2.93Å; L48-H52 PolarHBondContact O-ND1 3.44Å
49C82.9Confident77.5Confident79 Ų79104.5 Ų104.553%0.53455%0.546SS..Hα-helixtrans-61.9-42173.9-77.50000111.5S45 A46 H52 E53S45-C49 WeakPolarHBondContact O-CB 3.42Å; S45-C49 PolarHBondContact O-N 2.68Å; S45-C49 PolarHBondContact O-SG 3.38Å; A46-C49 CarbonylContact O-C 3.54Å; A46-C49 WeakPolarHBondContact O-CB 3.46Å; A46-C49 PolarHBondContact O-N 2.87Å; C49-H52 CarbonylContact O-C 3.51Å; C49-H52 PolarHBondContact O-N 3.31Å; C49-E53 WeakPolarHBondContact O-CB 3.3Å; C49-E53 PolarHBondContact O-N 3.47Å
50H82.8Confident78.5Confident103 Ų103109.1 Ų109.148%0.47756%0.559SS.*Hα-helixtrans-64.9-43.8177.7-173.257.8000112.2A46 E47 L48 H52 E53 I54A46-H50 WeakPolarHBondContact O-CB 3.44Å; A46-H50 PolarHBondContact O-N 3.5Å; E47-H50 PolarHBondContact O-N 3.03Å; L48-H50 VanDerWaalsContact C-N 3.34Å; H50-H52 PolarHBondContact O-N 3.1Å; H50-E53 WeakPolarHBondContact O-CA 3.32Å; H50-E53 WeakPolarHBondContact O-CB 3.5Å; H50-E53 PolarHBondContact O-N 3.39Å; H50-I54 WeakPolarHBondContact O-CG1 3.4Å; H50-I54 PolarHBondContact O-N 2.93Å
51R89.1Confident79.5Confident118 Ų118106.3 Ų106.345%0.44555%0.549SS..Hα-helixtrans-65-39.4172.4-68.8-175.6-166.3-155.92.8112.7L43 E47 E53 I54 H55L43-R51 VanDerWaalsContact CD2-CZ 3.48Å; E47-R51 WeakPolarHBondContact O-CG 3.37Å; E47-R51 PolarHBondContact O-N 3.36Å; E47-R51 IonicContact OE1-CZ 3.15Å; E47-R51 IonicContact OE1-NE 3.18Å; E47-R51 PolarHBondContact OE1-NE 3.26Å; E47-R51 IonicContact OE1-NH2 3.34Å; E47-R51 PolarHBondContact OE1-NH2 3.46Å; R51-E53 PolarHBondContact O-N 3.3Å; R51-I54 PolarHBondContact O-N 3.45Å; R51-H55 WeakPolarHBondContact O-CB 3.43Å; R51-H55 PolarHBondContact O-CD2 2.9Å; R51-H55 PolarHBondContact O-N 3.39Å
52H84.9Confident80.5Confident125 Ų125102.2 Ų102.258%0.57954%0.539SS*.Hα-helixtrans-63.6-31.7170.8-72.2119.6000111.9L48 C49 H50 H55 K56L48-H52 WeakPolarHBondContact O-CB 3.29Å; L48-H52 VanDerWaalsContact O-CG 3.29Å; L48-H52 PolarHBondContact O-N 2.93Å; L48-H52 PolarHBondContact O-ND1 3.44Å; C49-H52 CarbonylContact O-C 3.51Å; C49-H52 PolarHBondContact O-N 3.31Å; H50-H52 PolarHBondContact O-N 3.1Å; H52-H55 CarbonylContact O-C 3.59Å; H52-K56 VanDerWaalsContact O-CG 3.24Å; H52-K56 WeakPolarHBondContact O-CG 3.47Å; H52-K56 PolarHBondContact O-N 2.99Å
53E84.2Confident80.9Confident113 Ų11397.3 Ų97.353%0.52853%0.525SS..Hα-helixtrans-66.9-52.1174.7-162.8106.2-106.900111.5C49 H50 R51 H55 K56C49-E53 WeakPolarHBondContact O-CB 3.3Å; C49-E53 PolarHBondContact O-N 3.47Å; H50-E53 WeakPolarHBondContact O-CA 3.32Å; H50-E53 WeakPolarHBondContact O-CB 3.5Å; H50-E53 PolarHBondContact O-N 3.39Å; R51-E53 PolarHBondContact O-N 3.3Å; E53-H55 PolarHBondContact O-N 3.47Å; E53-K56 VanDerWaalsContact CD-NZ 3.33Å; E53-K56 WeakPolarHBondContact O-CB 3.5Å; E53-K56 PolarHBondContact O-N 3.11Å; E53-K56 IonicContact OE1-NZ 2.74Å; E53-K56 PolarHBondContact OE1-NZ 3.39Å; E53-K56 IonicContact OE2-NZ 2.72Å
54I80.9Confident81.5Confident108 Ų10899 Ų9955%0.55453%0.531SS*.Hα-helixtrans-57.9-35.4176.3-65.1160.9000111.1H50 R51H50-I54 WeakPolarHBondContact O-CG1 3.4Å; H50-I54 PolarHBondContact O-N 2.93Å; R51-I54 PolarHBondContact O-N 3.45Å
55H80.1Confident81.1Confident153 Ų153102.3 Ų102.371%0.70853%0.533SS*.THydrogen-bonded Turntrans-987.8178.5-58.9-50000114.4R51 H52 E53 S57R51-H55 WeakPolarHBondContact O-CB 3.43Å; R51-H55 PolarHBondContact O-CD2 2.9Å; R51-H55 PolarHBondContact O-N 3.39Å; H52-H55 CarbonylContact O-C 3.59Å; E53-H55 PolarHBondContact O-N 3.47Å; H55-S57 PolarHBondContact O-N 2.84Å
56K80.1Confident81.4Confident106 Ų106102.3 Ų102.346%0.46152%0.523SS..SBendtrans-68.4116166.5-88.8160.7-146.5173.90106.7H52 E53 H58H52-K56 VanDerWaalsContact O-CG 3.24Å; H52-K56 WeakPolarHBondContact O-CG 3.47Å; H52-K56 PolarHBondContact O-N 2.99Å; E53-K56 VanDerWaalsContact CD-NZ 3.33Å; E53-K56 WeakPolarHBondContact O-CB 3.5Å; E53-K56 PolarHBondContact O-N 3.11Å; E53-K56 IonicContact OE1-NZ 2.74Å; E53-K56 PolarHBondContact OE1-NZ 3.39Å; E53-K56 IonicContact OE2-NZ 2.72Å; K56-H58 PolarHBondContact O-N 3.08Å; K56-H58 VanDerWaalsContact O-N 3.15Å
57S75.6Confident81.7Confident76 Ų76105 Ų10553%0.53153%0.527SS..  trans-60.1123.6168.156.20000109.1H55 N59 K60H55-S57 PolarHBondContact O-N 2.84Å; S57-N59 PolarHBondContact O-N 2.86Å; S57-N59 VanDerWaalsContact O-N 3.1Å; S57-K60 WeakPolarHBondContact O-CB 3.49Å; S57-K60 PolarHBondContact O-N 3.33Å
58H67.9Low81.7Confident198 Ų198107.9 Ų107.992%0.91754%0.535SS*.THydrogen-bonded Turntrans-58.2-25.7175.1-150.284.1000111.1K56 K60K56-H58 PolarHBondContact O-N 3.08Å; K56-H58 VanDerWaalsContact O-N 3.15Å; H58-K60 PolarHBondContact O-N 2.85Å; H58-K60 VanDerWaalsContact O-N 3.13Å
59N79.3Confident81.7Confident95 Ų95108.3 Ų108.351%0.50854%0.535SS..THydrogen-bonded Turntrans-70.611.2170-160.2-7.9000114.3S57 A61 A62 A63S57-N59 PolarHBondContact O-N 2.86Å; S57-N59 VanDerWaalsContact O-N 3.1Å; N59-A61 VanDerWaalsContact C-N 3.33Å; N59-A61 PolarHBondContact O-N 3.3Å; N59-A62 PolarHBondContact O-N 3.34Å; N59-A62 WeakPolarHBondContact OD1-CB 3.43Å; N59-A63 WeakPolarHBondContact O-CB 3.41Å; N59-A63 PolarHBondContact O-N 2.84Å; N59-A63 PolarHBondContact OD1-N 3.07Å
60K81.8Confident81.9Confident150 Ų150109.3 Ų109.365%0.65253%0.531SS*.Hα-helixtrans-61-40.4179-177.9177.3178.4-176.40112.7S57 H58 H64S57-K60 WeakPolarHBondContact O-CB 3.49Å; S57-K60 PolarHBondContact O-N 3.33Å; H58-K60 PolarHBondContact O-N 2.85Å; H58-K60 VanDerWaalsContact O-N 3.13Å; K60-H64 WeakPolarHBondContact O-CB 3.34Å; K60-H64 PolarHBondContact O-N 2.9Å
61A77.8Confident81.9Confident65 Ų65106.1 Ų106.154%0.53752%0.522SS..Hα-helixtrans-68.7-49.3178.200000111.3N59 H64 W65N59-A61 VanDerWaalsContact C-N 3.33Å; N59-A61 PolarHBondContact O-N 3.3Å; A61-H64 WeakPolarHBondContact O-CB 3.19Å; A61-H64 PolarHBondContact O-N 3Å; A61-W65 PolarHBondContact O-N 3.29Å
62A80.3Confident81.4Confident55 Ų55106 Ų10646%0.45553%0.529SS..Hα-helixtrans-68.2-37.1179.600000112.6N59 H64 W65 E66N59-A62 PolarHBondContact O-N 3.34Å; N59-A62 WeakPolarHBondContact OD1-CB 3.43Å; A62-H64 VanDerWaalsContact C-N 3.33Å; A62-H64 PolarHBondContact O-N 3.41Å; A62-W65 CarbonylContact O-C 3.53Å; A62-W65 WeakPolarHBondContact O-CB 3.37Å; A62-W65 PolarHBondContact O-N 3.45Å; A62-E66 WeakPolarHBondContact O-CB 3.43Å; A62-E66 PolarHBondContact O-N 3.42Å
63A82.7Confident81.2Confident38 Ų38104.6 Ų104.631%0.31452%0.522SS..Hα-helixtrans-62.7-36.3168.900000112.7N59 E66 L67N59-A63 WeakPolarHBondContact O-CB 3.41Å; N59-A63 PolarHBondContact O-N 2.84Å; N59-A63 PolarHBondContact OD1-N 3.07Å; A63-E66 PolarHBondContact O-N 3.09Å; A63-L67 WeakPolarHBondContact O-CB 3.48Å; A63-L67 PolarHBondContact O-N 3.5Å
64H82.8Confident80.9Confident101 Ų101106.2 Ų106.247%0.46852%0.523SS..Hα-helixtrans-69.5-35.1173.6-167.3-55.7000111.9K60 A61 A62 R68K60-H64 WeakPolarHBondContact O-CB 3.34Å; K60-H64 PolarHBondContact O-N 2.9Å; A61-H64 WeakPolarHBondContact O-CB 3.19Å; A61-H64 PolarHBondContact O-N 3Å; A62-H64 VanDerWaalsContact C-N 3.33Å; A62-H64 PolarHBondContact O-N 3.41Å; H64-R68 PolarHBondContact CE1-NE 3.35Å; H64-R68 VanDerWaalsContact CE1-NE 3.33Å; H64-R68 PolarHBondContact ND1-NE 2.91Å; H64-R68 WeakPolarHBondContact O-CG 3.44Å; H64-R68 PolarHBondContact O-N 3.14Å
65W74.5Confident80.5Confident166 Ų166110.5 Ų110.563%0.62953%0.532SS*.Hα-helixtrans-66.4-46.1171.2-78.5119.1000111.8A61 A62 L67 R68 E69A61-W65 PolarHBondContact O-N 3.29Å; A62-W65 CarbonylContact O-C 3.53Å; A62-W65 WeakPolarHBondContact O-CB 3.37Å; A62-W65 PolarHBondContact O-N 3.45Å; W65-L67 VanDerWaalsContact C-N 3.32Å; W65-L67 PolarHBondContact O-N 3.47Å; W65-R68 WeakPolarHBondContact O-CB 3.48Å; W65-R68 PolarHBondContact O-N 3.1Å; W65-E69 VanDerWaalsContact O-CB 3.31Å; W65-E69 WeakPolarHBondContact O-CB 3.49Å; W65-E69 PolarHBondContact O-N 3.08Å
66E88.6Confident79.8Confident93 Ų93109.2 Ų109.244%0.43553%0.53SS..Hα-helixtrans-60.7-39175.2-167.5-166.4-174.500111.6A62 A63 E69 K70A62-E66 WeakPolarHBondContact O-CB 3.43Å; A62-E66 PolarHBondContact O-N 3.42Å; A63-E66 PolarHBondContact O-N 3.09Å; E66-E69 PolarHBondContact O-N 2.88Å; E66-K70 HydrophobicContact CG-CD 4.17Å; E66-K70 VanDerWaalsContact O-CB 3.28Å; E66-K70 WeakPolarHBondContact O-CB 3.32Å; E66-K70 VanDerWaalsContact O-CG 3.28Å; E66-K70 WeakPolarHBondContact O-CG 3.45Å; E66-K70 PolarHBondContact O-N 2.88Å; E66-K70 WeakPolarHBondContact OE1-CE 2.82Å; E66-K70 IonicContact OE1-NZ 3.5Å; E66-K70 PolarHBondContact OE1-NZ 2.91Å; E66-K70 IonicContact OE2-NZ 3.32Å
67L88.9Confident79.3Confident122 Ų122114.2 Ų114.264%0.63955%0.546SS*.Hα-helixtrans-68.7-38.3176.4-148.679.2000112.1A63 W65 A71A63-L67 WeakPolarHBondContact O-CB 3.48Å; A63-L67 PolarHBondContact O-N 3.5Å; W65-L67 VanDerWaalsContact C-N 3.32Å; W65-L67 PolarHBondContact O-N 3.47Å; L67-A71 VanDerWaalsContact O-CB 3.31Å; L67-A71 WeakPolarHBondContact O-CB 3.42Å; L67-A71 PolarHBondContact O-N 2.87Å
68R83.4Confident78.4Confident123 Ų123118.1 Ų118.146%0.46456%0.555SS.*Hα-helixtrans-63.1-46.3170.7-79.1176.8174.6153.22.8110.8H64 W65 A71 L72H64-R68 PolarHBondContact CE1-NE 3.35Å; H64-R68 VanDerWaalsContact CE1-NE 3.33Å; H64-R68 PolarHBondContact ND1-NE 2.91Å; H64-R68 WeakPolarHBondContact O-CG 3.44Å; H64-R68 PolarHBondContact O-N 3.14Å; W65-R68 WeakPolarHBondContact O-CB 3.48Å; W65-R68 PolarHBondContact O-N 3.1Å; R68-A71 CarbonylContact O-C 3.57Å; R68-A71 WeakPolarHBondContact O-CA 3.45Å; R68-A71 WeakPolarHBondContact O-CB 3.43Å; R68-A71 PolarHBondContact O-N 2.95Å; R68-A71 VanDerWaalsContact O-N 3.13Å; R68-L72 WeakPolarHBondContact O-CG 3.45Å; R68-L72 PolarHBondContact O-N 3.36Å
69E86.6Confident77.6Confident88 Ų88111.2 Ų111.241%0.41153%0.533SS..Hα-helixtrans-65.9-44.2-178.8-162.9-135.3-157.900111.4W65 E66 A71 L72 K73W65-E69 VanDerWaalsContact O-CB 3.31Å; W65-E69 WeakPolarHBondContact O-CB 3.49Å; W65-E69 PolarHBondContact O-N 3.08Å; E66-E69 PolarHBondContact O-N 2.88Å; E69-A71 VanDerWaalsContact C-N 3.29Å; E69-A71 PolarHBondContact O-N 3.34Å; E69-L72 CarbonylContact O-C 3.58Å; E69-L72 PolarHBondContact O-N 3.44Å; E69-K73 HydrophobicContact CG-CD 4.39Å; E69-K73 WeakPolarHBondContact O-CB 3.35Å; E69-K73 WeakPolarHBondContact O-CG 3.42Å; E69-K73 PolarHBondContact O-N 2.89Å; E69-K73 WeakPolarHBondContact OE1-CE 3.48Å; E69-K73 IonicContact OE1-NZ 3.89Å; E69-K73 PolarHBondContact OE1-NZ 3.38Å; E69-K73 VanDerWaalsContact OE2-CE 3.31Å; E69-K73 WeakPolarHBondContact OE2-CE 3.35Å; E69-K73 IonicContact OE2-NZ 2.76Å; E69-K73 PolarHBondContact OE2-NZ 3.44Å
70K87.6Confident76.5Confident100 Ų100110.4 Ų110.444%0.43555%0.546SS..Hα-helixtrans-62.8-31.2170.3-73.7174.8-178.6170.70112.6E66 R74E66-K70 HydrophobicContact CG-CD 4.17Å; E66-K70 VanDerWaalsContact O-CB 3.28Å; E66-K70 WeakPolarHBondContact O-CB 3.32Å; E66-K70 VanDerWaalsContact O-CG 3.28Å; E66-K70 WeakPolarHBondContact O-CG 3.45Å; E66-K70 PolarHBondContact O-N 2.88Å; E66-K70 WeakPolarHBondContact OE1-CE 2.82Å; E66-K70 IonicContact OE1-NZ 3.5Å; E66-K70 PolarHBondContact OE1-NZ 2.91Å; E66-K70 IonicContact OE2-NZ 3.32Å; K70-R74 WeakPolarHBondContact O-CB 3.46Å; K70-R74 VanDerWaalsContact O-CG 3.31Å; K70-R74 WeakPolarHBondContact O-CG 3.19Å; K70-R74 PolarHBondContact O-N 3.44Å; K70-R74 PolarHBondContact O-NE 3.15Å
71A83.7Confident75.2Confident35 Ų35106.7 Ų106.729%0.28955%0.551SS.*Hα-helixtrans-71.9-39172.600000112.3L67 R68 E69 R74 R75L67-A71 VanDerWaalsContact O-CB 3.31Å; L67-A71 WeakPolarHBondContact O-CB 3.42Å; L67-A71 PolarHBondContact O-N 2.87Å; R68-A71 CarbonylContact O-C 3.57Å; R68-A71 WeakPolarHBondContact O-CA 3.45Å; R68-A71 WeakPolarHBondContact O-CB 3.43Å; R68-A71 PolarHBondContact O-N 2.95Å; R68-A71 VanDerWaalsContact O-N 3.13Å; E69-A71 VanDerWaalsContact C-N 3.29Å; E69-A71 PolarHBondContact O-N 3.34Å; A71-R74 PolarHBondContact O-N 3.35Å; A71-R75 PolarHBondContact O-N 2.9Å
72L78.3Confident73.6Confident115 Ų115108.5 Ų108.560%0.60256%0.559SS**Hα-helixtrans-67.1-45.5173.1-71.1171.1000111.7R68 E69 R74 R75 L76R68-L72 WeakPolarHBondContact O-CG 3.45Å; R68-L72 PolarHBondContact O-N 3.36Å; E69-L72 CarbonylContact O-C 3.58Å; E69-L72 PolarHBondContact O-N 3.44Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 3.42Å; L72-R75 CarbonylContact O-C 3.46Å; L72-R75 WeakPolarHBondContact O-CA 3.35Å; L72-R75 WeakPolarHBondContact O-CB 3.46Å; L72-R75 PolarHBondContact O-N 2.88Å; L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 PolarHBondContact O-N 3.47Å
73K79.3Confident72.3Confident97 Ų97112 Ų11242%0.42258%0.577SS.*Hα-helixtrans-59.2-38.4173.9-74.7172.7175.3169.50111.9E69 R77E69-K73 HydrophobicContact CG-CD 4.39Å; E69-K73 WeakPolarHBondContact O-CB 3.35Å; E69-K73 WeakPolarHBondContact O-CG 3.42Å; E69-K73 PolarHBondContact O-N 2.89Å; E69-K73 WeakPolarHBondContact OE1-CE 3.48Å; E69-K73 IonicContact OE1-NZ 3.89Å; E69-K73 PolarHBondContact OE1-NZ 3.38Å; E69-K73 VanDerWaalsContact OE2-CE 3.31Å; E69-K73 WeakPolarHBondContact OE2-CE 3.35Å; E69-K73 IonicContact OE2-NZ 2.76Å; E69-K73 PolarHBondContact OE2-NZ 3.44Å; K73-R77 WeakPolarHBondContact O-CB 3.37Å; K73-R77 VanDerWaalsContact O-CG 3.26Å; K73-R77 WeakPolarHBondContact O-CG 3.45Å; K73-R77 PolarHBondContact O-N 3Å
74R78.4Confident71Confident147 Ų147113.8 Ų113.856%0.55560%0.6SS**Hα-helixtrans-67.7-43.2170.6-77.1-177.8-62.2136.7-3.3112.3K70 A71 L72 L76 R77 H78K70-R74 WeakPolarHBondContact O-CB 3.46Å; K70-R74 VanDerWaalsContact O-CG 3.31Å; K70-R74 WeakPolarHBondContact O-CG 3.19Å; K70-R74 PolarHBondContact O-N 3.44Å; K70-R74 PolarHBondContact O-NE 3.15Å; A71-R74 PolarHBondContact O-N 3.35Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 3.42Å; R74-L76 VanDerWaalsContact C-N 3.31Å; R74-L76 PolarHBondContact O-N 3.43Å; R74-R77 PolarHBondContact O-N 3.18Å; R74-H78 WeakPolarHBondContact O-CB 3.39Å; R74-H78 PolarHBondContact O-CD2 3.37Å; R74-H78 PolarHBondContact O-N 3.22Å
75R71.9Confident70Confident198 Ų198114.1 Ų114.175%0.74761%0.605SS**Hα-helixtrans-58.8-41.3173.6-83-178.4162.1-122.4-2.9112A71 L72 H78 A79A71-R75 PolarHBondContact O-N 2.9Å; L72-R75 CarbonylContact O-C 3.46Å; L72-R75 WeakPolarHBondContact O-CA 3.35Å; L72-R75 WeakPolarHBondContact O-CB 3.46Å; L72-R75 PolarHBondContact O-N 2.88Å; R75-H78 CarbonylContact O-C 3.53Å; R75-H78 PolarHBondContact O-N 3.24Å; R75-A79 WeakPolarHBondContact O-CB 3.15Å; R75-A79 PolarHBondContact O-N 2.69Å
76L65.5Low70.1Confident125 Ų125111.8 Ų111.865%0.65461%0.605SS**Hα-helixtrans-67.4-42.5177.5-173.763.1000112L72 R74 H78 A79L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 PolarHBondContact O-N 3.47Å; R74-L76 VanDerWaalsContact C-N 3.31Å; R74-L76 PolarHBondContact O-N 3.43Å; L76-H78 VanDerWaalsContact C-N 3.32Å; L76-H78 PolarHBondContact O-N 3.45Å; L76-A79 PolarHBondContact O-N 2.75Å
77R70.3Confident69.4Low211 Ų211115.1 Ų115.180%0.79662%0.62SS**Hα-helixtrans-69.6-25.4175.3-70.2174.4-170.5-89.63.7113.8K73 R74K73-R77 WeakPolarHBondContact O-CB 3.37Å; K73-R77 VanDerWaalsContact O-CG 3.26Å; K73-R77 WeakPolarHBondContact O-CG 3.45Å; K73-R77 PolarHBondContact O-N 3Å; R74-R77 PolarHBondContact O-N 3.18Å
78H56.9Low68.7Low159 Ų159113.8 Ų113.874%0.73662%0.617SS**Hα-helixtrans-95.4-10.6174.3-64.4-51.9000113.6R74 R75 L76 G80R74-H78 WeakPolarHBondContact O-CB 3.39Å; R74-H78 PolarHBondContact O-CD2 3.37Å; R74-H78 PolarHBondContact O-N 3.22Å; R75-H78 CarbonylContact O-C 3.53Å; R75-H78 PolarHBondContact O-N 3.24Å; L76-H78 VanDerWaalsContact C-N 3.32Å; L76-H78 PolarHBondContact O-N 3.45Å; H78-G80 PolarHBondContact O-N 3.34Å
79A50.2Low68.2Low53 Ų53109.8 Ų109.844%0.43861%0.608SS.*  trans-82.553.4170.700000110.7R75 L76 G81R75-A79 WeakPolarHBondContact O-CB 3.15Å; R75-A79 PolarHBondContact O-N 2.69Å; L76-A79 PolarHBondContact O-N 2.75Å; A79-G81 VanDerWaalsContact C-N 3.33Å; A79-G81 PolarHBondContact O-N 2.61Å
80G56.2Low67.9Low77 Ų77109.3 Ų109.379%0.79461%0.608SS**SBendtrans-65.896.9159.900000108.3H78H78-G80 PolarHBondContact O-N 3.34Å
81G54.8Low67.4Low73 Ų73106.7 Ų106.775%0.75360%0.602SS**  trans85.179.8179.100000114.7A79A79-G81 VanDerWaalsContact C-N 3.33Å; A79-G81 PolarHBondContact O-N 2.61Å
82S44.9Very low67.2Low102 Ų102110 Ų11071%0.71361%0.614SS**  trans-117.6106.8152.1-173.60000107.9
83P53.4Low67.3Low128 Ų128108.1 Ų108.183%0.83160%0.604SS**  trans-75.2131178.830.9-32.5000109.7
84G55.3Low67.2Low77 Ų77112.1 Ų112.179%0.79462%0.616SS**SBendtrans141.8-0175.300000117
85L61.1Low67.2Low107 Ų107109 Ų10956%0.5661%0.611SS**SBendtrans-122115.6163.2-94.8161.9000107.9L90L85-L90 HydrophobicContact CB-CD1 4.26Å; L85-L90 HydrophobicContact CB-CD2 4.25Å; L85-L90 HydrophobicContact CB-CG 4.13Å; L85-L90 HydrophobicContact CD1-CD2 4.29Å
86D77.1Confident67.5Low118 Ų118103.6 Ų103.663%0.63160%0.599SS**  trans-58139.9-178.1-61.7-43.4000110.3T88 S89 L90D86-T88 WeakPolarHBondContact CB-OG1 3.19Å; D86-T88 PolarHBondContact O-N 3.46Å; D86-T88 VanDerWaalsContact O-N 3.1Å; D86-S89 WeakPolarHBondContact O-CA 3.28Å; D86-S89 WeakPolarHBondContact O-CB 3.39Å; D86-S89 PolarHBondContact O-N 3.44Å; D86-L90 PolarHBondContact O-N 2.85Å
87H74Confident67.5Low163 Ų163104.1 Ų104.176%0.75560%0.596SS**Hα-helixtrans-56.2-30.5179-174.7-75.6000111.6S91H87-S91 WeakPolarHBondContact O-CB 3.32Å; H87-S91 PolarHBondContact O-N 2.88Å
88T73.4Confident67.4Low93 Ų9397.8 Ų97.857%0.57158%0.584SS**Hα-helixtrans-63.2-47.9171.550.10000112.2D86 L90 S91 I92D86-T88 WeakPolarHBondContact CB-OG1 3.19Å; D86-T88 PolarHBondContact O-N 3.46Å; D86-T88 VanDerWaalsContact O-N 3.1Å; T88-L90 VanDerWaalsContact C-N 3.34Å; T88-L90 PolarHBondContact O-N 3.32Å; T88-S91 PolarHBondContact O-N 3.2Å; T88-I92 VanDerWaalsContact O-CG1 3.28Å; T88-I92 WeakPolarHBondContact O-CG1 3.32Å; T88-I92 PolarHBondContact O-N 3Å
89S74.1Confident67.9Low40 Ų4096.1 Ų96.128%0.2858%0.577SS.*Hα-helixtrans-60.4-43.2175.1-179.30000111.5D86 S91 I92 I93D86-S89 WeakPolarHBondContact O-CA 3.28Å; D86-S89 WeakPolarHBondContact O-CB 3.39Å; D86-S89 PolarHBondContact O-N 3.44Å; S89-S91 VanDerWaalsContact C-N 3.33Å; S89-S91 PolarHBondContact O-N 3Å; S89-I92 PolarHBondContact O-N 3.36Å; S89-I93 VanDerWaalsContact O-CB 3.31Å; S89-I93 WeakPolarHBondContact O-CB 3.45Å; S89-I93 WeakPolarHBondContact O-CD1 3.34Å; S89-I93 WeakPolarHBondContact O-CG1 3.41Å; S89-I93 PolarHBondContact O-N 3.46Å
90L79.6Confident68.7Low77 Ų7798 Ų9840%0.40358%0.577SS.*Hα-helixtrans-68.4-29.2176.2-67.2175.5000113.4L85 D86 T88 R94L85-L90 HydrophobicContact CB-CD1 4.26Å; L85-L90 HydrophobicContact CB-CD2 4.25Å; L85-L90 HydrophobicContact CB-CG 4.13Å; L85-L90 HydrophobicContact CD1-CD2 4.29Å; D86-L90 PolarHBondContact O-N 2.85Å; T88-L90 VanDerWaalsContact C-N 3.34Å; T88-L90 PolarHBondContact O-N 3.32Å; L90-R94 WeakPolarHBondContact O-CB 3.48Å; L90-R94 PolarHBondContact O-N 3.4Å
91S76.8Confident69.3Low46 Ų4697.8 Ų97.832%0.32256%0.561SS.*Hα-helixtrans-71.8-50.4171.9-156.60000111H87 T88 S89 I93 R94 D95H87-S91 WeakPolarHBondContact O-CB 3.32Å; H87-S91 PolarHBondContact O-N 2.88Å; T88-S91 PolarHBondContact O-N 3.2Å; S89-S91 VanDerWaalsContact C-N 3.33Å; S89-S91 PolarHBondContact O-N 3Å; S91-I93 VanDerWaalsContact C-N 3.28Å; S91-I93 PolarHBondContact O-N 2.95Å; S91-R94 CarbonylContact O-C 3.58Å; S91-R94 WeakPolarHBondContact O-CA 3.38Å; S91-R94 VanDerWaalsContact O-CB 3.3Å; S91-R94 WeakPolarHBondContact O-CB 3.49Å; S91-R94 PolarHBondContact O-N 3.49Å; S91-D95 PolarHBondContact O-N 2.85Å; S91-D95 VanDerWaalsContact O-OD2 3.1Å; S91-D95 PolarHBondContact OG-OD2 3Å
92I80.3Confident70.5Confident105 Ų105100.4 Ų100.454%0.53856%0.557SS.*Hα-helixtrans-56.8-43.6176.8-66.5161.4000110.7T88 S89 R94 D95 V96T88-I92 VanDerWaalsContact O-CG1 3.28Å; T88-I92 WeakPolarHBondContact O-CG1 3.32Å; T88-I92 PolarHBondContact O-N 3Å; S89-I92 PolarHBondContact O-N 3.36Å; I92-R94 PolarHBondContact O-N 3.24Å; I92-D95 PolarHBondContact O-N 3.45Å; I92-V96 HydrophobicContact CG2-CG2 4.25Å; I92-V96 WeakPolarHBondContact O-CB 3.26Å; I92-V96 VanDerWaalsContact O-CG2 3.24Å; I92-V96 WeakPolarHBondContact O-CG2 3.42Å; I92-V96 PolarHBondContact O-N 2.83Å
93I80.1Confident72.4Confident75 Ų75100.5 Ų100.539%0.38555%0.55SS..Hα-helixtrans-60.3-45173.5-72.4166.6000110.4S89 S91 F97S89-I93 VanDerWaalsContact O-CB 3.31Å; S89-I93 WeakPolarHBondContact O-CB 3.45Å; S89-I93 WeakPolarHBondContact O-CD1 3.34Å; S89-I93 WeakPolarHBondContact O-CG1 3.41Å; S89-I93 PolarHBondContact O-N 3.46Å; S91-I93 VanDerWaalsContact C-N 3.28Å; S91-I93 PolarHBondContact O-N 2.95Å; I93-F97 HydrophobicContact CG2-CD2 3.77Å; I93-F97 HydrophobicContact CG2-CE2 4.04Å; I93-F97 WeakPolarHBondContact O-CB 3.29Å; I93-F97 WeakPolarHBondContact O-CD2 3.33Å; I93-F97 PolarHBondContact O-N 3.22Å
94R77.9Confident73.9Confident181 Ų18199.6 Ų99.668%0.68353%0.534SS*.Hα-helixtrans-61.3-44.9175.8-92.5-178.2165.3-174.3-3.7112.6L90 S91 I92 S98L90-R94 WeakPolarHBondContact O-CB 3.48Å; L90-R94 PolarHBondContact O-N 3.4Å; S91-R94 CarbonylContact O-C 3.58Å; S91-R94 WeakPolarHBondContact O-CA 3.38Å; S91-R94 VanDerWaalsContact O-CB 3.3Å; S91-R94 WeakPolarHBondContact O-CB 3.49Å; S91-R94 PolarHBondContact O-N 3.49Å; I92-R94 PolarHBondContact O-N 3.24Å; R94-S98 WeakPolarHBondContact O-CB 3.41Å; R94-S98 PolarHBondContact O-N 3.43Å; R94-S98 PolarHBondContact O-OG 3.19Å
95D77.3Confident75.5Confident82 Ų82101 Ų10144%0.43952%0.523SS..Hα-helixtrans-68.1-50.8-175.1-59.1-29.9000109.4S91 I92 F97 S98 E99S91-D95 PolarHBondContact O-N 2.85Å; S91-D95 VanDerWaalsContact O-OD2 3.1Å; S91-D95 PolarHBondContact OG-OD2 3Å; I92-D95 PolarHBondContact O-N 3.45Å; D95-F97 PolarHBondContact O-N 3.36Å; D95-S98 CarbonylContact O-C 3.59Å; D95-S98 WeakPolarHBondContact O-CA 3.25Å; D95-S98 PolarHBondContact O-N 2.81Å; D95-E99 WeakPolarHBondContact O-CG 3.36Å; D95-E99 PolarHBondContact O-N 2.81Å
96V77.9Confident76.8Confident84 Ų8498.3 Ų98.351%0.50952%0.516SS..Hα-helixtrans-58.2-41.9176.1172.90000112.8I92 Q100I92-V96 HydrophobicContact CG2-CG2 4.25Å; I92-V96 WeakPolarHBondContact O-CB 3.26Å; I92-V96 VanDerWaalsContact O-CG2 3.24Å; I92-V96 WeakPolarHBondContact O-CG2 3.42Å; I92-V96 PolarHBondContact O-N 2.83Å; V96-Q100 PolarHBondContact O-N 2.84Å
97F66.1Low77.5Confident135 Ų13596.4 Ų96.459%0.59251%0.506SS*.Hα-helixtrans-79-15.1175.9-76.5-67.7000113.9I93 D95 P101I93-F97 HydrophobicContact CG2-CD2 3.77Å; I93-F97 HydrophobicContact CG2-CE2 4.04Å; I93-F97 WeakPolarHBondContact O-CB 3.29Å; I93-F97 WeakPolarHBondContact O-CD2 3.33Å; I93-F97 PolarHBondContact O-N 3.22Å; D95-F97 PolarHBondContact O-N 3.36Å; F97-P101 WeakPolarHBondContact O-CD 3.27Å
98S68.7Low78.2Confident78 Ų7890 Ų9055%0.54548%0.481SS..Hα-helixtrans-88-23.1172.5-57.80000112.4R94 D95 P101R94-S98 WeakPolarHBondContact O-CB 3.41Å; R94-S98 PolarHBondContact O-N 3.43Å; R94-S98 PolarHBondContact O-OG 3.19Å; D95-S98 CarbonylContact O-C 3.59Å; D95-S98 WeakPolarHBondContact O-CA 3.25Å; D95-S98 PolarHBondContact O-N 2.81Å; S98-P101 VanDerWaalsContact O-CD 3.3Å; S98-P101 WeakPolarHBondContact O-CD 3.33Å; S98-P101 VanDerWaalsContact O-CG 3.28Å; S98-P101 WeakPolarHBondContact O-CG 3.46Å
99E66.6Low79Confident125 Ų12591.8 Ų91.858%0.58448%0.483SS*.Hα-helixtrans-73.8-27.1168.8-73.8176.7-173.100112.3D95 L102 L103D95-E99 WeakPolarHBondContact O-CG 3.36Å; D95-E99 PolarHBondContact O-N 2.81Å; E99-L102 CarbonylContact O-C 3.57Å; E99-L102 WeakPolarHBondContact O-CA 3.49Å; E99-L102 WeakPolarHBondContact O-CB 3.43Å; E99-L102 PolarHBondContact O-N 3.42Å; E99-L102 VanDerWaalsContact O-N 3.07Å; E99-L103 WeakPolarHBondContact O-CB 3.33Å; E99-L103 PolarHBondContact O-N 3.15Å
100Q68.1Low79.9Confident92 Ų9292 Ų9243%0.4349%0.485SS..Hα-helixtrans-56.6-46.6178.9-167.3170.716.500114.9V96 L102 L103 H104V96-Q100 PolarHBondContact O-N 2.84Å; Q100-L102 VanDerWaalsContact C-N 3.34Å; Q100-L103 PolarHBondContact O-N 3.03Å; Q100-H104 PolarHBondContact O-CD2 3.42Å; Q100-H104 PolarHBondContact O-N 2.81Å
101P68.4Low80.4Confident73 Ų7393.3 Ų93.347%0.47449%0.492SS..Hα-helixtrans-66-34.9172.125.8-35000112.6F97 S98 L103 H104 D105F97-P101 WeakPolarHBondContact O-CD 3.27Å; S98-P101 VanDerWaalsContact O-CD 3.3Å; S98-P101 WeakPolarHBondContact O-CD 3.33Å; S98-P101 VanDerWaalsContact O-CG 3.28Å; S98-P101 WeakPolarHBondContact O-CG 3.46Å; P101-L103 VanDerWaalsContact C-N 3.33Å; P101-L103 PolarHBondContact O-N 2.98Å; P101-H104 PolarHBondContact O-N 3.46Å; P101-D105 PolarHBondContact O-N 2.81Å
102L80.1Confident81Confident127 Ų12798.1 Ų98.167%0.66550%0.503SS*.Hα-helixtrans-64.4-38.9177-154.897.9000111.5E99 Q100 D105 A106E99-L102 CarbonylContact O-C 3.57Å; E99-L102 WeakPolarHBondContact O-CA 3.49Å; E99-L102 WeakPolarHBondContact O-CB 3.43Å; E99-L102 PolarHBondContact O-N 3.42Å; E99-L102 VanDerWaalsContact O-N 3.07Å; Q100-L102 VanDerWaalsContact C-N 3.34Å; L102-D105 PolarHBondContact O-N 2.78Å; L102-A106 VanDerWaalsContact O-CB 3.32Å; L102-A106 WeakPolarHBondContact O-CB 3.41Å; L102-A106 PolarHBondContact O-N 3.04Å
103L83.9Confident81.3Confident105 Ų10595.6 Ų95.655%0.5550%0.498SS..Hα-helixtrans-65.7-42.1172.7177.863000111.5E99 Q100 P101 A106 L107E99-L103 WeakPolarHBondContact O-CB 3.33Å; E99-L103 PolarHBondContact O-N 3.15Å; Q100-L103 PolarHBondContact O-N 3.03Å; P101-L103 VanDerWaalsContact C-N 3.33Å; P101-L103 PolarHBondContact O-N 2.98Å; L103-A106 PolarHBondContact O-N 3.22Å; L103-L107 HydrophobicContact CD1-CD1 4.31Å; L103-L107 HydrophobicContact CD1-CG 4.35Å; L103-L107 HydrophobicContact CG-CD1 4.11Å; L103-L107 WeakPolarHBondContact O-CB 3.43Å; L103-L107 VanDerWaalsContact O-CG 3.26Å; L103-L107 WeakPolarHBondContact O-CG 3.22Å; L103-L107 PolarHBondContact O-N 3.31Å
104H85.6Confident81.4Confident109 Ų10996.8 Ų96.851%0.50550%0.504SS..Hα-helixtrans-65.9-36.2174.6-78.5-60.2000112.7Q100 P101 A108Q100-H104 PolarHBondContact O-CD2 3.42Å; Q100-H104 PolarHBondContact O-N 2.81Å; P101-H104 PolarHBondContact O-N 3.46Å; H104-A108 VanDerWaalsContact O-CB 3.27Å; H104-A108 WeakPolarHBondContact O-CB 3.4Å; H104-A108 PolarHBondContact O-N 2.75Å
105D89.1Confident81.6Confident106 Ų10691 Ų9157%0.56750%0.495SS*.Hα-helixtrans-69.8-38.3174.1-78.8-25000112P101 L102 A108 Q109P101-D105 PolarHBondContact O-N 2.81Å; L102-D105 PolarHBondContact O-N 2.78Å; D105-A108 PolarHBondContact O-N 3.09Å; D105-Q109 VanDerWaalsContact O-CB 3.32Å; D105-Q109 WeakPolarHBondContact O-CB 3.45Å; D105-Q109 PolarHBondContact O-N 3.05Å
106A88.3Confident81.7Confident50 Ų5091.5 Ų91.541%0.41350%0.501SS..Hα-helixtrans-65.5-41.8173.100000111.9L102 L103 Q109 S110L102-A106 VanDerWaalsContact O-CB 3.32Å; L102-A106 WeakPolarHBondContact O-CB 3.41Å; L102-A106 PolarHBondContact O-N 3.04Å; L103-A106 PolarHBondContact O-N 3.22Å; A106-Q109 CarbonylContact O-C 3.58Å; A106-Q109 WeakPolarHBondContact O-CB 3.19Å; A106-Q109 PolarHBondContact O-N 3.4Å; A106-S110 PolarHBondContact O-N 2.98Å; A106-S110 PolarHBondContact O-OG 3.37Å
107L91.1Very high81.7Confident79 Ų7990.3 Ų90.341%0.41449%0.494SS..Hα-helixtrans-64.8-43.6172.9-74.8168.7000111.4L103 Q109 S110 D111L103-L107 HydrophobicContact CD1-CD1 4.31Å; L103-L107 HydrophobicContact CD1-CG 4.35Å; L103-L107 HydrophobicContact CG-CD1 4.11Å; L103-L107 WeakPolarHBondContact O-CB 3.43Å; L103-L107 VanDerWaalsContact O-CG 3.26Å; L103-L107 WeakPolarHBondContact O-CG 3.22Å; L103-L107 PolarHBondContact O-N 3.31Å; L107-Q109 PolarHBondContact O-N 3.45Å; L107-S110 WeakPolarHBondContact CA-OG 3.24Å; L107-S110 PolarHBondContact O-N 3.48Å; L107-S110 PolarHBondContact O-OG 3.17Å; L107-D111 WeakPolarHBondContact O-CB 3.33Å; L107-D111 VanDerWaalsContact O-CG 3.25Å; L107-D111 PolarHBondContact O-N 2.92Å
108A89.5Confident81.8Confident29 Ų2990.4 Ų90.424%0.2449%0.494CS..Hα-helixtrans-64.7-29.4173.800000112H104 D105 R112H104-A108 VanDerWaalsContact O-CB 3.27Å; H104-A108 WeakPolarHBondContact O-CB 3.4Å; H104-A108 PolarHBondContact O-N 2.75Å; D105-A108 PolarHBondContact O-N 3.09Å; A108-R112 WeakPolarHBondContact O-CB 3.41Å; A108-R112 VanDerWaalsContact O-CG 3.22Å; A108-R112 WeakPolarHBondContact O-CG 3.48Å; A108-R112 PolarHBondContact O-N 3.49Å; A108-R112 PolarHBondContact O-NE 3.33Å
109Q90.3Very high81.8Confident130 Ų13090.4 Ų90.461%0.60749%0.488SS*.Hα-helixtrans-73.1-40.2172.3-175173.7-5.900111.8D105 A106 L107 R112 A113D105-Q109 VanDerWaalsContact O-CB 3.32Å; D105-Q109 WeakPolarHBondContact O-CB 3.45Å; D105-Q109 PolarHBondContact O-N 3.05Å; A106-Q109 CarbonylContact O-C 3.58Å; A106-Q109 WeakPolarHBondContact O-CB 3.19Å; A106-Q109 PolarHBondContact O-N 3.4Å; L107-Q109 PolarHBondContact O-N 3.45Å; Q109-R112 PolarHBondContact O-N 3.43Å; Q109-A113 WeakPolarHBondContact O-CB 3.43Å; Q109-A113 PolarHBondContact O-N 3.5Å
110S91.8Very high82Confident45 Ų4590.9 Ų90.932%0.31549%0.494SS..Hα-helixtrans-65.9-38.9172.260.10000111.7A106 L107 A113 L114A106-S110 PolarHBondContact O-N 2.98Å; A106-S110 PolarHBondContact O-OG 3.37Å; L107-S110 WeakPolarHBondContact CA-OG 3.24Å; L107-S110 PolarHBondContact O-N 3.48Å; L107-S110 PolarHBondContact O-OG 3.17Å; S110-A113 PolarHBondContact O-N 3.33Å; S110-L114 VanDerWaalsContact O-CB 3.24Å; S110-L114 WeakPolarHBondContact O-CB 3.38Å; S110-L114 WeakPolarHBondContact O-CG 3.47Å; S110-L114 PolarHBondContact O-N 3.35Å
111D90.6Very high81.6Confident104 Ų10494.8 Ų94.856%0.55651%0.51SS*.Hα-helixtrans-65.6-42176.8-70.9-13.3000111.5L107 L114 A115L107-D111 WeakPolarHBondContact O-CB 3.33Å; L107-D111 VanDerWaalsContact O-CG 3.25Å; L107-D111 PolarHBondContact O-N 2.92Å; D111-L114 PolarHBondContact O-N 2.89Å; D111-A115 VanDerWaalsContact O-CB 3.26Å; D111-A115 WeakPolarHBondContact O-CB 3.41Å; D111-A115 PolarHBondContact O-N 2.97Å
112R89.4Confident81.3Confident146 Ų14694 Ų9455%0.55151%0.514SS*.Hα-helixtrans-62.2-42.9171.8-75.2-179.2-62.4-101.82.4111.7A108 Q109 A115 V116A108-R112 WeakPolarHBondContact O-CB 3.41Å; A108-R112 VanDerWaalsContact O-CG 3.22Å; A108-R112 WeakPolarHBondContact O-CG 3.48Å; A108-R112 PolarHBondContact O-N 3.49Å; A108-R112 PolarHBondContact O-NE 3.33Å; Q109-R112 PolarHBondContact O-N 3.43Å; R112-A115 PolarHBondContact O-N 3.15Å; R112-V116 WeakPolarHBondContact O-CG2 3.46Å; R112-V116 PolarHBondContact O-N 2.85Å; R112-V116 VanDerWaalsContact O-N 3.12Å
113A86.7Confident80.7Confident52 Ų5294.6 Ų94.643%0.4352%0.519SS..Hα-helixtrans-66.2-45.3177.400000111.7Q109 S110 A115 V116 V117Q109-A113 WeakPolarHBondContact O-CB 3.43Å; Q109-A113 PolarHBondContact O-N 3.5Å; S110-A113 PolarHBondContact O-N 3.33Å; A113-A115 VanDerWaalsContact C-N 3.31Å; A113-A115 PolarHBondContact O-N 3.46Å; A113-V116 PolarHBondContact O-N 2.82Å; A113-V117 WeakPolarHBondContact O-CB 3.25Å; A113-V117 VanDerWaalsContact O-CG2 3.25Å; A113-V117 WeakPolarHBondContact O-CG2 3.46Å; A113-V117 PolarHBondContact O-N 3.44Å
114L82.4Confident78.9Confident100 Ų10092 Ų9252%0.52451%0.512SS..Hα-helixtrans-65.4-32.4176.7-71.9171.5000112S110 D111 V117 K118S110-L114 VanDerWaalsContact O-CB 3.24Å; S110-L114 WeakPolarHBondContact O-CB 3.38Å; S110-L114 WeakPolarHBondContact O-CG 3.47Å; S110-L114 PolarHBondContact O-N 3.35Å; D111-L114 PolarHBondContact O-N 2.89Å; L114-V117 PolarHBondContact O-N 3Å; L114-K118 WeakPolarHBondContact O-CB 3.44Å; L114-K118 VanDerWaalsContact O-CG 3.29Å; L114-K118 WeakPolarHBondContact O-CG 3.27Å; L114-K118 PolarHBondContact O-N 2.89Å
115A81.1Confident77.2Confident59 Ų5993 Ų9349%0.48853%0.528SS..Hα-helixtrans-66.8-43.7171.900000112.1D111 R112 A113 V117 K118 D119D111-A115 VanDerWaalsContact O-CB 3.26Å; D111-A115 WeakPolarHBondContact O-CB 3.41Å; D111-A115 PolarHBondContact O-N 2.97Å; R112-A115 PolarHBondContact O-N 3.15Å; A113-A115 VanDerWaalsContact C-N 3.31Å; A113-A115 PolarHBondContact O-N 3.46Å; A115-V117 VanDerWaalsContact C-N 3.34Å; A115-K118 PolarHBondContact O-N 2.85Å; A115-D119 PolarHBondContact O-N 3.32Å
116V79.4Confident75.6Confident94 Ų9496.5 Ų96.557%0.5753%0.533SS*.Hα-helixtrans-63.5-41.3173.31720000111R112 A113 D119 L120R112-V116 WeakPolarHBondContact O-CG2 3.46Å; R112-V116 PolarHBondContact O-N 2.85Å; R112-V116 VanDerWaalsContact O-N 3.12Å; A113-V116 PolarHBondContact O-N 2.82Å; V116-D119 PolarHBondContact O-N 3.38Å; V116-L120 HydrophobicContact CG1-CD1 4.24Å; V116-L120 WeakPolarHBondContact O-CG 3.5Å; V116-L120 PolarHBondContact O-N 3.43Å
117V79.1Confident74.1Confident59 Ų59104.1 Ų104.136%0.35855%0.551SS.*Hα-helixtrans-66.3-36.9176.4169.60000111.7A113 L114 A115 L120 F121A113-V117 WeakPolarHBondContact O-CB 3.25Å; A113-V117 VanDerWaalsContact O-CG2 3.25Å; A113-V117 WeakPolarHBondContact O-CG2 3.46Å; A113-V117 PolarHBondContact O-N 3.44Å; L114-V117 PolarHBondContact O-N 3Å; A115-V117 VanDerWaalsContact C-N 3.34Å; V117-L120 WeakPolarHBondContact O-CB 3.32Å; V117-L120 PolarHBondContact O-N 2.91Å; V117-F121 HydrophobicContact CG1-CD2 3.6Å; V117-F121 HydrophobicContact CG1-CE2 3.68Å; V117-F121 VanDerWaalsContact O-CD2 3.28Å; V117-F121 WeakPolarHBondContact O-CD2 3.41Å; V117-F121 PolarHBondContact O-N 2.7Å
118K67.8Low72.1Confident136 Ų136108.4 Ų108.459%0.59157%0.569SS**Hα-helixtrans-66-36.5172.8-81.2-176.4172.1-164.50113.2L114 A115 L120 F121 G122L114-K118 WeakPolarHBondContact O-CB 3.44Å; L114-K118 VanDerWaalsContact O-CG 3.29Å; L114-K118 WeakPolarHBondContact O-CG 3.27Å; L114-K118 PolarHBondContact O-N 2.89Å; A115-K118 PolarHBondContact O-N 2.85Å; K118-L120 VanDerWaalsContact C-N 3.3Å; K118-F121 PolarHBondContact O-N 3.45Å; K118-G122 PolarHBondContact O-N 3.02Å
119D68.8Low70.4Confident78 Ų78111.7 Ų111.742%0.41759%0.587SS.*Hα-helixtrans-69.3-29173.3-155.544.9000111.5A115 V116 R126A115-D119 PolarHBondContact O-N 3.32Å; V116-D119 PolarHBondContact O-N 3.38Å; D119-R126 WeakPolarHBondContact OD1-CD 3.36Å
120L70.6Confident68.3Low135 Ų135108.4 Ų108.471%0.70759%0.588SS**Hα-helixtrans-74.5-33.6173.4-72.9166.7000113.9V116 V117 K118V116-L120 HydrophobicContact CG1-CD1 4.24Å; V116-L120 WeakPolarHBondContact O-CG 3.5Å; V116-L120 PolarHBondContact O-N 3.43Å; V117-L120 WeakPolarHBondContact O-CB 3.32Å; V117-L120 PolarHBondContact O-N 2.91Å; K118-L120 VanDerWaalsContact C-N 3.3Å
121F60.1Low66.3Low175 Ų175114.1 Ų114.177%0.76861%0.609SS**THydrogen-bonded Turntrans-89.86.5-179.7-77.3-67.1000114.9V117 K118V117-F121 HydrophobicContact CG1-CD2 3.6Å; V117-F121 HydrophobicContact CG1-CE2 3.68Å; V117-F121 VanDerWaalsContact O-CD2 3.28Å; V117-F121 WeakPolarHBondContact O-CD2 3.41Å; V117-F121 PolarHBondContact O-N 2.7Å; K118-F121 PolarHBondContact O-N 3.45Å
122G62.3Low64.4Low55 Ų55114.5 Ų114.557%0.56762%0.617SS**THydrogen-bonded Turntrans80.723161.800000116.3K118 A124K118-G122 PolarHBondContact O-N 3.02Å; G122-A124 PolarHBondContact O-N 3.33Å; G122-A124 VanDerWaalsContact O-N 3.09Å
123D66.1Low62.5Low141 Ų141113 Ų11375%0.75463%0.629SS**SBendtrans-74.95.7-178.3-13011000113.9
124A46.4Very low60.9Low50 Ų50116.2 Ų116.241%0.41364%0.643SS.*SBendtrans-143141.5161.900000109G122 R126G122-A124 PolarHBondContact O-N 3.33Å; G122-A124 VanDerWaalsContact O-N 3.09Å; A124-R126 HydrophobicContact CB-CG 4.29Å; A124-R126 PolarHBondContact O-N 2.78Å
125P50.8Low59.3Low129 Ų129117.7 Ų117.784%0.83866%0.656SS**  trans-75.559.8171.833.5-35.6000110.3R127P125-R127 VanDerWaalsContact C-N 3.26Å; P125-R127 PolarHBondContact O-N 3.32Å
126R54.8Low58.7Low181 Ų181120.2 Ų120.268%0.68367%0.666SS**  trans-66.493.4165.1-77.7-174.7136.4-113.1-7.6106.9D119 A124 Q128D119-R126 WeakPolarHBondContact OD1-CD 3.36Å; A124-R126 HydrophobicContact CB-CG 4.29Å; A124-R126 PolarHBondContact O-N 2.78Å; R126-Q128 PolarHBondContact O-N 2.9Å
127R57.1Low57.5Low210 Ų210118.9 Ų118.979%0.79266%0.664SS**  trans-62.276.3177.2-58.4174.599.4-96.84.4109.7P125 T129P125-R127 VanDerWaalsContact C-N 3.26Å; P125-R127 PolarHBondContact O-N 3.32Å; R127-T129 VanDerWaalsContact C-N 3.28Å; R127-T129 PolarHBondContact O-N 3.16Å; R127-T129 PolarHBondContact O-OG1 3.36Å
128Q49.8Very low56.1Low169 Ų169121.5 Ų121.579%0.7968%0.682SS**  trans-57.7101.1161.6-69-164.318.500106R126 G130R126-Q128 PolarHBondContact O-N 2.9Å; Q128-G130 PolarHBondContact O-N 3.04Å
129T53.9Low55.1Low98 Ų98122.2 Ų122.260%0.60169%0.693SS**  trans-78.171.5174.4-57.10000106.5R127 H131R127-T129 VanDerWaalsContact C-N 3.28Å; R127-T129 PolarHBondContact O-N 3.16Å; R127-T129 PolarHBondContact O-OG1 3.36Å; T129-H131 PolarHBondContact O-CE1 3.34Å; T129-H131 PolarHBondContact O-N 3.23Å; T129-H131 PolarHBondContact O-ND1 3.12Å
130G46.6Very low54.1Low61 Ų61122.7 Ų122.763%0.62970%0.701SS**  trans-57.7120165.900000107.1Q128 P132Q128-G130 PolarHBondContact O-N 3.04Å; G130-P132 VanDerWaalsContact O-CD 3.26Å; G130-P132 WeakPolarHBondContact O-CD 3.45Å
131H48.6Very low52.9Low164 Ų164123.4 Ų123.476%0.75971%0.706SS**  trans-77.6114.6179-66.346.9000106.8T129 S133T129-H131 PolarHBondContact O-CE1 3.34Å; T129-H131 PolarHBondContact O-N 3.23Å; T129-H131 PolarHBondContact O-ND1 3.12Å; H131-S133 PolarHBondContact O-N 2.81Å
132P50.5Low52.8Low112 Ų112120.1 Ų120.173%0.72771%0.705SS**  trans-75.696.4-178.431-33.2000109G130 V134G130-P132 VanDerWaalsContact O-CD 3.26Å; G130-P132 WeakPolarHBondContact O-CD 3.45Å; P132-V134 HydrophobicContact CB-CG2 4.25Å; P132-V134 PolarHBondContact O-N 3.46Å
133S50.4Low52.1Low115 Ų115125.6 Ų125.680%0.80472%0.721SS**  trans-72.976.8168.557.90000109.6H131 T135H131-S133 PolarHBondContact O-N 2.81Å; S133-T135 PolarHBondContact O-N 3.48Å
134V53.4Low51.3Low120 Ų120124.3 Ų124.373%0.72772%0.723SS**  trans-75105.7174.2-177.40000108.4P132 V136P132-V134 HydrophobicContact CB-CG2 4.25Å; P132-V134 PolarHBondContact O-N 3.46Å; V134-V136 PolarHBondContact O-N 3.44Å
135T48.6Very low51.4Low130 Ų130130.8 Ų130.880%0.79875%0.745SS**PPolyproline II helixtrans-69116.9165.545.70000108.9S133S133-T135 PolarHBondContact O-N 3.48Å
136V67.9Low51.2Low113 Ų113132.1 Ų132.169%0.68574%0.744SS**PPolyproline II helixtrans-65.9137.1173.9-162.90000108.9V134 C140V134-V136 PolarHBondContact O-N 3.44Å; V136-C140 HydrophobicContact CG1-CB 4.01Å
137A54Low50.9Low66 Ų66129.4 Ų129.455%0.54575%0.75SS.*PPolyproline II helixtrans-67.9148172.200000110.2
138P50Low50.3Low113 Ų113125.4 Ų125.473%0.73475%0.748SS**THydrogen-bonded Turntrans-57.9147171.3-19.531.9000110.5
139N45.5Very low50.1Low151 Ų151125.2 Ų125.281%0.80775%0.752SS**THydrogen-bonded Turntrans8020.1175.4-34.8-15.3000116D141N139-D141 PolarHBondContact O-N 2.84Å
140C48.6Very low49.8Very low88 Ų88128.6 Ų128.660%0.59576%0.761SS**  trans-80.487.1163.1-68.50000110.2V136V136-C140 HydrophobicContact CG1-CB 4.01Å
141D45.3Very low49.8Very low150 Ų150136.1 Ų136.180%0.80277%0.77SS**  trans-62.2137.7171.4-64.3-35.7000110.1N139N139-D141 PolarHBondContact O-N 2.84Å
142S59Low49.8Very low107 Ų107134.1 Ų134.175%0.74877%0.772SS**SBendtrans-69.5144.3-175.4-60.50000111.5
143D47.7Very low50.1Low170 Ų170135.5 Ų135.591%0.90977%0.773SS**  trans132.419.7160.8-65.3-10.3000116.1
144S47.9Very low50.8Low113 Ų113135 Ų13579%0.7977%0.767SS**SBendtrans-110.3138.3161.654.90000112.1
145E48.8Very low51.4Low187 Ų187134 Ų13487%0.87476%0.763SS**PPolyproline II helixtrans-53.9133.9-168.4-69.2176.4112.100114.1
146L47.6Very low52.6Low157 Ų157132.5 Ų132.582%0.82275%0.754SS**PPolyproline II helixtrans-57.2139.6163.1-66.6170.6000109.5V148L146-V148 PolarHBondContact O-N 2.73Å; L146-V148 VanDerWaalsContact O-N 3.11Å
147P48Very low52.2Low124 Ų124135 Ų13581%0.80576%0.758SS**PPolyproline II helixtrans-58.4123174.124.5-32.9000109.4L149P147-L149 PolarHBondContact O-N 2.94Å
148V43.8Very low52.5Low126 Ų126138.2 Ų138.276%0.76477%0.766SS**PPolyproline II helixtrans-53.7122.7-172.9173.90000110.3L146 Q150L146-V148 PolarHBondContact O-N 2.73Å; L146-V148 VanDerWaalsContact O-N 3.11Å; V148-Q150 VanDerWaalsContact C-N 3.29Å; V148-Q150 PolarHBondContact O-N 3.17Å
149L45.4Very low53.2Low165 Ų165134.8 Ų134.886%0.86474%0.744SS**  trans-58.194.2164-109.1162.4000108.3P147 R151P147-L149 PolarHBondContact O-N 2.94Å; L149-R151 PolarHBondContact O-N 3.34Å
150Q47.5Very low53.9Low169 Ų169133 Ų13379%0.7973%0.734SS**  trans-61.8102.7177.2-171.5175.612.700108V148V148-Q150 VanDerWaalsContact C-N 3.29Å; V148-Q150 PolarHBondContact O-N 3.17Å
151R48Very low54.4Low218 Ų218134.4 Ų134.482%0.82374%0.735SS**PPolyproline II helixtrans-61.3132.3170.2-69.7-178.5177154.11.9107.1L149 D153L149-R151 PolarHBondContact O-N 3.34Å; R151-D153 PolarHBondContact O-N 2.89Å
152P48.4Very low55.1Low123 Ų123130.7 Ų130.780%0.79972%0.721SS**PPolyproline II helixtrans-60132.5168.925.7-32.3000108.6
153D55.8Low55Low141 Ų141132.9 Ų132.975%0.75472%0.719SS**PPolyproline II helixtrans-59145.9179.7-76.8-49.8000111.1R151R151-D153 PolarHBondContact O-N 2.89Å
154P66Low55.3Low104 Ų104129.3 Ų129.368%0.67571%0.708SS**PPolyproline II helixtrans-60.4136.1176.726-33.8000110T156P154-T156 PolarHBondContact O-N 3.31Å; P154-T156 VanDerWaalsContact O-N 3.08Å
155P65.2Low55.8Low100 Ų100130.8 Ų130.865%0.64971%0.705SS**PPolyproline II helixtrans-62116.5-171.823.7-33.7000111.1
156T74.8Confident56Low98 Ų98128.6 Ų128.660%0.60170%0.696SS**PPolyproline II helixtrans-70.6157.3172.646.30000110.6P154 L158 S159 L160P154-T156 PolarHBondContact O-N 3.31Å; P154-T156 VanDerWaalsContact O-N 3.08Å; T156-L158 PolarHBondContact O-N 3.48Å; T156-L158 VanDerWaalsContact O-N 3.08Å; T156-S159 WeakPolarHBondContact O-CA 3.32Å; T156-S159 WeakPolarHBondContact O-CB 3.47Å; T156-S159 PolarHBondContact O-N 2.9Å; T156-L160 PolarHBondContact O-N 2.93Å
157Q58.6Low56.2Low165 Ų165128 Ų12877%0.77169%0.694SS**Hα-helixtrans-57.1-29.5-175.1-68.5179-16.700113.5S159 L160 L161Q157-S159 VanDerWaalsContact C-N 3.31Å; Q157-S159 PolarHBondContact O-N 2.92Å; Q157-L160 PolarHBondContact O-N 3.44Å; Q157-L161 WeakPolarHBondContact O-CG 3.39Å; Q157-L161 PolarHBondContact O-N 3.26Å; Q157-L161 VanDerWaalsContact O-N 3.11Å
158L61.2Low56.6Low134 Ų134128.1 Ų128.170%0.70268%0.684SS**Hα-helixtrans-66.5-30.1174-61.8176.3000113T156 L161 S162T156-L158 PolarHBondContact O-N 3.48Å; T156-L158 VanDerWaalsContact O-N 3.08Å; L158-L161 HydrophobicContact CD2-CD1 4.45Å; L158-L161 PolarHBondContact O-N 3.28Å; L158-S162 WeakPolarHBondContact O-CB 3.23Å; L158-S162 PolarHBondContact O-N 3.18Å; L158-S162 PolarHBondContact O-OG 2.96Å
159S63.5Low57.2Low40 Ų40130.6 Ų130.628%0.2869%0.687SS.*Hα-helixtrans-73.2-36.6177.5-167.60000112.1T156 Q157 S162 Q163T156-S159 WeakPolarHBondContact O-CA 3.32Å; T156-S159 WeakPolarHBondContact O-CB 3.47Å; T156-S159 PolarHBondContact O-N 2.9Å; Q157-S159 VanDerWaalsContact C-N 3.31Å; Q157-S159 PolarHBondContact O-N 2.92Å; S159-S162 WeakPolarHBondContact CA-OG 3.4Å; S159-S162 PolarHBondContact O-N 3.24Å; S159-S162 PolarHBondContact O-OG 2.9Å; S159-Q163 WeakPolarHBondContact O-CG 3.26Å; S159-Q163 PolarHBondContact O-N 3.04Å; S159-Q163 VanDerWaalsContact O-N 3.15Å
160L61.4Low57.6Low113 Ų113126.9 Ų126.959%0.59268%0.68SS**Hα-helixtrans-63.9-43169.8-86.5161.2000111.5T156 Q157 Q163 S164T156-L160 PolarHBondContact O-N 2.93Å; Q157-L160 PolarHBondContact O-N 3.44Å; L160-Q163 PolarHBondContact O-N 3.34Å; L160-S164 WeakPolarHBondContact O-CB 3.25Å; L160-S164 PolarHBondContact O-N 3.46Å
161L58.1Low57.5Low118 Ų118125.7 Ų125.762%0.61868%0.679SS**Hα-helixtrans-65.1-40.4175.1-70.8167.3000112.1Q157 L158 Q163 S164Q157-L161 WeakPolarHBondContact O-CG 3.39Å; Q157-L161 PolarHBondContact O-N 3.26Å; Q157-L161 VanDerWaalsContact O-N 3.11Å; L158-L161 HydrophobicContact CD2-CD1 4.45Å; L158-L161 PolarHBondContact O-N 3.28Å; L161-Q163 VanDerWaalsContact C-N 3.29Å; L161-Q163 PolarHBondContact O-N 2.85Å; L161-S164 PolarHBondContact O-N 3.49Å
162S60.4Low57.5Low73 Ų73122.2 Ų122.251%0.5168%0.676SS.*Hα-helixtrans-68.8-24178.865.90000114.3L158 S159L158-S162 WeakPolarHBondContact O-CB 3.23Å; L158-S162 PolarHBondContact O-N 3.18Å; L158-S162 PolarHBondContact O-OG 2.96Å; S159-S162 WeakPolarHBondContact CA-OG 3.4Å; S159-S162 PolarHBondContact O-N 3.24Å; S159-S162 PolarHBondContact O-OG 2.9Å
163Q56.9Low57.2Low153 Ų153125.2 Ų125.272%0.71568%0.68SS**Hα-helixtrans-84.4-14.4174.5-71.9177.933.400112.7S159 L160 L161S159-Q163 WeakPolarHBondContact O-CG 3.26Å; S159-Q163 PolarHBondContact O-N 3.04Å; S159-Q163 VanDerWaalsContact O-N 3.15Å; L160-Q163 PolarHBondContact O-N 3.34Å; L161-Q163 VanDerWaalsContact C-N 3.29Å; L161-Q163 PolarHBondContact O-N 2.85Å
164S54.8Low56.6Low95 Ų95124.7 Ų124.766%0.66468%0.681SS**SBendtrans-10430.3-169.4-172.20000114.2L160 L161L160-S164 WeakPolarHBondContact O-CB 3.25Å; L160-S164 PolarHBondContact O-N 3.46Å; L161-S164 PolarHBondContact O-N 3.49Å
165I56.8Low55.2Low144 Ų144128 Ų12874%0.73869%0.688SS**SBendtrans-122.67.8-177.935.3173.1000114.5
166M53.4Low53.7Low140 Ų140128.2 Ų128.269%0.6969%0.687SS**  trans-153.757177.2-151.9172.257.700114.1Q168M166-Q168 HydrophobicContact CG-CG 3.9Å; M166-Q168 PolarHBondContact O-N 3.48Å
167D52Low51.6Low144 Ų144127.4 Ų127.477%0.7769%0.685SS**  trans-68.896.2161.5-102.3-17.9000109E169 A170D167-E169 PolarHBondContact O-N 3.25Å; D167-A170 PolarHBondContact O-N 3.18Å
168Q56.5Low50.5Low127 Ų127129 Ų12959%0.59368%0.684SS**G310 helixtrans-71.9-11.7-177-65-175.5-12.700113.3M166 A170M166-Q168 HydrophobicContact CG-CG 3.9Å; M166-Q168 PolarHBondContact O-N 3.48Å; Q168-A170 VanDerWaalsContact C-N 3.26Å; Q168-A170 PolarHBondContact O-N 2.81Å
169E55.9Low49.3Very low179 Ų179130.4 Ų130.484%0.83669%0.687SS**G310 helixtrans-74.1-15.7175.7-61.3-171170.900112.7D167 L171D167-E169 PolarHBondContact O-N 3.25Å; E169-L171 VanDerWaalsContact C-N 3.32Å; E169-L171 PolarHBondContact O-N 2.79Å
170A53.5Low48Very low87 Ų87135.6 Ų135.672%0.71971%0.712SS**G310 helixtrans-82.6-0.9176.800000114.7D167 Q168D167-A170 PolarHBondContact O-N 3.18Å; Q168-A170 VanDerWaalsContact C-N 3.26Å; Q168-A170 PolarHBondContact O-N 2.81Å
171L46.3Very low46.8Very low144 Ų144137.3 Ų137.375%0.75473%0.727SS**G310 helixtrans-108.94.5-172.7-95.7164.8000115.2E169E169-L171 VanDerWaalsContact C-N 3.32Å; E169-L171 PolarHBondContact O-N 2.79Å
172N48.1Very low45.6Very low144 Ų144142.4 Ų142.477%0.7774%0.738SS**  trans-111.724.2-176.5-76.1-34.3000114.5
173E41.6Very low44.4Very low187 Ų187145.7 Ų145.787%0.87475%0.75SS**  trans-118.671.5174-69.9-164.2-151.500112.7
174V43.5Very low43.4Very low129 Ų129146.5 Ų146.578%0.78275%0.753SS**  trans-133116.3155.7-164.50000104.1
175E36.4Very low42.3Very low174 Ų174148.2 Ų148.281%0.81376%0.755SS**  -161.2143.381.5-94.3-174.9171.900114.8
176V33.5Very low41.2Very low104 Ų104148.1 Ų148.163%0.6376%0.755SS**  trans67.7105.2142.9179.50000118.6
177S31.7Very low40.1Very low82 Ų82146.2 Ų146.257%0.57376%0.756SS**  -173.3107.1112.7-80.70000116.6
178R35.3Very low39.2Very low197 Ų197144.7 Ų144.774%0.74376%0.757SS**  41.7128.3128.447.5-173153-109.2-18.7123
179E34.7Very low37.9Very low165 Ų165144.4 Ų144.477%0.77177%0.769SS**  trans60.1129.3145.8-91.166.4-168.600124.3
180D36.3Very low36.8Very low148 Ų148141.6 Ų141.679%0.79177%0.769SS**  trans56.2118148.6-69.7-14000122
181V36.5Very low35.5Very low150 Ų150140.5 Ų140.591%0.90977%0.766SS**  -153.9149.499.3166.50000109.3
182R32.9Very low34.7Very low224 Ų224137.8 Ų137.885%0.84576%0.759SS**  trans-71164.4-172.2-69.2-173.2-72.7-112.40.2116.5
183D34.9Very low34Very low143 Ų143141 Ų14177%0.76576%0.76SS**  trans-53.1154.5169.4-45.4-88000114.5
184E36.3Very low33.5Very low169 Ų169140.4 Ų140.479%0.7976%0.755SS**  -172.4114111.7-87.9-52.5172.200111.5
185D32.4Very low33.1Very low132 Ų132141.4 Ų141.471%0.70676%0.755SS**  79.5143.9130-1281.5000126.3
186L34.5Very low32.9Very low141 Ų141143.6 Ų143.674%0.73876%0.755SS**  trans80.795159.8-53.4-175000124
187S30Very low32.9Very low101 Ų101149.9 Ų149.971%0.70677%0.768SS**  74.6118.3112.2-151.20000123.2
188S33.3Very low33.1Very low112 Ų112151.1 Ų151.178%0.78377%0.772SS**  trans32.4117131.3-42.40000120.9
189S27.5Very low33Very low121 Ų121148.7 Ų148.785%0.84677%0.774SS**  177.6150.5115.9-168.90000113.5
190S33Very low33.1Very low120 Ų120146.3 Ų146.384%0.83977%0.766SS**  trans-54.6152.8170.2-178.70000114.7
191G26.6Very low33Very low64 Ų64151 Ų15166%0.6677%0.772SS**  trans154.385.9152.800000119.4
192S30.5Very low33.1Very low87 Ų87152.4 Ų152.461%0.60877%0.766SS**  trans29.8142143.4890000123
193R31.9Very low33.2Very low210 Ų210149 Ų14979%0.79277%0.77SS**  trans97.6116.2147.2-68.6172.7-87.8150.4-5.6119.6
194F32.1Very low33.2Very low175 Ų175151.8 Ų151.877%0.76878%0.775SS**  trans38.9111.8137.2-68.5-92.4000119.9
195I33.9Very low33.1Very low150 Ų150150.9 Ų150.977%0.76978%0.782SS**  -131.7108.8124.3-60.3-175.5000109.4R197I195-R197 HydrophobicContact CG2-CB 4.32Å; I195-R197 HydrophobicContact CG2-CG 4.1Å
196R33.3Very low33.3Very low220 Ų220152.3 Ų152.383%0.8379%0.789SS**  trans-78.3127.6152.8-78.1-172.4177.8-1630.8107.4
197R34.2Very low33.2Very low236 Ų236152 Ų15289%0.89179%0.793SS**  trans-133.4109.6159.4-101.1-177.8169.5158-1.8111.2I195I195-R197 HydrophobicContact CG2-CB 4.32Å; I195-R197 HydrophobicContact CG2-CG 4.1Å
198T35.6Very low33.2Very low108 Ų108158.2 Ų158.266%0.66380%0.801SS**  trans-93144.9173.249.30000110.8
199N32.9Very low33.1Very low147 Ų147156.8 Ų156.879%0.78680%0.796SS**  trans-175110137.4-93.8-40.1000108.3
200I36Very low33.3Very low115 Ų115158.1 Ų158.159%0.5980%0.799SS**  69108.572.7-62172.4000113.6K202I200-K202 HydrophobicContact CG2-CD 4.36Å; I200-K202 HydrophobicContact CG2-CG 4.08Å
201R35.4Very low33.2Very low245 Ų245161.6 Ų161.693%0.92580%0.802SS**  trans-169.391.9139.9-97160.1-163.1-143.85106.6
202K37.8Very low33.5Very low181 Ų181168.5 Ų168.579%0.78781%0.814SS**  62.4103.683.4-69.8-175.8179.6176.10114.7I200I200-K202 HydrophobicContact CG2-CD 4.36Å; I200-K202 HydrophobicContact CG2-CG 4.08Å
203T34.4Very low33.5Very low151 Ų151176.1 Ų176.193%0.92683%0.829SS**  trans-130.7150.1132.746.20000108.8
204K36.5Very low33.3Very low202 Ų202175.9 Ų175.988%0.87883%0.834SS**  trans-108.1138.8-177.7-70.8173.5172.5177.90109.7
205T32.9Very low33.1Very low151 Ų151170.5 Ų170.593%0.92683%0.828SS**  trans-142.5119.3134.5380000108.5
206L37.2Very low32.7Very low162 Ų162170 Ų17085%0.84882%0.822SS**  trans-143.1120.9168.5-179.175.7000107.7
207T31.5Very low32.3Very low135 Ų135169.1 Ų169.183%0.82882%0.818SS**  trans-103.3135.8160.836.20000109
208R30.6Very low32.1Very low230 Ų230165.9 Ų165.987%0.86882%0.818SS**  trans-60.8139.3179.7-79.6147.842.1-178.4-9.9110.3
209A30.8Very low31.5Very low82 Ų82163.8 Ų163.868%0.67882%0.818SS**  cis73.2110.647.300000114.9
210T31.3Very low31.2Very low149 Ų149161.8 Ų161.891%0.91482%0.815SS**  trans-168.9108138.829.50000110.6
211Q31.9Very low30.9Very low193 Ų193164.5 Ų164.590%0.90283%0.825SS**  trans-115114.7162-169.4178.918.500108.4
212K33.1Very low30.6Very low210 Ų210157.5 Ų157.591%0.91382%0.82SS**  trans-79.3132.5173.8-87.6-177.6173.6176.50109.9
213R30.8Very low30.3Very low247 Ų247152.8 Ų152.893%0.93282%0.823SS**  trans-99.1140.2165.6-93.7-174.7160.4-161.8-4.5111.1
214K27.3Very low29.9Very low204 Ų204148.9 Ų148.989%0.88781%0.812SS**  trans-163.3118.1149.1-146.3164.6-178.8178.30104.2
215G26.9Very low29.8Very low62 Ų62148.1 Ų148.164%0.63981%0.809SS**  91.6124.256.200000107.3
216H26.5Very low29.7Very low141 Ų141147.3 Ų147.365%0.65379%0.794SS**  cis-165.7156.620.4-86.6-78.3000112.3
217R25.5Very low29.3Very low200 Ų200145.6 Ų145.676%0.75579%0.786SS**  trans61.6155138.6-74.3-176.1-105.3-125.14.6118.8
218L28.6Very low29.5Very low169 Ų169146.1 Ų146.189%0.88578%0.782SS**  cis-130.2178.9-4.8-73.398.5000107.4
219G24.4Very low30.1Very low64 Ų64141 Ų14166%0.6678%0.779SS**  cis140.5147.6-000000111.5
220S26.3Very low30.1Very low104 Ų104143.4 Ų143.473%0.72779%0.785SS**  trans69.6151.2-177.8-92.40000117.3
221H28.4Very low30.3Very low173 Ų173142.8 Ų142.880%0.80178%0.781SS**  cis-138.4160.23.9-114.4-62.7000113.5
222A29.9Very low30.7Very low98 Ų98138.6 Ų138.681%0.8177%0.77SS**  trans-28.1154.7156.600000115.7
223G31.6Very low30.5Very low82 Ų82135.8 Ų135.885%0.84576%0.764SS**  cis162.6174.221.100000105.2
224G26.5Very low30.5Very low68 Ų68135 Ų13570%0.70176%0.761SS**  cis144.6116.95.200000108.1
225K33.4Very low30.8Very low187 Ų187131.3 Ų131.381%0.81376%0.761SS**  trans73.3153.8174.6-52.4168.6157.4-85.40114.9
226E32Very low30.9Very low133 Ų133131.4 Ų131.462%0.62176%0.762SS**  cis-165.9147-14.7-111.9165.9-135.400110
227N29Very low30.9Very low127 Ų127136.8 Ų136.868%0.67978%0.776SS**  trans84139.3135.4-80.6-41.7000125.5
228I35.3Very low31.5Very low145 Ų145131.3 Ų131.374%0.74477%0.774SS**  trans85.1124.4153.7-61145.7000119.3
229P41.8Very low32.7Very low123 Ų123128.5 Ų128.580%0.79977%0.766SS**  trans-94.8155.2172.937.9-33.9000113.2
230V32.3Very low33.2Very low132 Ų132132.8 Ų132.880%0.877%0.773SS**  trans-139.6129.3170.1-178.80000110.8
231T34.7Very low34.5Very low137 Ų137132.9 Ų132.984%0.8477%0.772SS**  trans-117.3141.6161.2440000108.3
232P39.6Very low35Very low104 Ų104130.3 Ų130.368%0.67577%0.768SS**  -156.2140.5114.233.5-12.4000119
233I30.5Very low35.1Very low152 Ų152130.2 Ų130.278%0.77977%0.767SS**  75.8116.5126.3-58.5170.7000123.3
234R30.3Very low35.5Very low231 Ų231134 Ų13487%0.87277%0.768SS**  trans21.2136.9137.8-57.3167.767.5171.61.8122.6
235S32.8Very low35.8Very low125 Ų125138.5 Ų138.587%0.87478%0.775SS**  148.6141.4109.7-164.50000110.3
236G28.8Very low35.9Very low64 Ų64133.5 Ų133.566%0.6677%0.769SS**  cis172.1-169-0.300000110.5
237R28.3Very low36.4Very low254 Ų254133.9 Ų133.996%0.95878%0.781SS**  trans92.7133.4174.5-155.7174.7-166.5-178.13.9117.6
238A36.3Very low36.9Very low86 Ų86132.9 Ų132.971%0.71179%0.79SS**  trans-150-176.917200000106.4
239P53.8Low36.8Very low110 Ų110130.9 Ų130.971%0.71480%0.795SS**  cis-124.1-178.7-11.940.9-26000112.7
240D35Very low36.3Very low153 Ų153131.4 Ų131.482%0.81880%0.796SS**  -167.1157.1121-103.1-15.8000112.4
241P54Low36.6Very low106 Ų106133.3 Ų133.369%0.68879%0.794SS**  trans-105.2176.5-16940.1-34.5000114.5
242T38.8Very low36.8Very low119 Ų119137.6 Ų137.673%0.7379%0.794SS**  trans97.690.3162-38.40000117.8L244T242-L244 HydrophobicContact CG2-CG 4.26Å
243A33.1Very low36.4Very low96 Ų96142.3 Ų142.379%0.79380%0.804SS**  trans-157.587147.800000107.5
244L38.3Very low36.6Very low162 Ų162142.4 Ų142.485%0.84881%0.806SS**  79.6124.181.3-75.4175.1000114.6T242T242-L244 HydrophobicContact CG2-CG 4.26Å
245N34.3Very low36.7Very low162 Ų162138 Ų13887%0.86681%0.805SS**  trans-80.9163.4-178.9-78.7-49000113.4
246A34.4Very low36.6Very low83 Ų83141.6 Ų141.669%0.68681%0.805SS**  trans75.4112138.900000121.4
247T43.6Very low36.5Very low140 Ų140147.8 Ų147.886%0.85982%0.816SS**  45.797.512962.80000120.3
248A38.4Very low36.3Very low106 Ų106147.1 Ų147.188%0.87681%0.814SS**  trans-160.4100.5147.500000111.6
249A34.3Very low36.4Very low103 Ų103148.3 Ų148.385%0.85181%0.814SS**  trans-138.164.4178.800000113
250V29.8Very low35Very low134 Ų134147.7 Ų147.781%0.81281%0.813SS**  trans-144118.5162.1-162.80000109.8
251K38.6Very low34.8Very low173 Ų173146.6 Ų146.675%0.75281%0.807SS**  152.7145.2129.1-84.9-178.2-178.5176.10114.2
252R39.9Very low33.8Very low227 Ų227149.3 Ų149.386%0.85781%0.81SS**  trans80.492.9154.5-75.3174-87.4-152.8-0.9118.5
253F32Very low33.3Very low202 Ų202149.1 Ų149.189%0.88681%0.805SS**  trans-82.3121.5150-81.6-89.6000111.1
254L34.9Very low33.3Very low155 Ų155151.8 Ų151.881%0.81280%0.801SS**  trans54.9113.4138.1-53.6177.6000121.5
255T31.1Very low33Very low139 Ų139152 Ų15285%0.85380%0.798SS**  trans-134.2120.1146.849.20000110.1
256K30.2Very low32.9Very low200 Ų200152.9 Ų152.987%0.8780%0.796SS**  trans169.397.2146.8-99.9178.8175.6-176.50113.5
257Q26.9Very low32.7Very low193 Ų193153.8 Ų153.890%0.90280%0.804SS**  20124.6115.7-161.5174.12700118.8
258R24.5Very low32.4Very low240 Ų240152.7 Ų152.791%0.90680%0.802SS**  trans-144.6143.9156.2-170.6175.6-177175.11.8109.5
259P37.7Very low32.3Very low111 Ų111154 Ų15472%0.72180%0.799SS**  trans-108.9-177.1-171.541.9-36.3000115.3
260S25.2Very low32.3Very low98 Ų98156.4 Ų156.469%0.68580%0.797SS**  trans91.6106.9157.882.40000121
261D30.7Very low32.3Very low129 Ų129155.2 Ų155.269%0.6979%0.789SS**  96.5109116.9-72.429.2000123.5
262Q32.9Very low32.2Very low163 Ų163152.5 Ų152.576%0.76279%0.792SS**  98.3132.7124.2-70177.448.700122.3
263N28.1Very low31.9Very low116 Ų116149.6 Ų149.662%0.6279%0.789SS**  trans89.9116157.2-84.930000123.6
264E33.9Very low31.7Very low151 Ų151145.3 Ų145.371%0.70678%0.778SS**  trans64.2141.3133.4-65.7166.4-165.100119.2
265E32.6Very low31.5Very low167 Ų167144.9 Ų144.978%0.7878%0.776SS**  cis-156.7170.9-13.8-125.7176.5-173.600109.3
266E30.7Very low31.4Very low180 Ų180146.9 Ų146.984%0.84178%0.782SS**  trans-6130.6171.8-50.7-169.8147.600121.8
267A31.4Very low31.5Very low103 Ų103140.9 Ų140.985%0.85177%0.769SS**  -176.3147114.200000113
268S36.7Very low31.7Very low117 Ų117140.9 Ų140.982%0.81877%0.769SS**  trans-89-174.5-178.1-62.60000113.7
269V35.7Very low32.3Very low133 Ų133137.2 Ų137.281%0.80677%0.767SS**  trans111.395.4153.2-174.10000117.5
270L35.6Very low32.2Very low153 Ų153137.9 Ų137.980%0.80177%0.771SS**  66.9113120.6-141.381.7000122.7
271V29.1Very low32.5Very low109 Ų109138.9 Ų138.966%0.66178%0.779SS**  trans38.6113.6132.3-171.10000121
272S35.5Very low32.4Very low116 Ų116144 Ų14481%0.81179%0.788SS**  -172.7122.1127.6-79.10000106.9
273Q35.2Very low32.5Very low167 Ų167145.6 Ų145.678%0.7880%0.796SS**  cis68.8133.635.4-143.9-174.936.400114.5
274V27.8Very low32.6Very low111 Ų111146 Ų14667%0.67381%0.807SS**  trans92.196.4164.8-166.80000118
275L29.8Very low32.4Very low146 Ų146142.3 Ų142.376%0.76481%0.81SS**  35.5122.1125.9-49.7173.1000119.5A277L275-A277 VanDerWaalsContact C-N 3.29Å; L275-A277 PolarHBondContact O-N 2.74Å
276N29Very low32.6Very low181 Ų181145.3 Ų145.397%0.96881%0.814SS**  trans-68.891.6142.5-95-13.5000109
277A32.6Very low32.8Very low74 Ų74143.7 Ų143.761%0.61281%0.81SS**  trans-104.9127.2150.800000106.9L275L275-A277 VanDerWaalsContact C-N 3.29Å; L275-A277 PolarHBondContact O-N 2.74Å
278E31.3Very low32.8Very low193 Ų193149 Ų14990%0.90281%0.808SS**  trans-66.8142.3-169.2-63.2-176.4156.900113.1
279L36.2Very low32.7Very low164 Ų164151 Ų15186%0.85980%0.802SS**  trans-65.9144.3179.7-89.466000112.8
280P36.7Very low32.4Very low124 Ų124152.2 Ų152.281%0.80580%0.798SS**  trans-110.6122.3149.433.7-24.3000111.2
281S30.9Very low32.2Very low120 Ų120150.6 Ų150.684%0.83980%0.795SS**  trans-93.7149.6167.881.30000111.3
282R29Very low32.3Very low237 Ų237152.6 Ų152.689%0.89480%0.797SS**  trans-124.6135.6-176.9-96.8-173.3168.7-126.61.8111.5
283Q34.1Very low32.2Very low196 Ų196157.2 Ų157.292%0.91680%0.797SS**  trans172147.3142.2-95.9169.647.500106.9
284S31.1Very low32Very low123 Ų123155 Ų15586%0.8680%0.795SS**  cis-164.5140.6-16.4-179.90000106.7
285G29.8Very low32.1Very low74 Ų74160.7 Ų160.776%0.76380%0.804SS**  trans171.261.8-176.100000119.7
286R36.3Very low32.3Very low230 Ų230163.7 Ų163.787%0.86881%0.811SS**  trans19116.5147.6-95-176-177.6-171.22.5120.4
287I35.6Very low32.3Very low147 Ų147158.8 Ų158.875%0.75480%0.804SS**  146.1106.3121.1-74.8150000115.2
288R31.9Very low32.2Very low213 Ų213160.2 Ų160.280%0.80482%0.815SS**  trans53.5117.9138-66.1-178.3168.9-178.6-2.9123.3
289K33.4Very low32Very low161 Ų161157.7 Ų157.770%0.782%0.817SS**  96.7116.4121.1-80.3-176.9174.5-164.30121.3
290H28.6Very low31.6Very low158 Ų158161.2 Ų161.273%0.73182%0.819SS**  trans60.8142.8146.5-57.7-65.2000118.2
291T31.9Very low31.3Very low119 Ų119159.3 Ų159.373%0.7381%0.813SS**  cis-160.1144.61.12.50000110.6
292E30.8Very low31.6Very low150 Ų150161.1 Ų161.170%0.70181%0.813SS**  trans31.9110.5136.2-74-74.3130.600120.7
293R33.6Very low31.5Very low213 Ų213158.4 Ų158.480%0.80481%0.81SS**  149.5113.9113-88.5156.3-176.2-165.3-4.6118.4
294T30.8Very low31.6Very low121 Ų121156.4 Ų156.474%0.74281%0.805SS**  trans53.1131138.537.40000125.1
295R31.5Very low31.8Very low231 Ų231156.5 Ų156.587%0.87280%0.796SS**  trans93.8105.6137.1-77.5175.3-179.3-172.10.4121.1
296K32.8Very low32Very low208 Ų208156.8 Ų156.890%0.90480%0.799SS**  37.8116.4126.1-81.7-175.4168.8-175.80118.7
297G29.7Very low32.1Very low79 Ų79150 Ų15081%0.81479%0.787SS**  trans-89.9171.6151.800000112.8
298A30.3Very low32.1Very low103 Ų103147.9 Ų147.985%0.85179%0.785SS**  trans-160.1133.916200000110.4
299C27.2Very low32.5Very low140 Ų140143.1 Ų143.195%0.94677%0.771SS**  trans-98.5146.6161.7-70.20000109
300R28.5Very low32.9Very low239 Ų239140.4 Ų140.490%0.90278%0.778SS**  trans-106.6108.3-171.2-172.9-178.4-178.2-160.91.1111.2
301A29.4Very low33.5Very low83 Ų83138.3 Ų138.369%0.68678%0.781SS**  trans-91.2157.116000000109.8E303A301-E303 PolarHBondContact O-N 2.76Å; A301-E303 VanDerWaalsContact O-N 3.07Å
302L36.5Very low34Very low158 Ų158137.3 Ų137.383%0.82777%0.771SS**  trans-82.279.9-178.4-81.2156.6000111.6
303E27.8Very low34.6Very low180 Ų180135.9 Ų135.984%0.84178%0.777SS**  trans-76.6131.7150.7-65.3-178.414700108.2A301A301-E303 PolarHBondContact O-N 2.76Å; A301-E303 VanDerWaalsContact O-N 3.07Å
304L36.8Very low35.1Very low154 Ų154128.6 Ų128.681%0.80677%0.769SS**  trans-103.299.7170.5-86.4168000110.1
305D34Very low36.2Very low125 Ų125130.6 Ų130.667%0.66878%0.775SS**  trans50.674.2154.5-64.6-1.6000118.9S307D305-S307 PolarHBondContact OD1-OG 3.08Å
306G33.7Very low37.3Very low81 Ų81126.2 Ų126.284%0.83576%0.764SS**  trans-74.91.3141.200000113.6S308G306-S308 PolarHBondContact O-N 3.37Å
307S38.8Very low38.8Very low88 Ų88119.5 Ų119.562%0.61574%0.744SS**  trans-95.468.9-171.748.30000113.8D305D305-S307 PolarHBondContact OD1-OG 3.08Å
308S36.5Very low40.4Very low102 Ų102120.4 Ų120.471%0.71374%0.738SS**SBendtrans-128.427.4161.3-154.60000112.8G306G306-S308 PolarHBondContact O-N 3.37Å
309F40.8Very low42.4Very low113 Ų113120 Ų12050%0.49672%0.721SS.*SBendtrans-128.9-17.1-173.5-91.1-69.3000116.9S311 L321F309-S311 PolarHBondContact O-N 3.31Å; F309-L321 HydrophobicContact CD1-CD2 4.4Å; F309-L321 HydrophobicContact CE1-CD1 3.31Å; F309-L321 HydrophobicContact CE1-CD2 3.21Å; F309-L321 HydrophobicContact CE1-CG 3.74Å; F309-L321 HydrophobicContact CZ-CD1 3.43Å; F309-L321 VanDerWaalsContact CZ-CD1 3.43Å; F309-L321 HydrophobicContact CZ-CD2 3.47Å; F309-L321 VanDerWaalsContact CZ-CD2 3.47Å; F309-L321 HydrophobicContact CZ-CG 3.8Å
310A40.7Very low44.6Very low103 Ų103114.2 Ų114.285%0.85169%0.685SS**THydrogen-bonded Turntrans-815.7-174.400000114.8
311S40.6Very low47Very low114 Ų114104.8 Ų104.880%0.79765%0.652SS**THydrogen-bonded Turntrans-131.611.4-175.6-55.20000114.9F309 S313F309-S311 PolarHBondContact O-N 3.31Å; S311-S313 PolarHBondContact O-N 3.29Å
312L43.3Very low49.2Very low98 Ų98102.4 Ų102.451%0.51363%0.627SS.*  trans-97.272.9169.5-71.2175.5000110.2Q316 L321L312-Q316 HydrophobicContact CD2-CG 4.34Å; L312-L321 HydrophobicContact CD1-CD1 4.35Å
313S42.6Very low51.2Low120 Ų120100.2 Ų100.284%0.83961%0.613SS**  trans-151.2118.4171.2-177.80000109.3S311S311-S313 PolarHBondContact O-N 3.29Å
314G45.6Very low53.8Low60 Ų6097 Ų9762%0.61960%0.602SS**SBendcis-98.2173.3-20.600000111.1
315D52.4Low55.6Low164 Ų16492.2 Ų92.288%0.87758%0.575SS**SBendcis-135.726.121.4-62.9-47.5000113S317D315-S317 PolarHBondContact O-N 2.95Å
316Q55Low57.8Low138 Ų13890.9 Ų90.965%0.64557%0.568SS**  trans-73.5113.9-177.3-66.1-650.700111.9L312L312-Q316 HydrophobicContact CD2-CG 4.34Å
317S65.3Low59.9Low68 Ų6888.7 Ų88.748%0.47655%0.546SS..  trans-57.4136.9172.9177.30000110.9D315 L319 G320 L321D315-S317 PolarHBondContact O-N 2.95Å; S317-L319 PolarHBondContact O-N 3.36Å; S317-L319 WeakPolarHBondContact OG-CB 3.36Å; S317-L319 PolarHBondContact OG-N 2.92Å; S317-G320 PolarHBondContact O-N 3.49Å; S317-L321 PolarHBondContact O-N 2.93Å
318S62Low62Low98 Ų9890 Ų9069%0.68554%0.542SS*.Hα-helixtrans-58.1-17.1175.2540000113.8
319L72.9Confident64.1Low95 Ų9586 Ų8650%0.49751%0.513SS..Hα-helixtrans-68.7-47.7169-175.375.3000112.5S317 L321 L322 Q323S317-L319 PolarHBondContact O-N 3.36Å; S317-L319 WeakPolarHBondContact OG-CB 3.36Å; S317-L319 PolarHBondContact OG-N 2.92Å; L319-L321 VanDerWaalsContact C-N 3.32Å; L319-L321 PolarHBondContact O-N 2.93Å; L319-L322 PolarHBondContact O-N 3.13Å; L319-L322 VanDerWaalsContact O-N 3.08Å; L319-Q323 PolarHBondContact O-N 3.32Å
320G73.8Confident65.6Low18 Ų1886.8 Ų86.819%0.18652%0.516CS..Hα-helixtrans-63.2-41.6-175.400000111.3S317 L322 Q323 D324S317-G320 PolarHBondContact O-N 3.49Å; G320-L322 VanDerWaalsContact C-N 3.33Å; G320-L322 PolarHBondContact O-N 2.94Å; G320-Q323 CarbonylContact O-C 3.59Å; G320-Q323 WeakPolarHBondContact O-CA 3.48Å; G320-Q323 VanDerWaalsContact O-CB 3.32Å; G320-Q323 WeakPolarHBondContact O-CB 3.36Å; G320-Q323 PolarHBondContact O-N 3.21Å; G320-Q323 VanDerWaalsContact O-N 3.1Å; G320-D324 PolarHBondContact O-N 2.82Å
321L78.2Confident67.4Low40 Ų4083.9 Ų83.921%0.20949%0.493CS..Hα-helixtrans-54.7-45.3170.4-178.583.1000113.8F309 L312 S317 L319 Q323 D324 M325F309-L321 HydrophobicContact CD1-CD2 4.4Å; F309-L321 HydrophobicContact CE1-CD1 3.31Å; F309-L321 HydrophobicContact CE1-CD2 3.21Å; F309-L321 HydrophobicContact CE1-CG 3.74Å; F309-L321 HydrophobicContact CZ-CD1 3.43Å; F309-L321 VanDerWaalsContact CZ-CD1 3.43Å; F309-L321 HydrophobicContact CZ-CD2 3.47Å; F309-L321 VanDerWaalsContact CZ-CD2 3.47Å; F309-L321 HydrophobicContact CZ-CG 3.8Å; L312-L321 HydrophobicContact CD1-CD1 4.35Å; S317-L321 PolarHBondContact O-N 2.93Å; L319-L321 VanDerWaalsContact C-N 3.32Å; L319-L321 PolarHBondContact O-N 2.93Å; L321-Q323 VanDerWaalsContact C-N 3.27Å; L321-D324 PolarHBondContact O-N 2.96Å; L321-M325 WeakPolarHBondContact O-CG 3.26Å; L321-M325 PolarHBondContact O-N 3.06Å
322L75.9Confident69Low33 Ų3380.3 Ų80.317%0.17347%0.465CS..Hα-helixtrans-69.4-32.8179.9-129.5175.7000110.6L319 G320 L326 V361 V364L319-L322 PolarHBondContact O-N 3.13Å; L319-L322 VanDerWaalsContact O-N 3.08Å; G320-L322 VanDerWaalsContact C-N 3.33Å; G320-L322 PolarHBondContact O-N 2.94Å; L322-L326 WeakPolarHBondContact O-CB 3.34Å; L322-L326 PolarHBondContact O-N 2.84Å; L322-V361 HydrophobicContact CD1-CB 4.45Å; L322-V361 HydrophobicContact CD1-CG2 3.6Å; L322-V361 HydrophobicContact CG-CG2 3.97Å; L322-V364 HydrophobicContact CD2-CB 3.95Å; L322-V364 HydrophobicContact CD2-CG1 4.3Å; L322-V364 HydrophobicContact CD2-CG2 3.62Å
323Q78.7Confident70.4Confident112 Ų11280.3 Ų80.352%0.52346%0.464SS..Hα-helixtrans-68.2-38.4173.5-161.9166.922.400111.7L319 G320 L321 G327L319-Q323 PolarHBondContact O-N 3.32Å; G320-Q323 CarbonylContact O-C 3.59Å; G320-Q323 WeakPolarHBondContact O-CA 3.48Å; G320-Q323 VanDerWaalsContact O-CB 3.32Å; G320-Q323 WeakPolarHBondContact O-CB 3.36Å; G320-Q323 PolarHBondContact O-N 3.21Å; G320-Q323 VanDerWaalsContact O-N 3.1Å; L321-Q323 VanDerWaalsContact C-N 3.27Å; Q323-G327 PolarHBondContact O-N 2.83Å
324D81.9Confident71.5Confident114 Ų11477.9 Ų77.961%0.6144%0.442SS*.Hα-helixtrans-68.1-45172.7-68.2-22.4000111.6G320 L321 L326 G327 Q328G320-D324 PolarHBondContact O-N 2.82Å; L321-D324 PolarHBondContact O-N 2.96Å; D324-L326 VanDerWaalsContact C-N 3.35Å; D324-L326 PolarHBondContact O-N 3.47Å; D324-G327 CarbonylContact O-C 3.58Å; D324-G327 WeakPolarHBondContact O-CA 3.45Å; D324-G327 PolarHBondContact O-N 3.43Å; D324-Q328 PolarHBondContact O-N 3.39Å
325M76.1Confident72.8Confident52 Ų5278.7 Ų78.726%0.25644%0.435SS..Hα-helixtrans-62.2-41.4174.7-75-175.465.400111.9L321 G327 Q328 V329 V361 V364L321-M325 WeakPolarHBondContact O-CG 3.26Å; L321-M325 PolarHBondContact O-N 3.06Å; M325-G327 VanDerWaalsContact C-N 3.34Å; M325-Q328 PolarHBondContact O-N 2.88Å; M325-V329 WeakPolarHBondContact O-CG2 3.37Å; M325-V329 PolarHBondContact O-N 3.36Å; M325-V361 HydrophobicContact SD-CG1 4.38Å; M325-V364 HydrophobicContact CB-CG1 4.05Å
326L79.8Confident73.1Confident97 Ų9774.5 Ų74.551%0.50841%0.411SS..Hα-helixtrans-68.2-36.2174.5-175.164.5000111.2L322 D324 V329 K330 V364L322-L326 WeakPolarHBondContact O-CB 3.34Å; L322-L326 PolarHBondContact O-N 2.84Å; D324-L326 VanDerWaalsContact C-N 3.35Å; D324-L326 PolarHBondContact O-N 3.47Å; L326-V329 PolarHBondContact O-N 2.68Å; L326-K330 WeakPolarHBondContact O-CB 3.28Å; L326-K330 PolarHBondContact O-N 2.84Å; L326-V364 HydrophobicContact CB-CG1 4.49Å; L326-V364 HydrophobicContact CD1-CG2 4.41Å
327G78.1Confident73Confident36 Ų3670.4 Ų70.437%0.37140%0.398SS..Hα-helixtrans-62.2-41.8172.800000112.5Q323 D324 M325 K330 A331Q323-G327 PolarHBondContact O-N 2.83Å; D324-G327 CarbonylContact O-C 3.58Å; D324-G327 WeakPolarHBondContact O-CA 3.45Å; D324-G327 PolarHBondContact O-N 3.43Å; M325-G327 VanDerWaalsContact C-N 3.34Å; G327-K330 PolarHBondContact O-N 3.39Å; G327-A331 WeakPolarHBondContact O-CB 3.46Å; G327-A331 PolarHBondContact O-N 2.94Å
328Q81.6Confident72.3Confident114 Ų11471.8 Ų71.853%0.53341%0.407SS..Hα-helixtrans-66-47.4174.1-175.36354.600111.5D324 M325 K330 A331 D332D324-Q328 PolarHBondContact O-N 3.39Å; M325-Q328 PolarHBondContact O-N 2.88Å; Q328-K330 VanDerWaalsContact C-N 3.25Å; Q328-K330 PolarHBondContact O-N 3.22Å; Q328-A331 PolarHBondContact O-N 2.64Å; Q328-D332 PolarHBondContact NE2-OD1 3.39Å; Q328-D332 WeakPolarHBondContact O-CB 3.44Å; Q328-D332 VanDerWaalsContact O-CG 3.22Å; Q328-D332 PolarHBondContact O-N 2.98Å
329V80.1Confident71.2Confident19 Ų1974.7 Ų74.712%0.11542%0.416CS..Hα-helixtrans-62.3-35.9176.6172.20000111.3M325 L326 L333 V364 I367 V371M325-V329 WeakPolarHBondContact O-CG2 3.37Å; M325-V329 PolarHBondContact O-N 3.36Å; L326-V329 PolarHBondContact O-N 2.68Å; V329-L333 WeakPolarHBondContact O-CB 3.49Å; V329-L333 PolarHBondContact O-N 2.89Å; V329-V364 HydrophobicContact CG2-CG1 4.31Å; V329-I367 HydrophobicContact CG1-CG2 3.81Å; V329-V371 HydrophobicContact CG1-CG2 4.46Å
330K74.2Confident69.6Low129 Ų12975.1 Ų75.156%0.56142%0.422SS*.Hα-helixtrans-68-46.2173.6-177.7174.3178179.40111.5L326 G327 Q328 D332 L333 D334L326-K330 WeakPolarHBondContact O-CB 3.28Å; L326-K330 PolarHBondContact O-N 2.84Å; G327-K330 PolarHBondContact O-N 3.39Å; Q328-K330 VanDerWaalsContact C-N 3.25Å; Q328-K330 PolarHBondContact O-N 3.22Å; K330-D332 VanDerWaalsContact C-N 3.34Å; K330-D332 PolarHBondContact O-N 3.16Å; K330-L333 CarbonylContact O-C 3.6Å; K330-L333 WeakPolarHBondContact O-CB 3.28Å; K330-L333 PolarHBondContact O-N 3.42Å; K330-L333 VanDerWaalsContact O-N 3.15Å; K330-D334 WeakPolarHBondContact CE-OD2 3.33Å; K330-D334 WeakPolarHBondContact CG-OD2 3.48Å; K330-D334 WeakPolarHBondContact O-CB 3.42Å; K330-D334 PolarHBondContact O-N 3.39Å
331A76.6Confident67.5Low43 Ų4378.7 Ų78.736%0.35545%0.45SS..Hα-helixtrans-61.5-41.5175.900000111.9G327 Q328 L333 D334 T335G327-A331 WeakPolarHBondContact O-CB 3.46Å; G327-A331 PolarHBondContact O-N 2.94Å; Q328-A331 PolarHBondContact O-N 2.64Å; A331-L333 VanDerWaalsContact C-N 3.3Å; A331-L333 PolarHBondContact O-N 3.36Å; A331-D334 PolarHBondContact O-N 2.95Å; A331-T335 WeakPolarHBondContact O-CG2 3.46Å; A331-T335 PolarHBondContact O-N 2.84Å; A331-T335 PolarHBondContact O-OG1 2.85Å
332D75.9Confident66.1Low39 Ų3982.9 Ų82.921%0.20948%0.479CS..Hα-helixtrans-61-40.6174.5-68.8-16000111Q328 K330 T335 M336 V371Q328-D332 PolarHBondContact NE2-OD1 3.39Å; Q328-D332 WeakPolarHBondContact O-CB 3.44Å; Q328-D332 VanDerWaalsContact O-CG 3.22Å; Q328-D332 PolarHBondContact O-N 2.98Å; K330-D332 VanDerWaalsContact C-N 3.34Å; K330-D332 PolarHBondContact O-N 3.16Å; D332-T335 PolarHBondContact O-OG1 3.42Å; D332-M336 WeakPolarHBondContact O-CG 3.35Å; D332-M336 PolarHBondContact O-N 3.22Å; D332-V371 HydrophobicContact CB-CG1 3.74Å
333L72Confident64Low97 Ų9790.3 Ų90.351%0.50851%0.513SS..Hα-helixtrans-70.1-40.6175.2-172.467.2000112.8V329 K330 A331 T335 M336 S337V329-L333 WeakPolarHBondContact O-CB 3.49Å; V329-L333 PolarHBondContact O-N 2.89Å; K330-L333 CarbonylContact O-C 3.6Å; K330-L333 WeakPolarHBondContact O-CB 3.28Å; K330-L333 PolarHBondContact O-N 3.42Å; K330-L333 VanDerWaalsContact O-N 3.15Å; A331-L333 VanDerWaalsContact C-N 3.3Å; A331-L333 PolarHBondContact O-N 3.36Å; L333-T335 VanDerWaalsContact C-N 3.31Å; L333-T335 PolarHBondContact O-N 2.87Å; L333-M336 CarbonylContact O-C 3.56Å; L333-M336 WeakPolarHBondContact O-CA 3.34Å; L333-M336 WeakPolarHBondContact O-CB 3.38Å; L333-M336 PolarHBondContact O-N 3.15Å; L333-S337 PolarHBondContact O-N 2.95Å
334D66.2Low62.2Low69 Ų6989.9 Ų89.937%0.36952%0.523SS..Hα-helixtrans-67.4-33178.7-68-18.3000110.5K330 A331 M336 S337 S338K330-D334 WeakPolarHBondContact CE-OD2 3.33Å; K330-D334 WeakPolarHBondContact CG-OD2 3.48Å; K330-D334 WeakPolarHBondContact O-CB 3.42Å; K330-D334 PolarHBondContact O-N 3.39Å; A331-D334 PolarHBondContact O-N 2.95Å; D334-M336 PolarHBondContact O-N 3.46Å; D334-S337 WeakPolarHBondContact CA-OG 3.3Å; D334-S337 PolarHBondContact O-N 3.04Å; D334-S337 PolarHBondContact O-OG 3.48Å; D334-S338 WeakPolarHBondContact O-CB 3.48Å; D334-S338 PolarHBondContact O-N 2.87Å; D334-S338 PolarHBondContact O-OG 2.9Å
335T72.8Confident59.7Low77 Ų7791.3 Ų91.347%0.47254%0.536SS..Hα-helixtrans-67.8-21.4169.562.60000113.6A331 D332 L333 R375A331-T335 WeakPolarHBondContact O-CG2 3.46Å; A331-T335 PolarHBondContact O-N 2.84Å; A331-T335 PolarHBondContact O-OG1 2.85Å; D332-T335 PolarHBondContact O-OG1 3.42Å; L333-T335 VanDerWaalsContact C-N 3.31Å; L333-T335 PolarHBondContact O-N 2.87Å; T335-R375 PolarHBondContact OG1-NH1 2.88Å
336M58.3Low57.5Low76 Ų7692.1 Ų92.137%0.37456%0.557SS.*Hα-helixtrans-87.1-33.4171.8-63.5-70.5-5700111.7D332 L333 D334 R375 E378D332-M336 WeakPolarHBondContact O-CG 3.35Å; D332-M336 PolarHBondContact O-N 3.22Å; L333-M336 CarbonylContact O-C 3.56Å; L333-M336 WeakPolarHBondContact O-CA 3.34Å; L333-M336 WeakPolarHBondContact O-CB 3.38Å; L333-M336 PolarHBondContact O-N 3.15Å; D334-M336 PolarHBondContact O-N 3.46Å; M336-R375 HydrophobicContact SD-CG 4.42Å; M336-E378 HydrophobicContact CE-CB 4.35Å; M336-E378 HydrophobicContact CE-CG 4.17Å
337S53.2Low55.6Low52 Ų5292.4 Ų92.436%0.36457%0.568SS.*Hα-helixtrans-80-16.4-179.877.90000113.6L333 D334 D339 T340L333-S337 PolarHBondContact O-N 2.95Å; D334-S337 WeakPolarHBondContact CA-OG 3.3Å; D334-S337 PolarHBondContact O-N 3.04Å; D334-S337 PolarHBondContact O-OG 3.48Å; S337-D339 PolarHBondContact O-N 3.46Å; S337-D339 VanDerWaalsContact O-N 3.16Å; S337-T340 PolarHBondContact O-N 2.81Å; S337-T340 PolarHBondContact O-OG1 2.94Å
338S49.5Very low53.6Low97 Ų9798.8 Ų98.868%0.67859%0.592SS**THydrogen-bonded Turntrans-62.6-17.5-179.5-66.50000114.3D334 T340D334-S338 WeakPolarHBondContact O-CB 3.48Å; D334-S338 PolarHBondContact O-N 2.87Å; D334-S338 PolarHBondContact O-OG 2.9Å; S338-T340 VanDerWaalsContact C-N 3.29Å
339D40.4Very low51.8Low160 Ų160100.4 Ų100.486%0.85660%0.6SS**THydrogen-bonded Turntrans-84.6-0.8172-117.1-7.3000113.2S337S337-D339 PolarHBondContact O-N 3.46Å; S337-D339 VanDerWaalsContact O-N 3.16Å
340T38.1Very low49.9Very low103 Ų103104.4 Ų104.463%0.63263%0.626SS**SBendtrans-115.6123.6169.332.40000110S337 S338S337-T340 PolarHBondContact O-N 2.81Å; S337-T340 PolarHBondContact O-OG1 2.94Å; S338-T340 VanDerWaalsContact C-N 3.29Å
341A29.2Very low48.3Very low94 Ų94103.7 Ų103.778%0.77764%0.637SS**  trans-55.9148.2-173.400000113.3E343A341-E343 PolarHBondContact O-N 3.41Å
342P49.5Very low46.4Very low127 Ų127104.7 Ų104.783%0.82565%0.652SS**  trans-81.4115.2-164.931.5-35.1000112.9
343E31Very low45.1Very low189 Ų189114 Ų11488%0.88368%0.684SS**  trans-92.4115.4159.1-82.8-79.7128.400108.8A341A341-E343 PolarHBondContact O-N 3.41Å
344S42.3Very low43.8Very low104 Ų104117.8 Ų117.873%0.72770%0.699SS**  trans-74.7131.7179.4129.10000110.8
345T29.4Very low43.2Very low143 Ų143118.3 Ų118.388%0.87772%0.721SS**  trans-164.3143.7136.83.70000113.5
346G29.1Very low42.3Very low69 Ų69121 Ų12171%0.71173%0.732SS**  trans83.8102.5144.600000117.3L348G346-L348 PolarHBondContact O-N 3.34Å
347S41.2Very low42.8Very low103 Ų103122 Ų12272%0.7274%0.742SS**  trans-46.5133.6150.31730000110.9
348L34.8Very low43.3Very low170 Ų170122.2 Ų122.289%0.8975%0.753SS**  trans-129.289.8163.8-137.283000109.8G346G346-L348 PolarHBondContact O-N 3.34Å
349E43.1Very low44.6Very low149 Ų149124.8 Ų124.870%0.69675%0.752SS**  trans-54.2124166-84.6-72.8132.400111.3S351E349-S351 VanDerWaalsContact C-N 3.3Å; E349-S351 PolarHBondContact O-N 3.06Å
350P42Very low46.5Very low102 Ų102118.8 Ų118.866%0.66272%0.723SS**  trans-79.880.1170.232.6-32000110
351S39.3Very low48.3Very low114 Ų114116.2 Ų116.280%0.79771%0.707SS**  trans-64.1136.3170.7-69.60000111.5E349E349-S351 VanDerWaalsContact C-N 3.3Å; E349-S351 PolarHBondContact O-N 3.06Å
352G37Very low50.6Low64 Ų64114.3 Ų114.366%0.6669%0.691SS**  trans130.984.4162.900000116.2Q354G352-Q354 PolarHBondContact O-N 3.37Å; G352-Q354 VanDerWaalsContact O-N 3.1Å
353R49Very low52.4Low236 Ų236112.2 Ų112.289%0.89167%0.672SS**  trans-76.882.3165.8-72.4178.4167.8-129.20.2111.2
354Q43.8Very low55Low175 Ų175104.1 Ų104.182%0.81864%0.636SS**SBendtrans-145.7144.4164.7-138.882.934.800109.9G352 L356G352-Q354 PolarHBondContact O-N 3.37Å; G352-Q354 VanDerWaalsContact O-N 3.1Å; Q354-L356 PolarHBondContact O-N 3.03Å
355G53.7Low56.7Low81 Ų81101 Ų10184%0.83561%0.614SS**  trans-58.9130.4-164.700000114.8
356L55.3Low59.4Low134 Ų13496.8 Ų96.870%0.70259%0.588SS**  trans-120.1151.5-177-75.3167.1000112.3Q354Q354-L356 PolarHBondContact O-N 3.03Å
357T67.9Low62.3Low96 Ų9697 Ų9759%0.58957%0.572SS**  trans-95.9161.7-162.560.90000112.9F359 S360T357-F359 PolarHBondContact O-N 2.96Å; T357-S360 PolarHBondContact O-N 3.46Å; T357-S360 PolarHBondContact O-OG 2.92Å
358G63.9Low64.4Low57 Ų5792.8 Ų92.859%0.58855%0.545SS*.Hα-helixtrans-59.6-15.1-177.600000115.6S360 V361 A362G358-S360 VanDerWaalsContact C-N 3.32Å; G358-S360 PolarHBondContact O-N 3.41Å; G358-V361 PolarHBondContact O-N 2.87Å; G358-A362 PolarHBondContact O-N 2.88Å
359F75.5Confident66.9Low151 Ų15190.8 Ų90.866%0.66253%0.525SS*.Hα-helixtrans-60.1-39.9171.8179-99.3000112.2T357 V361 A362 L363T357-F359 PolarHBondContact O-N 2.96Å; F359-V361 PolarHBondContact O-N 3.35Å; F359-A362 PolarHBondContact O-N 2.97Å; F359-L363 PolarHBondContact O-N 3.15Å
360S81.8Confident69.3Low33 Ų3388.8 Ų88.823%0.23152%0.519CS..Hα-helixtrans-62.5-42.7179-42.90000111.7T357 G358 L363 V364T357-S360 PolarHBondContact O-N 3.46Å; T357-S360 PolarHBondContact O-OG 2.92Å; G358-S360 VanDerWaalsContact C-N 3.32Å; G358-S360 PolarHBondContact O-N 3.41Å; S360-L363 PolarHBondContact O-N 3.07Å; S360-V364 PolarHBondContact O-N 2.85Å; S360-V364 VanDerWaalsContact O-N 3.1Å
361V75.7Confident71.7Confident50 Ų5084.8 Ų84.830%0.30349%0.493SS..Hα-helixtrans-64.3-44.9176.3-171.80000110.2L322 M325 G358 F359 L363 V364 S365L322-V361 HydrophobicContact CD1-CB 4.45Å; L322-V361 HydrophobicContact CD1-CG2 3.6Å; L322-V361 HydrophobicContact CG-CG2 3.97Å; M325-V361 HydrophobicContact SD-CG1 4.38Å; G358-V361 PolarHBondContact O-N 2.87Å; F359-V361 PolarHBondContact O-N 3.35Å; V361-L363 VanDerWaalsContact C-N 3.34Å; V361-L363 PolarHBondContact O-N 3.38Å; V361-V364 PolarHBondContact O-N 3.2Å; V361-S365 VanDerWaalsContact O-CB 3.24Å; V361-S365 WeakPolarHBondContact O-CB 3.49Å; V361-S365 PolarHBondContact O-N 3.08Å
362A76.7Confident74Confident53 Ų5385.8 Ų85.844%0.43849%0.485SS..Hα-helixtrans-61.8-40.2177.700000112.1G358 F359 S365 T366G358-A362 PolarHBondContact O-N 2.88Å; F359-A362 PolarHBondContact O-N 2.97Å; A362-S365 WeakPolarHBondContact O-CB 3.42Å; A362-S365 PolarHBondContact O-N 2.93Å; A362-T366 WeakPolarHBondContact O-CG2 3.34Å; A362-T366 PolarHBondContact O-N 2.93Å; A362-T366 PolarHBondContact O-OG1 2.83Å
363L86.8Confident76.7Confident84 Ų8488.2 Ų88.244%0.4448%0.482SS..Hα-helixtrans-63.7-52.2176.9-177.262.6000111.6F359 S360 V361 S365 T366 I367F359-L363 PolarHBondContact O-N 3.15Å; S360-L363 PolarHBondContact O-N 3.07Å; V361-L363 VanDerWaalsContact C-N 3.34Å; V361-L363 PolarHBondContact O-N 3.38Å; L363-S365 PolarHBondContact O-N 3.48Å; L363-T366 WeakPolarHBondContact CA-OG1 3.45Å; L363-T366 PolarHBondContact O-N 3.32Å; L363-T366 PolarHBondContact O-OG1 3.26Å; L363-I367 HydrophobicContact CD1-CD1 4.22Å; L363-I367 HydrophobicContact CD1-CG1 4.49Å; L363-I367 HydrophobicContact CG-CD1 4Å; L363-I367 WeakPolarHBondContact O-CG1 3.4Å; L363-I367 PolarHBondContact O-N 2.87Å
364V85.5Confident78.8Confident19 Ų1982.1 Ų82.112%0.11547%0.466CS..Hα-helixtrans-59-39176.61750000111L322 M325 L326 V329 S360 V361 T366 I367 G368L322-V364 HydrophobicContact CD2-CB 3.95Å; L322-V364 HydrophobicContact CD2-CG1 4.3Å; L322-V364 HydrophobicContact CD2-CG2 3.62Å; M325-V364 HydrophobicContact CB-CG1 4.05Å; L326-V364 HydrophobicContact CB-CG1 4.49Å; L326-V364 HydrophobicContact CD1-CG2 4.41Å; V329-V364 HydrophobicContact CG2-CG1 4.31Å; S360-V364 PolarHBondContact O-N 2.85Å; S360-V364 VanDerWaalsContact O-N 3.1Å; V361-V364 PolarHBondContact O-N 3.2Å; V364-T366 PolarHBondContact O-N 2.93Å; V364-I367 PolarHBondContact O-N 3.45Å; V364-G368 PolarHBondContact O-N 3.3Å
365S79.1Confident81.1Confident37 Ų3779.2 Ų79.226%0.25945%0.448SS..Hα-helixtrans-62.9-39.1173.6-170.40000113.3V361 A362 L363 R369V361-S365 VanDerWaalsContact O-CB 3.24Å; V361-S365 WeakPolarHBondContact O-CB 3.49Å; V361-S365 PolarHBondContact O-N 3.08Å; A362-S365 WeakPolarHBondContact O-CB 3.42Å; A362-S365 PolarHBondContact O-N 2.93Å; L363-S365 PolarHBondContact O-N 3.48Å; S365-R369 PolarHBondContact O-N 2.86Å; S365-R369 VanDerWaalsContact O-N 3.14Å; S365-R369 PolarHBondContact O-NH1 3.44Å; S365-R369 PolarHBondContact OG-NH1 3Å
366T85.9Confident83Confident56 Ų5681.4 Ų81.434%0.34443%0.434SS..Hα-helixtrans-67.9-39.8173.455.70000112.7A362 L363 V364 R369 L370A362-T366 WeakPolarHBondContact O-CG2 3.34Å; A362-T366 PolarHBondContact O-N 2.93Å; A362-T366 PolarHBondContact O-OG1 2.83Å; L363-T366 WeakPolarHBondContact CA-OG1 3.45Å; L363-T366 PolarHBondContact O-N 3.32Å; L363-T366 PolarHBondContact O-OG1 3.26Å; V364-T366 PolarHBondContact O-N 2.93Å; T366-R369 VanDerWaalsContact CG2-NH2 3.27Å; T366-R369 PolarHBondContact O-N 3.42Å; T366-L370 WeakPolarHBondContact O-CG 3.45Å; T366-L370 PolarHBondContact O-N 2.9Å
367I89.3Confident85Confident74 Ų7483.8 Ų83.838%0.37943%0.434SS..Hα-helixtrans-65.7-44.7178.5-64.5167.3000109.8V329 L363 V364 R369 L370 V371V329-I367 HydrophobicContact CG1-CG2 3.81Å; L363-I367 HydrophobicContact CD1-CD1 4.22Å; L363-I367 HydrophobicContact CD1-CG1 4.49Å; L363-I367 HydrophobicContact CG-CD1 4Å; L363-I367 WeakPolarHBondContact O-CG1 3.4Å; L363-I367 PolarHBondContact O-N 2.87Å; V364-I367 PolarHBondContact O-N 3.45Å; I367-R369 PolarHBondContact O-N 2.84Å; I367-L370 WeakPolarHBondContact O-CB 3.46Å; I367-L370 PolarHBondContact O-N 3.32Å; I367-L370 VanDerWaalsContact O-N 3.09Å; I367-V371 HydrophobicContact CG2-CG2 4.4Å; I367-V371 WeakPolarHBondContact O-CG2 3.4Å; I367-V371 PolarHBondContact O-N 3.15Å
368G86Confident86.2Confident14 Ų1483.4 Ų83.414%0.14443%0.426CS..Hα-helixtrans-58.3-43.2174.300000113.2V364 L370 V371 Q372V364-G368 PolarHBondContact O-N 3.3Å; G368-L370 VanDerWaalsContact C-N 3.34Å; G368-L370 PolarHBondContact O-N 3.02Å; G368-V371 PolarHBondContact O-N 3.46Å; G368-Q372 WeakPolarHBondContact O-CB 3.49Å; G368-Q372 PolarHBondContact O-N 2.94Å
369R87.1Confident87.7Confident127 Ų12782.7 Ų82.748%0.47941%0.414SS..Hα-helixtrans-60.6-40.3172.8-76.7-169-66.9-80.31112.7S365 T366 I367 Q372 L373S365-R369 PolarHBondContact O-N 2.86Å; S365-R369 VanDerWaalsContact O-N 3.14Å; S365-R369 PolarHBondContact O-NH1 3.44Å; S365-R369 PolarHBondContact OG-NH1 3Å; T366-R369 VanDerWaalsContact CG2-NH2 3.27Å; T366-R369 PolarHBondContact O-N 3.42Å; I367-R369 PolarHBondContact O-N 2.84Å; R369-Q372 PolarHBondContact O-N 3.18Å; R369-L373 WeakPolarHBondContact O-CB 3.46Å; R369-L373 VanDerWaalsContact O-CG 3.29Å; R369-L373 WeakPolarHBondContact O-CG 3.36Å; R369-L373 PolarHBondContact O-N 3.4Å
370L93.8Very high88.7Confident107 Ų10780.4 Ų80.456%0.5641%0.406SS*.Hα-helixtrans-66.4-44.9177-71.6170.2000111.7T366 I367 G368 Q372 L373 L374T366-L370 WeakPolarHBondContact O-CG 3.45Å; T366-L370 PolarHBondContact O-N 2.9Å; I367-L370 WeakPolarHBondContact O-CB 3.46Å; I367-L370 PolarHBondContact O-N 3.32Å; I367-L370 VanDerWaalsContact O-N 3.09Å; G368-L370 VanDerWaalsContact C-N 3.34Å; G368-L370 PolarHBondContact O-N 3.02Å; L370-Q372 VanDerWaalsContact C-N 3.33Å; L370-Q372 PolarHBondContact O-N 2.82Å; L370-L373 PolarHBondContact O-N 3.28Å; L370-L374 WeakPolarHBondContact O-CB 3.4Å; L370-L374 VanDerWaalsContact O-CG 3.3Å; L370-L374 WeakPolarHBondContact O-CG 3.28Å; L370-L374 PolarHBondContact O-N 3.13Å
371V91.4Very high89.4Confident19 Ų1980.9 Ų80.912%0.11541%0.412CS..Hα-helixtrans-60.6-42.6175.8173.80000110.9V329 D332 I367 G368 L374 R375V329-V371 HydrophobicContact CG1-CG2 4.46Å; D332-V371 HydrophobicContact CB-CG1 3.74Å; I367-V371 HydrophobicContact CG2-CG2 4.4Å; I367-V371 WeakPolarHBondContact O-CG2 3.4Å; I367-V371 PolarHBondContact O-N 3.15Å; G368-V371 PolarHBondContact O-N 3.46Å; V371-L374 PolarHBondContact O-N 3.21Å; V371-R375 WeakPolarHBondContact O-CB 3.1Å; V371-R375 PolarHBondContact O-N 2.62Å
372Q88.8Confident90.4Very high135 Ų13583.5 Ų83.563%0.63142%0.42SS*.Hα-helixtrans-65.7-38.9177.3-164.6179.428.500112.8G368 R369 L370 R375 K376G368-Q372 WeakPolarHBondContact O-CB 3.49Å; G368-Q372 PolarHBondContact O-N 2.94Å; R369-Q372 PolarHBondContact O-N 3.18Å; L370-Q372 VanDerWaalsContact C-N 3.33Å; L370-Q372 PolarHBondContact O-N 2.82Å; Q372-R375 PolarHBondContact O-N 3.1Å; Q372-K376 WeakPolarHBondContact O-CB 3.4Å; Q372-K376 PolarHBondContact O-N 2.98Å
373L93.3Very high91.3Very high115 Ų11587.1 Ų87.160%0.60243%0.426SS*.Hα-helixtrans-66.9-38.9173.8-73.6171.8000112.2R369 L370 K376 R377R369-L373 WeakPolarHBondContact O-CB 3.46Å; R369-L373 VanDerWaalsContact O-CG 3.29Å; R369-L373 WeakPolarHBondContact O-CG 3.36Å; R369-L373 PolarHBondContact O-N 3.4Å; L370-L373 PolarHBondContact O-N 3.28Å; L373-K376 PolarHBondContact O-N 3.04Å; L373-R377 WeakPolarHBondContact O-CB 3.18Å; L373-R377 PolarHBondContact O-N 2.78Å
374L94.1Very high91.8Very high107 Ų10787.6 Ų87.656%0.5643%0.426SS*.Hα-helixtrans-64.1-46.7173.6-71.2171.2000111.1L370 V371 K376 R377 E378L370-L374 WeakPolarHBondContact O-CB 3.4Å; L370-L374 VanDerWaalsContact O-CG 3.3Å; L370-L374 WeakPolarHBondContact O-CG 3.28Å; L370-L374 PolarHBondContact O-N 3.13Å; V371-L374 PolarHBondContact O-N 3.21Å; L374-K376 VanDerWaalsContact C-N 3.32Å; L374-K376 PolarHBondContact O-N 3.32Å; L374-R377 PolarHBondContact O-N 3.41Å; L374-E378 WeakPolarHBondContact O-CB 3.34Å; L374-E378 PolarHBondContact O-N 3.26Å
375R90.6Very high92.4Very high115 Ų11589.3 Ų89.343%0.43444%0.442SS..Hα-helixtrans-58.6-42.3175.4-169.1-170.3-171.21038.6112.1T335 M336 V371 Q372 E378 A379T335-R375 PolarHBondContact OG1-NH1 2.88Å; M336-R375 HydrophobicContact SD-CG 4.42Å; V371-R375 WeakPolarHBondContact O-CB 3.1Å; V371-R375 PolarHBondContact O-N 2.62Å; Q372-R375 PolarHBondContact O-N 3.1Å; R375-E378 PolarHBondContact O-N 2.92Å; R375-A379 WeakPolarHBondContact O-CB 3.24Å; R375-A379 PolarHBondContact O-N 3.43Å
376K95.3Very high93.3Very high126 Ų12692.5 Ų92.555%0.54845%0.453SS..Hα-helixtrans-61.5-48.3175.6179.1177.6169.9179.90111.1Q372 L373 L374 E378 A379 E380Q372-K376 WeakPolarHBondContact O-CB 3.4Å; Q372-K376 PolarHBondContact O-N 2.98Å; L373-K376 PolarHBondContact O-N 3.04Å; L374-K376 VanDerWaalsContact C-N 3.32Å; L374-K376 PolarHBondContact O-N 3.32Å; K376-E378 VanDerWaalsContact C-N 3.33Å; K376-E378 PolarHBondContact O-N 3.08Å; K376-A379 PolarHBondContact O-N 2.93Å; K376-E380 WeakPolarHBondContact CE-OE1 3.35Å; K376-E380 IonicContact NZ-OE1 3.59Å; K376-E380 WeakPolarHBondContact O-CG 3.38Å; K376-E380 PolarHBondContact O-N 3.34Å
377R95.9Very high93.9Very high185 Ų18596 Ų9670%0.69847%0.466SS*.Hα-helixtrans-62.4-39.5178.2-172.8-172.1178.7-153.3-2.3112.1L373 L374 E380 A381L373-R377 WeakPolarHBondContact O-CB 3.18Å; L373-R377 PolarHBondContact O-N 2.78Å; L374-R377 PolarHBondContact O-N 3.41Å; R377-E380 PolarHBondContact O-N 3.01Å; R377-A381 WeakPolarHBondContact O-CB 3.49Å; R377-A381 PolarHBondContact O-N 3.09Å
378E94.6Very high94.3Very high88 Ų8899.8 Ų99.841%0.41148%0.475SS..Hα-helixtrans-64.8-45.9177.5-169.258.2-141.800111.1M336 L374 R375 K376 E380 A381 Q382M336-E378 HydrophobicContact CE-CB 4.35Å; M336-E378 HydrophobicContact CE-CG 4.17Å; L374-E378 WeakPolarHBondContact O-CB 3.34Å; L374-E378 PolarHBondContact O-N 3.26Å; R375-E378 PolarHBondContact O-N 2.92Å; K376-E378 VanDerWaalsContact C-N 3.33Å; K376-E378 PolarHBondContact O-N 3.08Å; E378-E380 VanDerWaalsContact C-N 3.27Å; E378-E380 PolarHBondContact O-N 3.39Å; E378-A381 PolarHBondContact O-N 3.17Å; E378-A381 VanDerWaalsContact O-N 3.15Å; E378-Q382 WeakPolarHBondContact O-CG 3.36Å; E378-Q382 PolarHBondContact O-N 3.16Å
379A94.3Very high94.8Very high42 Ų42105.1 Ų105.135%0.34749%0.491SS..Hα-helixtrans-64.1-29.8175.300000113.3R375 K376 K383R375-A379 WeakPolarHBondContact O-CB 3.24Å; R375-A379 PolarHBondContact O-N 3.43Å; K376-A379 PolarHBondContact O-N 2.93Å; A379-K383 VanDerWaalsContact O-CG 3.32Å; A379-K383 WeakPolarHBondContact O-CG 3.27Å; A379-K383 PolarHBondContact O-N 2.83Å
380E96.8Very high95.4Very high103 Ų103106.5 Ų106.548%0.48150%0.496SS..Hα-helixtrans-71.2-43.5171-73.9168.5178.100111.3K376 R377 E378 Q382 K383 E384K376-E380 WeakPolarHBondContact CE-OE1 3.35Å; K376-E380 IonicContact NZ-OE1 3.59Å; K376-E380 WeakPolarHBondContact O-CG 3.38Å; K376-E380 PolarHBondContact O-N 3.34Å; R377-E380 PolarHBondContact O-N 3.01Å; E378-E380 VanDerWaalsContact C-N 3.27Å; E378-E380 PolarHBondContact O-N 3.39Å; E380-Q382 PolarHBondContact O-N 3.26Å; E380-K383 PolarHBondContact O-N 2.89Å; E380-E384 PolarHBondContact O-N 2.85Å
381A96.4Very high95.6Very high43 Ų43106 Ų10636%0.35549%0.494SS..Hα-helixtrans-65.1-37.5177.200000112.9R377 E378 E384 A385R377-A381 WeakPolarHBondContact O-CB 3.49Å; R377-A381 PolarHBondContact O-N 3.09Å; E378-A381 PolarHBondContact O-N 3.17Å; E378-A381 VanDerWaalsContact O-N 3.15Å; A381-E384 PolarHBondContact O-N 3.4Å; A381-A385 WeakPolarHBondContact O-CB 3.25Å; A381-A385 PolarHBondContact O-N 2.88Å
382Q96.3Very high95.9Very high104 Ų104110.5 Ų110.549%0.48651%0.513SS..Hα-helixtrans-62.5-46.5174-73.4175.9-0.400111.3E378 E380 E384 A385 E386E378-Q382 WeakPolarHBondContact O-CG 3.36Å; E378-Q382 PolarHBondContact O-N 3.16Å; E380-Q382 PolarHBondContact O-N 3.26Å; Q382-E384 PolarHBondContact O-N 2.87Å; Q382-A385 WeakPolarHBondContact O-CB 3.5Å; Q382-A385 PolarHBondContact O-N 3.36Å; Q382-A385 VanDerWaalsContact O-N 3.17Å; Q382-E386 WeakPolarHBondContact O-CG 3.48Å; Q382-E386 PolarHBondContact O-N 3.07Å
383K96.8Very high96.4Very high130 Ų130108.3 Ų108.357%0.56550%0.503SS*.Hα-helixtrans-61.5-44.1175.2-71.4172-176.8-178.70112.2A379 E380 A385 E386 E387A379-K383 VanDerWaalsContact O-CG 3.32Å; A379-K383 WeakPolarHBondContact O-CG 3.27Å; A379-K383 PolarHBondContact O-N 2.83Å; E380-K383 PolarHBondContact O-N 2.89Å; K383-A385 VanDerWaalsContact C-N 3.27Å; K383-A385 PolarHBondContact O-N 2.98Å; K383-E386 PolarHBondContact O-N 3.35Å; K383-E387 WeakPolarHBondContact O-CG 3.42Å; K383-E387 PolarHBondContact O-N 3.36Å
384E97.4Very high96.6Very high93 Ų93105.7 Ų105.744%0.43549%0.488SS..Hα-helixtrans-60.5-38.1175.1-170.5-175.1-176.100111.5E380 A381 Q382 R388E380-E384 PolarHBondContact O-N 2.85Å; A381-E384 PolarHBondContact O-N 3.4Å; Q382-E384 PolarHBondContact O-N 2.87Å; E384-R388 VanDerWaalsContact O-CB 3.32Å; E384-R388 WeakPolarHBondContact O-CB 3.47Å; E384-R388 WeakPolarHBondContact O-CG 3.47Å; E384-R388 PolarHBondContact O-N 3.31Å; E384-R388 IonicContact OE1-CZ 3.46Å; E384-R388 IonicContact OE1-NE 2.77Å; E384-R388 PolarHBondContact OE1-NE 3.46Å; E384-R388 IonicContact OE1-NH2 3.91Å; E384-R388 PolarHBondContact OE1-NH2 3.03Å; E384-R388 IonicContact OE2-NH2 3.8Å
385A97.6Very high96.8Very high55 Ų55105.9 Ų105.946%0.45549%0.489SS..Hα-helixtrans-67.1-37.5175.400000112.7A381 Q382 K383 R389A381-A385 WeakPolarHBondContact O-CB 3.25Å; A381-A385 PolarHBondContact O-N 2.88Å; Q382-A385 WeakPolarHBondContact O-CB 3.5Å; Q382-A385 PolarHBondContact O-N 3.36Å; Q382-A385 VanDerWaalsContact O-N 3.17Å; K383-A385 VanDerWaalsContact C-N 3.27Å; K383-A385 PolarHBondContact O-N 2.98Å; A385-R389 WeakPolarHBondContact O-CB 3.43Å; A385-R389 PolarHBondContact O-N 2.98Å
386E97.6Very high97.2Very high104 Ų104106.1 Ų106.149%0.48649%0.493SS..Hα-helixtrans-67.5-43.2173.8-67.4-170.5137.800112.4Q382 K383 R389 R390Q382-E386 WeakPolarHBondContact O-CG 3.48Å; Q382-E386 PolarHBondContact O-N 3.07Å; K383-E386 PolarHBondContact O-N 3.35Å; E386-R389 WeakPolarHBondContact O-CB 3.48Å; E386-R389 PolarHBondContact O-N 2.92Å; E386-R389 IonicContact OE1-NH2 2.61Å; E386-R390 PolarHBondContact O-N 3.35Å
387E97.8Very high97.3Very high130 Ų130106.9 Ų106.961%0.60750%0.498SS*.Hα-helixtrans-62.3-43.4174.1-72.7179.8-179.900111.3K383 R389 R390 L391K383-E387 WeakPolarHBondContact O-CG 3.42Å; K383-E387 PolarHBondContact O-N 3.36Å; E387-R389 PolarHBondContact O-N 2.91Å; E387-R390 PolarHBondContact O-N 3.13Å; E387-L391 WeakPolarHBondContact O-CG 3.43Å; E387-L391 PolarHBondContact O-N 3.25Å
388R97.8Very high97.4Very high153 Ų153103.3 Ų103.358%0.57749%0.49SS*.Hα-helixtrans-61.3-41173.4-76.1170177.3-176.9-0112.3E384 Q392E384-R388 VanDerWaalsContact O-CB 3.32Å; E384-R388 WeakPolarHBondContact O-CB 3.47Å; E384-R388 WeakPolarHBondContact O-CG 3.47Å; E384-R388 PolarHBondContact O-N 3.31Å; E384-R388 IonicContact OE1-CZ 3.46Å; E384-R388 IonicContact OE1-NE 2.77Å; E384-R388 PolarHBondContact OE1-NE 3.46Å; E384-R388 IonicContact OE1-NH2 3.91Å; E384-R388 PolarHBondContact OE1-NH2 3.03Å; E384-R388 IonicContact OE2-NH2 3.8Å; R388-Q392 WeakPolarHBondContact O-CB 3.49Å; R388-Q392 PolarHBondContact O-N 2.71Å
389R98Very high97.6Very high126 Ų126106.5 Ų106.548%0.47550%0.498SS..Hα-helixtrans-61.4-48.1175.1-178-176.568.1-127.4-4110.7A385 E386 E387 Q392 E393A385-R389 WeakPolarHBondContact O-CB 3.43Å; A385-R389 PolarHBondContact O-N 2.98Å; E386-R389 WeakPolarHBondContact O-CB 3.48Å; E386-R389 PolarHBondContact O-N 2.92Å; E386-R389 IonicContact OE1-NH2 2.61Å; E387-R389 PolarHBondContact O-N 2.91Å; R389-Q392 WeakPolarHBondContact O-CB 3.4Å; R389-Q392 PolarHBondContact O-N 3.37Å; R389-E393 WeakPolarHBondContact CG-OE1 3.41Å; R389-E393 WeakPolarHBondContact O-CG 3.41Å; R389-E393 PolarHBondContact O-N 2.9Å
390R98.4Very high97.8Very high157 Ų157106.3 Ų106.359%0.59250%0.5SS*.Hα-helixtrans-58.9-49.3177-179.7-171.3157.8-163.9-10.7111.7E386 E387 Q392 E393 E394E386-R390 PolarHBondContact O-N 3.35Å; E387-R390 PolarHBondContact O-N 3.13Å; R390-Q392 VanDerWaalsContact C-N 3.25Å; R390-Q392 PolarHBondContact O-N 2.8Å; R390-E393 WeakPolarHBondContact O-CA 3.42Å; R390-E393 WeakPolarHBondContact O-CB 3.41Å; R390-E393 PolarHBondContact O-N 2.71Å; R390-E394 IonicContact CZ-OE1 3.41Å; R390-E394 IonicContact NE-OE1 3.56Å; R390-E394 PolarHBondContact NE-OE1 3.01Å; R390-E394 IonicContact NH2-OE1 2.69Å; R390-E394 PolarHBondContact NH2-OE1 2.89Å; R390-E394 PolarHBondContact O-N 3.3Å
391L98.3Very high97.9Very high97 Ų97106.6 Ų106.651%0.50851%0.505SS..Hα-helixtrans-61.9-34.8177.1-70.2171.7000111.8E387 E393 E394 L395E387-L391 WeakPolarHBondContact O-CG 3.43Å; E387-L391 PolarHBondContact O-N 3.25Å; L391-E393 VanDerWaalsContact C-N 3.34Å; L391-E394 PolarHBondContact O-N 3.49Å; L391-L395 WeakPolarHBondContact O-CB 3.24Å; L391-L395 VanDerWaalsContact O-CG 3.27Å; L391-L395 WeakPolarHBondContact O-CG 3.34Å; L391-L395 PolarHBondContact O-N 3.06Å
392Q98.3Very high98Very high112 Ų112109.4 Ų109.452%0.52351%0.512SS..Hα-helixtrans-68.3-32.2174.1-165-171.618.800112.5R388 R389 R390 K396R388-Q392 WeakPolarHBondContact O-CB 3.49Å; R388-Q392 PolarHBondContact O-N 2.71Å; R389-Q392 WeakPolarHBondContact O-CB 3.4Å; R389-Q392 PolarHBondContact O-N 3.37Å; R390-Q392 VanDerWaalsContact C-N 3.25Å; R390-Q392 PolarHBondContact O-N 2.8Å; Q392-K396 WeakPolarHBondContact O-CD 3.08Å; Q392-K396 VanDerWaalsContact O-CG 3.25Å; Q392-K396 WeakPolarHBondContact O-CG 3.1Å; Q392-K396 PolarHBondContact O-N 3.24Å; Q392-K396 VanDerWaalsContact O-N 3.13Å
393E98.1Very high98.1Very high89 Ų89109 Ų10942%0.41651%0.513SS..Hα-helixtrans-69-48.8172.4-72.7160.7-17400110.8R389 R390 L391 L395 K396 E397R389-E393 WeakPolarHBondContact CG-OE1 3.41Å; R389-E393 WeakPolarHBondContact O-CG 3.41Å; R389-E393 PolarHBondContact O-N 2.9Å; R390-E393 WeakPolarHBondContact O-CA 3.42Å; R390-E393 WeakPolarHBondContact O-CB 3.41Å; R390-E393 PolarHBondContact O-N 2.71Å; L391-E393 VanDerWaalsContact C-N 3.34Å; E393-L395 VanDerWaalsContact C-N 3.29Å; E393-L395 PolarHBondContact O-N 3.22Å; E393-K396 WeakPolarHBondContact O-CA 3.21Å; E393-K396 WeakPolarHBondContact O-CB 3.43Å; E393-K396 PolarHBondContact O-N 3.5Å; E393-E397 PolarHBondContact O-N 2.92Å
394E98.4Very high98.2Very high61 Ų61105.4 Ų105.429%0.28551%0.508SS..Hα-helixtrans-57.3-39.5174.4-68.4175.9-173.200112R390 L391 E397 Q398R390-E394 IonicContact CZ-OE1 3.41Å; R390-E394 IonicContact NE-OE1 3.56Å; R390-E394 PolarHBondContact NE-OE1 3.01Å; R390-E394 IonicContact NH2-OE1 2.69Å; R390-E394 PolarHBondContact NH2-OE1 2.89Å; R390-E394 PolarHBondContact O-N 3.3Å; L391-E394 PolarHBondContact O-N 3.49Å; E394-E397 PolarHBondContact O-N 3.42Å; E394-Q398 WeakPolarHBondContact O-CG 3.37Å; E394-Q398 PolarHBondContact O-N 3.12Å
395L98.6Very high98.3Very high110 Ų110105.1 Ų105.158%0.57651%0.508SS*.Hα-helixtrans-67.8-31173.8-74173.4000113.7L391 E393 R399L391-L395 WeakPolarHBondContact O-CB 3.24Å; L391-L395 VanDerWaalsContact O-CG 3.27Å; L391-L395 WeakPolarHBondContact O-CG 3.34Å; L391-L395 PolarHBondContact O-N 3.06Å; E393-L395 VanDerWaalsContact C-N 3.29Å; E393-L395 PolarHBondContact O-N 3.22Å; L395-R399 WeakPolarHBondContact O-CB 3.34Å; L395-R399 PolarHBondContact O-N 2.79Å; L395-R399 VanDerWaalsContact O-N 3.08Å
396K98.3Very high98.3Very high120 Ų120106.5 Ų106.552%0.52251%0.511SS..Hα-helixtrans-71.2-40172.9-73.1162.4-174.7164.80110.8Q392 E393 R399 G400Q392-K396 WeakPolarHBondContact O-CD 3.08Å; Q392-K396 VanDerWaalsContact O-CG 3.25Å; Q392-K396 WeakPolarHBondContact O-CG 3.1Å; Q392-K396 PolarHBondContact O-N 3.24Å; Q392-K396 VanDerWaalsContact O-N 3.13Å; E393-K396 WeakPolarHBondContact O-CA 3.21Å; E393-K396 WeakPolarHBondContact O-CB 3.43Å; E393-K396 PolarHBondContact O-N 3.5Å; K396-R399 PolarHBondContact O-N 2.86Å; K396-G400 PolarHBondContact O-N 3.37Å
397E98.3Very high98.4Very high142 Ų142104.3 Ų104.366%0.66451%0.511SS*.Hα-helixtrans-63-46.1174.4-68.9179.5175.100111.4E393 E394 R399 G400 L401E393-E397 PolarHBondContact O-N 2.92Å; E394-E397 PolarHBondContact O-N 3.42Å; E397-R399 VanDerWaalsContact C-N 3.3Å; E397-R399 PolarHBondContact O-N 2.6Å; E397-G400 PolarHBondContact O-N 3.05Å; E397-G400 VanDerWaalsContact O-N 3.15Å; E397-L401 PolarHBondContact O-N 3.06Å
398Q98.4Very high98.4Very high110 Ų110103.3 Ų103.351%0.51451%0.506SS..Hα-helixtrans-58.8-39.9173.8-74.1177.35.500112.2E394 L401 M402E394-Q398 WeakPolarHBondContact O-CG 3.37Å; E394-Q398 PolarHBondContact O-N 3.12Å; Q398-L401 PolarHBondContact O-N 2.87Å; Q398-M402 WeakPolarHBondContact O-CG 3.5Å; Q398-M402 PolarHBondContact O-N 3.18Å
399R98.4Very high98.4Very high155 Ų15598.8 Ų98.859%0.58550%0.496SS*.Hα-helixtrans-63.7-46.5173.2-179.9171.1-67.5-81.2-1.6111.9L395 K396 E397 L401 M402 D403L395-R399 WeakPolarHBondContact O-CB 3.34Å; L395-R399 PolarHBondContact O-N 2.79Å; L395-R399 VanDerWaalsContact O-N 3.08Å; K396-R399 PolarHBondContact O-N 2.86Å; E397-R399 VanDerWaalsContact C-N 3.3Å; E397-R399 PolarHBondContact O-N 2.6Å; R399-L401 VanDerWaalsContact C-N 3.28Å; R399-L401 PolarHBondContact O-N 3.46Å; R399-M402 HydrophobicContact CB-CE 4.42Å; R399-M402 PolarHBondContact O-N 2.77Å; R399-M402 VanDerWaalsContact O-N 3.16Å; R399-D403 VanDerWaalsContact O-CG 3.24Å; R399-D403 PolarHBondContact O-N 2.9Å
400G98.4Very high98.4Very high39 Ų3997.1 Ų97.140%0.40250%0.495SS..Hα-helixtrans-58.9-38.5175.600000113K396 E397 D403 A404K396-G400 PolarHBondContact O-N 3.37Å; E397-G400 PolarHBondContact O-N 3.05Å; E397-G400 VanDerWaalsContact O-N 3.15Å; G400-D403 PolarHBondContact O-N 2.69Å; G400-A404 WeakPolarHBondContact O-CB 3.31Å; G400-A404 PolarHBondContact O-N 3.5Å
401L98.8Very high98.4Very high109 Ų10992.8 Ų92.857%0.57149%0.486SS*.Hα-helixtrans-66.8-43.4173.9-178.563.7000112.1E397 Q398 R399 D403 A404 L405E397-L401 PolarHBondContact O-N 3.06Å; Q398-L401 PolarHBondContact O-N 2.87Å; R399-L401 VanDerWaalsContact C-N 3.28Å; R399-L401 PolarHBondContact O-N 3.46Å; L401-D403 VanDerWaalsContact C-N 3.35Å; L401-A404 PolarHBondContact O-N 2.79Å; L401-L405 HydrophobicContact CD1-CD1 4.27Å; L401-L405 HydrophobicContact CD1-CG 4.31Å; L401-L405 HydrophobicContact CG-CD1 4.06Å; L401-L405 WeakPolarHBondContact O-CB 3.2Å; L401-L405 WeakPolarHBondContact O-CG 3.43Å; L401-L405 PolarHBondContact O-N 2.58Å
402M98.8Very high98.4Very high102 Ų10292.8 Ų92.850%0.50249%0.486SS..Hα-helixtrans-61.6-42.5174.4-74.8-172-64.400111.9Q398 R399 T406Q398-M402 WeakPolarHBondContact O-CG 3.5Å; Q398-M402 PolarHBondContact O-N 3.18Å; R399-M402 HydrophobicContact CB-CE 4.42Å; R399-M402 PolarHBondContact O-N 2.77Å; R399-M402 VanDerWaalsContact O-N 3.16Å; M402-T406 VanDerWaalsContact O-CB 3.25Å; M402-T406 WeakPolarHBondContact O-CB 3.48Å; M402-T406 PolarHBondContact O-N 2.91Å; M402-T406 PolarHBondContact O-OG1 2.9Å
403D98.7Very high98.4Very high95 Ų9594.8 Ų94.851%0.50849%0.488SS..Hα-helixtrans-66.4-39.9178.9-65.2-23000110.8R399 G400 L401 T406 A407R399-D403 VanDerWaalsContact O-CG 3.24Å; R399-D403 PolarHBondContact O-N 2.9Å; G400-D403 PolarHBondContact O-N 2.69Å; L401-D403 VanDerWaalsContact C-N 3.35Å; D403-T406 PolarHBondContact O-N 2.9Å; D403-A407 PolarHBondContact O-N 2.63Å
404A98.6Very high98.4Very high55 Ų5597 Ų9746%0.45550%0.498SS..Hα-helixtrans-65.1-48.1174.400000112.8G400 L401 T406 A407 E408G400-A404 WeakPolarHBondContact O-CB 3.31Å; G400-A404 PolarHBondContact O-N 3.5Å; L401-A404 PolarHBondContact O-N 2.79Å; A404-T406 VanDerWaalsContact C-N 3.26Å; A404-T406 PolarHBondContact O-N 3.29Å; A404-A407 WeakPolarHBondContact O-CB 3.12Å; A404-A407 PolarHBondContact O-N 3.06Å; A404-E408 PolarHBondContact O-N 3.18Å
405L98.6Very high98.4Very high86 Ų8699.6 Ų99.645%0.4551%0.511SS..Hα-helixtrans-62.1-35.6174.5-73.5170.8000111.6L401 E408 T409L401-L405 HydrophobicContact CD1-CD1 4.27Å; L401-L405 HydrophobicContact CD1-CG 4.31Å; L401-L405 HydrophobicContact CG-CD1 4.06Å; L401-L405 WeakPolarHBondContact O-CB 3.2Å; L401-L405 WeakPolarHBondContact O-CG 3.43Å; L401-L405 PolarHBondContact O-N 2.58Å; L405-E408 PolarHBondContact O-N 3.46Å; L405-T409 WeakPolarHBondContact O-CB 3.31Å; L405-T409 PolarHBondContact O-N 2.8Å; L405-T409 PolarHBondContact O-OG1 3.35Å
406T98.6Very high98.3Very high85 Ų8596 Ų9652%0.52150%0.501SS..Hα-helixtrans-65-44.2175.3-61.20000110.7M402 D403 A404 T409 M410M402-T406 VanDerWaalsContact O-CB 3.25Å; M402-T406 WeakPolarHBondContact O-CB 3.48Å; M402-T406 PolarHBondContact O-N 2.91Å; M402-T406 PolarHBondContact O-OG1 2.9Å; D403-T406 PolarHBondContact O-N 2.9Å; A404-T406 VanDerWaalsContact C-N 3.26Å; A404-T406 PolarHBondContact O-N 3.29Å; T406-T409 PolarHBondContact O-N 2.86Å; T406-M410 VanDerWaalsContact O-CG 3.23Å; T406-M410 WeakPolarHBondContact O-CG 3.3Å; T406-M410 PolarHBondContact O-N 3.45Å
407A98.4Very high98.3Very high57 Ų5792.5 Ų92.547%0.47149%0.494SS..Hα-helixtrans-61.1-47.4174.400000111.8D403 A404 T409 M410 T411D403-A407 PolarHBondContact O-N 2.63Å; A404-A407 WeakPolarHBondContact O-CB 3.12Å; A404-A407 PolarHBondContact O-N 3.06Å; A407-T409 VanDerWaalsContact C-N 3.33Å; A407-T409 PolarHBondContact O-N 3.08Å; A407-M410 WeakPolarHBondContact O-CA 3.43Å; A407-M410 WeakPolarHBondContact O-CB 3.24Å; A407-M410 PolarHBondContact O-N 2.86Å; A407-T411 PolarHBondContact O-N 3.3Å; A407-T411 PolarHBondContact O-OG1 3.38Å
408E98.1Very high98.3Very high109 Ų10988.7 Ų88.751%0.50949%0.487SS..Hα-helixtrans-60.8-40.1176.3-172.4178-179.300112A404 L405 M410 T411 L412A404-E408 PolarHBondContact O-N 3.18Å; L405-E408 PolarHBondContact O-N 3.46Å; E408-M410 VanDerWaalsContact C-N 3.25Å; E408-M410 PolarHBondContact O-N 3.08Å; E408-T411 WeakPolarHBondContact CA-OG1 3.36Å; E408-T411 PolarHBondContact O-N 2.7Å; E408-T411 PolarHBondContact O-OG1 2.82Å; E408-L412 HydrophobicContact CG-CD1 4.13Å; E408-L412 HydrophobicContact CG-CG 4.48Å; E408-L412 WeakPolarHBondContact O-CB 3.28Å; E408-L412 VanDerWaalsContact O-CG 3.28Å; E408-L412 WeakPolarHBondContact O-CG 3.16Å; E408-L412 PolarHBondContact O-N 3.15Å
409T98.3Very high98.3Very high59 Ų5989.2 Ų89.236%0.36249%0.492SS..Hα-helixtrans-71.6-20.1176-41.70000112.3L405 T406 A407 R413L405-T409 WeakPolarHBondContact O-CB 3.31Å; L405-T409 PolarHBondContact O-N 2.8Å; L405-T409 PolarHBondContact O-OG1 3.35Å; T406-T409 PolarHBondContact O-N 2.86Å; A407-T409 VanDerWaalsContact C-N 3.33Å; A407-T409 PolarHBondContact O-N 3.08Å; T409-R413 VanDerWaalsContact CG2-NH1 3.25Å; T409-R413 WeakPolarHBondContact O-CD 3.39Å; T409-R413 VanDerWaalsContact O-CG 3.26Å; T409-R413 WeakPolarHBondContact O-CG 3.42Å; T409-R413 PolarHBondContact O-NH1 2.72Å
410M98.1Very high98.3Very high91 Ų9187.5 Ų87.545%0.44849%0.491SS..Hα-helixtrans-78-47.7169.9-65.4-89.367.800110.4T406 A407 E408 L412 R413 E414T406-M410 VanDerWaalsContact O-CG 3.23Å; T406-M410 WeakPolarHBondContact O-CG 3.3Å; T406-M410 PolarHBondContact O-N 3.45Å; A407-M410 WeakPolarHBondContact O-CA 3.43Å; A407-M410 WeakPolarHBondContact O-CB 3.24Å; A407-M410 PolarHBondContact O-N 2.86Å; E408-M410 VanDerWaalsContact C-N 3.25Å; E408-M410 PolarHBondContact O-N 3.08Å; M410-L412 PolarHBondContact O-N 2.96Å; M410-R413 WeakPolarHBondContact O-CB 3.33Å; M410-R413 PolarHBondContact O-N 3.47Å; M410-E414 PolarHBondContact O-N 2.85Å
411T98.2Very high98.2Very high66 Ų6689.4 Ų89.441%0.40550%0.495SS..Hα-helixtrans-61.9-40.7177.855.30000112.1A407 E408 R413 E414 E415A407-T411 PolarHBondContact O-N 3.3Å; A407-T411 PolarHBondContact O-OG1 3.38Å; E408-T411 WeakPolarHBondContact CA-OG1 3.36Å; E408-T411 PolarHBondContact O-N 2.7Å; E408-T411 PolarHBondContact O-OG1 2.82Å; T411-R413 VanDerWaalsContact C-N 3.28Å; T411-R413 PolarHBondContact O-N 2.81Å; T411-E414 PolarHBondContact O-N 2.82Å; T411-E415 WeakPolarHBondContact O-CB 3.24Å; T411-E415 WeakPolarHBondContact O-CG 3.4Å; T411-E415 PolarHBondContact O-N 3.38Å
412L98.4Very high98.2Very high97 Ų9785.4 Ų85.451%0.50848%0.48SS..Hα-helixtrans-63.4-31174.8-73171.7000113E408 M410 G416E408-L412 HydrophobicContact CG-CD1 4.13Å; E408-L412 HydrophobicContact CG-CG 4.48Å; E408-L412 WeakPolarHBondContact O-CB 3.28Å; E408-L412 VanDerWaalsContact O-CG 3.28Å; E408-L412 WeakPolarHBondContact O-CG 3.16Å; E408-L412 PolarHBondContact O-N 3.15Å; M410-L412 PolarHBondContact O-N 2.96Å; L412-G416 PolarHBondContact O-N 3.06Å
413R98Very high98.1Very high154 Ų15485.6 Ų85.658%0.58148%0.483SS*.Hα-helixtrans-73.5-39173.3-76176-177116.6-7111.7T409 M410 T411 G416 A417T409-R413 VanDerWaalsContact CG2-NH1 3.25Å; T409-R413 WeakPolarHBondContact O-CD 3.39Å; T409-R413 VanDerWaalsContact O-CG 3.26Å; T409-R413 WeakPolarHBondContact O-CG 3.42Å; T409-R413 PolarHBondContact O-NH1 2.72Å; M410-R413 WeakPolarHBondContact O-CB 3.33Å; M410-R413 PolarHBondContact O-N 3.47Å; T411-R413 VanDerWaalsContact C-N 3.28Å; T411-R413 PolarHBondContact O-N 2.81Å; R413-G416 PolarHBondContact O-N 3.31Å; R413-A417 WeakPolarHBondContact O-CB 3.49Å; R413-A417 PolarHBondContact O-N 3.18Å
414E98.1Very high98Very high134 Ų13486.6 Ų86.663%0.62648%0.484SS*.Hα-helixtrans-64-45.6174.3-69.9174-173.300111.3M410 T411 A417 A418M410-E414 PolarHBondContact O-N 2.85Å; T411-E414 PolarHBondContact O-N 2.82Å; E414-A417 PolarHBondContact O-N 2.86Å; E414-A418 WeakPolarHBondContact O-CB 3.5Å; E414-A418 PolarHBondContact O-N 3.13Å
415E97.8Very high98Very high116 Ų11690 Ų9054%0.54249%0.491SS..Hα-helixtrans-61.9-43.1173.3-72.5-179.3178.900111.7T411 A417 A418 L419T411-E415 WeakPolarHBondContact O-CB 3.24Å; T411-E415 WeakPolarHBondContact O-CG 3.4Å; T411-E415 PolarHBondContact O-N 3.38Å; E415-A417 VanDerWaalsContact C-N 3.35Å; E415-A417 PolarHBondContact O-N 2.96Å; E415-A418 PolarHBondContact O-N 3.45Å; E415-L419 WeakPolarHBondContact O-CB 3.44Å; E415-L419 WeakPolarHBondContact O-CG 3.31Å; E415-L419 PolarHBondContact O-N 3.4Å
416G97.9Very high98Very high36 Ų3694 Ų9437%0.37150%0.5SS..Hα-helixtrans-58.5-43.7174.200000112.8L412 R413 L419 Q420L412-G416 PolarHBondContact O-N 3.06Å; R413-G416 PolarHBondContact O-N 3.31Å; G416-L419 PolarHBondContact O-N 2.95Å; G416-Q420 WeakPolarHBondContact O-CB 3.22Å; G416-Q420 PolarHBondContact O-N 3.49Å
417A97.8Very high97.9Very high46 Ų4693.4 Ų93.438%0.3850%0.496SS..Hα-helixtrans-68.3-38.1175.700000112.7R413 E414 E415 Q420 T421R413-A417 WeakPolarHBondContact O-CB 3.49Å; R413-A417 PolarHBondContact O-N 3.18Å; E414-A417 PolarHBondContact O-N 2.86Å; E415-A417 VanDerWaalsContact C-N 3.35Å; E415-A417 PolarHBondContact O-N 2.96Å; A417-Q420 PolarHBondContact O-N 3.15Å; A417-T421 WeakPolarHBondContact O-CB 3.38Å; A417-T421 WeakPolarHBondContact O-CG2 3.36Å; A417-T421 PolarHBondContact O-N 3.4Å; A417-T421 PolarHBondContact O-OG1 3.23Å
418A97.9Very high97.9Very high61 Ų6193 Ų9350%0.50449%0.493SS..Hα-helixtrans-65.3-39.4174.800000112E414 E415 T421 G422E414-A418 WeakPolarHBondContact O-CB 3.5Å; E414-A418 PolarHBondContact O-N 3.13Å; E415-A418 PolarHBondContact O-N 3.45Å; A418-T421 WeakPolarHBondContact CA-OG1 3.41Å; A418-T421 PolarHBondContact O-OG1 2.94Å; A418-T421 VanDerWaalsContact O-OG1 3.07Å; A418-G422 PolarHBondContact O-N 2.99Å
419L98.2Very high97.8Very high122 Ų12291 Ų9164%0.63949%0.485SS*.Hα-helixtrans-69.7-41.3174.3-71.1173.7000111.7E415 G416 G422 L423E415-L419 WeakPolarHBondContact O-CB 3.44Å; E415-L419 WeakPolarHBondContact O-CG 3.31Å; E415-L419 PolarHBondContact O-N 3.4Å; G416-L419 PolarHBondContact O-N 2.95Å; L419-G422 PolarHBondContact O-N 3.25Å; L419-L423 WeakPolarHBondContact O-CB 3.45Å; L419-L423 WeakPolarHBondContact O-CG 3.46Å; L419-L423 PolarHBondContact O-N 2.97Å
420Q97.9Very high97.8Very high118 Ų11893.5 Ų93.555%0.55150%0.496SS*.Hα-helixtrans-61.9-45.9176.6-174.4178.519.700111.9G416 A417 L423 Q424G416-Q420 WeakPolarHBondContact O-CB 3.22Å; G416-Q420 PolarHBondContact O-N 3.49Å; A417-Q420 PolarHBondContact O-N 3.15Å; Q420-L423 PolarHBondContact O-N 3.3Å; Q420-Q424 WeakPolarHBondContact O-CG 3.42Å; Q420-Q424 PolarHBondContact O-N 2.91Å
421T97.4Very high97.8Very high80 Ų8094.5 Ų94.549%0.49150%0.5SS..Hα-helixtrans-66.5-38.7176.3490000111.8A417 A418 L423 Q424 Q425A417-T421 WeakPolarHBondContact O-CB 3.38Å; A417-T421 WeakPolarHBondContact O-CG2 3.36Å; A417-T421 PolarHBondContact O-N 3.4Å; A417-T421 PolarHBondContact O-OG1 3.23Å; A418-T421 WeakPolarHBondContact CA-OG1 3.41Å; A418-T421 PolarHBondContact O-OG1 2.94Å; A418-T421 VanDerWaalsContact O-OG1 3.07Å; T421-L423 VanDerWaalsContact C-N 3.35Å; T421-L423 PolarHBondContact O-N 3.47Å; T421-Q424 PolarHBondContact O-N 2.74Å; T421-Q425 WeakPolarHBondContact O-CB 3.38Å; T421-Q425 PolarHBondContact O-N 3.42Å
422G98Very high97.7Very high25 Ų2597.6 Ų97.626%0.25851%0.51SS..Hα-helixtrans-64.5-33.9173.100000114.1A418 L419 R426A418-G422 PolarHBondContact O-N 2.99Å; L419-G422 PolarHBondContact O-N 3.25Å; G422-R426 WeakPolarHBondContact O-CG 3.3Å; G422-R426 PolarHBondContact O-N 2.93Å; G422-R426 VanDerWaalsContact O-N 3.16Å
423L97.6Very high97.6Very high106 Ų10699 Ų9956%0.55551%0.512SS*.Hα-helixtrans-69.8-45.8171.4-73.7173000111.4L419 Q420 T421 Q425 R426 T427L419-L423 WeakPolarHBondContact O-CB 3.45Å; L419-L423 WeakPolarHBondContact O-CG 3.46Å; L419-L423 PolarHBondContact O-N 2.97Å; Q420-L423 PolarHBondContact O-N 3.3Å; T421-L423 VanDerWaalsContact C-N 3.35Å; T421-L423 PolarHBondContact O-N 3.47Å; L423-Q425 VanDerWaalsContact C-N 3.31Å; L423-Q425 PolarHBondContact O-N 3.21Å; L423-R426 PolarHBondContact O-N 3.37Å; L423-T427 PolarHBondContact O-N 3.17Å; L423-T427 PolarHBondContact O-OG1 3.31Å; L423-T427 VanDerWaalsContact O-OG1 3.09Å
424Q97.4Very high97.5Very high115 Ų11596.9 Ų96.954%0.53751%0.511SS..Hα-helixtrans-58-42.5175.1-74.5173.2-14.900112Q420 T421 T427 A428Q420-Q424 WeakPolarHBondContact O-CG 3.42Å; Q420-Q424 PolarHBondContact O-N 2.91Å; T421-Q424 PolarHBondContact O-N 2.74Å; Q424-T427 PolarHBondContact O-N 2.88Å; Q424-A428 PolarHBondContact O-N 2.78Å
425Q97.6Very high97.4Very high128 Ų12895.7 Ų95.760%0.59851%0.509SS*.Hα-helixtrans-60.1-47.3174.7-175.9-179.85.300111.5T421 L423 T427 A428 D429T421-Q425 WeakPolarHBondContact O-CB 3.38Å; T421-Q425 PolarHBondContact O-N 3.42Å; L423-Q425 VanDerWaalsContact C-N 3.31Å; L423-Q425 PolarHBondContact O-N 3.21Å; Q425-T427 VanDerWaalsContact C-N 3.29Å; Q425-T427 PolarHBondContact O-N 3.12Å; Q425-A428 PolarHBondContact O-N 3.43Å; Q425-D429 PolarHBondContact O-N 2.84Å
426R97.7Very high97.3Very high169 Ų16993.2 Ų93.264%0.63851%0.505SS*.Hα-helixtrans-63.6-34.5176.9-72.8174.6-177.1171.73.3112.7G422 L423 L430G422-R426 WeakPolarHBondContact O-CG 3.3Å; G422-R426 PolarHBondContact O-N 2.93Å; G422-R426 VanDerWaalsContact O-N 3.16Å; L423-R426 PolarHBondContact O-N 3.37Å; R426-L430 WeakPolarHBondContact O-CB 3.35Å; R426-L430 VanDerWaalsContact O-CG 3.24Å; R426-L430 WeakPolarHBondContact O-CG 3.48Å; R426-L430 PolarHBondContact O-N 3.17Å
427T97.8Very high97.2Very high73 Ų7395 Ų9545%0.44851%0.509SS..Hα-helixtrans-65-48.7173.9-59.10000110.4L423 Q424 Q425 D429 L430 E431L423-T427 PolarHBondContact O-N 3.17Å; L423-T427 PolarHBondContact O-OG1 3.31Å; L423-T427 VanDerWaalsContact O-OG1 3.09Å; Q424-T427 PolarHBondContact O-N 2.88Å; Q425-T427 VanDerWaalsContact C-N 3.29Å; Q425-T427 PolarHBondContact O-N 3.12Å; T427-D429 PolarHBondContact O-N 3.2Å; T427-L430 CarbonylContact O-C 3.57Å; T427-L430 PolarHBondContact O-N 2.91Å; T427-L430 VanDerWaalsContact O-N 3.08Å; T427-E431 HydrophobicContact CG2-CG 4.47Å; T427-E431 WeakPolarHBondContact O-CG 3.46Å; T427-E431 PolarHBondContact O-N 2.84Å
428A97.1Very high97Very high49 Ų4995.5 Ų95.541%0.40551%0.506SS..Hα-helixtrans-61.6-39.5175.900000112.9Q424 Q425 L430 E431 Q432Q424-A428 PolarHBondContact O-N 2.78Å; Q425-A428 PolarHBondContact O-N 3.43Å; A428-L430 VanDerWaalsContact C-N 3.28Å; A428-L430 PolarHBondContact O-N 2.87Å; A428-E431 PolarHBondContact O-N 3.5Å; A428-Q432 WeakPolarHBondContact O-CB 3.43Å; A428-Q432 PolarHBondContact O-N 3.06Å
429D97.9Very high96.8Very high65 Ų6599.3 Ų99.335%0.34852%0.517SS..Hα-helixtrans-62.3-34.7173.7-75.1-6.3000112.1Q425 T427 K433Q425-D429 PolarHBondContact O-N 2.84Å; T427-D429 PolarHBondContact O-N 3.2Å; D429-K433 WeakPolarHBondContact O-CD 3.39Å; D429-K433 VanDerWaalsContact O-CG 3.22Å; D429-K433 WeakPolarHBondContact O-CG 3.28Å; D429-K433 PolarHBondContact O-N 2.79Å
430L97.6Very high96.5Very high112 Ų11299 Ų9959%0.58652%0.516SS*.Hα-helixtrans-77.4-39.1177.1-73.7171.1000111.8R426 T427 A428 K433 L434R426-L430 WeakPolarHBondContact O-CB 3.35Å; R426-L430 VanDerWaalsContact O-CG 3.24Å; R426-L430 WeakPolarHBondContact O-CG 3.48Å; R426-L430 PolarHBondContact O-N 3.17Å; T427-L430 CarbonylContact O-C 3.57Å; T427-L430 PolarHBondContact O-N 2.91Å; T427-L430 VanDerWaalsContact O-N 3.08Å; A428-L430 VanDerWaalsContact C-N 3.28Å; A428-L430 PolarHBondContact O-N 2.87Å; L430-K433 PolarHBondContact O-N 3.49Å; L430-L434 WeakPolarHBondContact O-CB 3.33Å; L430-L434 PolarHBondContact O-N 3.13Å
431E96.9Very high95.9Very high113 Ų11396.6 Ų96.653%0.52851%0.505SS..Hα-helixtrans-59.6-48.1171.1-72.5169.6173.100110.4T427 A428 K433 L434 D435T427-E431 HydrophobicContact CG2-CG 4.47Å; T427-E431 WeakPolarHBondContact O-CG 3.46Å; T427-E431 PolarHBondContact O-N 2.84Å; A428-E431 PolarHBondContact O-N 3.5Å; E431-K433 VanDerWaalsContact C-N 3.31Å; E431-K433 PolarHBondContact O-N 2.85Å; E431-L434 CarbonylContact O-C 3.49Å; E431-L434 WeakPolarHBondContact O-CA 3.41Å; E431-L434 WeakPolarHBondContact O-CB 3.28Å; E431-L434 PolarHBondContact O-N 3.19Å; E431-L434 VanDerWaalsContact O-N 3.08Å; E431-D435 PolarHBondContact O-N 2.76Å
432Q96.7Very high95.4Very high130 Ų13094.9 Ų94.961%0.60750%0.504SS*.Hα-helixtrans-60.5-38175.9-172.1-174.35.800112.7A428 S436A428-Q432 WeakPolarHBondContact O-CB 3.43Å; A428-Q432 PolarHBondContact O-N 3.06Å; Q432-S436 WeakPolarHBondContact O-CB 3.41Å; Q432-S436 PolarHBondContact O-N 3.37Å; Q432-S436 PolarHBondContact O-OG 3.37Å
433K96.8Very high94.5Very high128 Ų12897.1 Ų97.156%0.55753%0.527SS*.Hα-helixtrans-68-39.6174.4-76.6166.5-173166.40111.6D429 L430 E431 S436 V437D429-K433 WeakPolarHBondContact O-CD 3.39Å; D429-K433 VanDerWaalsContact O-CG 3.22Å; D429-K433 WeakPolarHBondContact O-CG 3.28Å; D429-K433 PolarHBondContact O-N 2.79Å; L430-K433 PolarHBondContact O-N 3.49Å; E431-K433 VanDerWaalsContact C-N 3.31Å; E431-K433 PolarHBondContact O-N 2.85Å; K433-S436 PolarHBondContact O-N 3.46Å; K433-V437 VanDerWaalsContact O-CG2 3.26Å; K433-V437 WeakPolarHBondContact O-CG2 3.41Å; K433-V437 PolarHBondContact O-N 3.01Å
434L96.4Very high93.4Very high109 Ų10998.1 Ų98.157%0.57153%0.532SS*.Hα-helixtrans-62.8-48.8174.8-177.266.6000110.4L430 E431 S436 V437 V438L430-L434 WeakPolarHBondContact O-CB 3.33Å; L430-L434 PolarHBondContact O-N 3.13Å; E431-L434 CarbonylContact O-C 3.49Å; E431-L434 WeakPolarHBondContact O-CA 3.41Å; E431-L434 WeakPolarHBondContact O-CB 3.28Å; E431-L434 PolarHBondContact O-N 3.19Å; E431-L434 VanDerWaalsContact O-N 3.08Å; L434-S436 VanDerWaalsContact C-N 3.28Å; L434-S436 PolarHBondContact O-N 2.98Å; L434-V437 CarbonylContact O-C 3.52Å; L434-V437 WeakPolarHBondContact O-CB 3.28Å; L434-V437 PolarHBondContact O-N 3.39Å; L434-V437 VanDerWaalsContact O-N 3.08Å; L434-V438 HydrophobicContact CG-CG2 4.45Å; L434-V438 WeakPolarHBondContact O-CG2 3.43Å; L434-V438 PolarHBondContact O-N 2.78Å
435D95.9Very high91.9Very high109 Ų10995.5 Ų95.558%0.58354%0.536SS*.Hα-helixtrans-57.3-41.6175.4-74.5-17.9000111.7E431 V437 V438 L439E431-D435 PolarHBondContact O-N 2.76Å; D435-V437 VanDerWaalsContact C-N 3.35Å; D435-V437 PolarHBondContact O-N 3.18Å; D435-V438 PolarHBondContact O-N 3.1Å; D435-L439 VanDerWaalsContact O-CB 3.31Å; D435-L439 WeakPolarHBondContact O-CB 3.39Å; D435-L439 PolarHBondContact O-N 3.2Å
436S95Very high90.3Very high63 Ų6395.5 Ų95.544%0.44154%0.539SS..Hα-helixtrans-62.6-40.5175.8-58.50000112.3Q432 K433 L434 L440Q432-S436 WeakPolarHBondContact O-CB 3.41Å; Q432-S436 PolarHBondContact O-N 3.37Å; Q432-S436 PolarHBondContact O-OG 3.37Å; K433-S436 PolarHBondContact O-N 3.46Å; L434-S436 VanDerWaalsContact C-N 3.28Å; L434-S436 PolarHBondContact O-N 2.98Å; S436-L440 WeakPolarHBondContact O-CG 3.31Å; S436-L440 PolarHBondContact O-N 3.04Å
437V95.3Very high88.4Confident75 Ų7592.7 Ų92.746%0.45554%0.537SS..Hα-helixtrans-69.9-40.9175.9171.60000110.9K433 L434 D435 L440 M441K433-V437 VanDerWaalsContact O-CG2 3.26Å; K433-V437 WeakPolarHBondContact O-CG2 3.41Å; K433-V437 PolarHBondContact O-N 3.01Å; L434-V437 CarbonylContact O-C 3.52Å; L434-V437 WeakPolarHBondContact O-CB 3.28Å; L434-V437 PolarHBondContact O-N 3.39Å; L434-V437 VanDerWaalsContact O-N 3.08Å; D435-V437 VanDerWaalsContact C-N 3.35Å; D435-V437 PolarHBondContact O-N 3.18Å; V437-L440 PolarHBondContact O-N 2.91Å; V437-M441 HydrophobicContact CG1-CE 4.24Å; V437-M441 WeakPolarHBondContact O-CG 3.31Å; V437-M441 PolarHBondContact O-N 3.47Å
438V94.3Very high86.1Confident55 Ų5591.9 Ų91.933%0.33354%0.542SS..Hα-helixtrans-62.5-43.2175.2169.10000110.8L434 D435 L440 M441 G442 L447L434-V438 HydrophobicContact CG-CG2 4.45Å; L434-V438 WeakPolarHBondContact O-CG2 3.43Å; L434-V438 PolarHBondContact O-N 2.78Å; D435-V438 PolarHBondContact O-N 3.1Å; V438-L440 PolarHBondContact O-N 2.94Å; V438-M441 HydrophobicContact CG2-CE 4.34Å; V438-M441 PolarHBondContact O-N 3.47Å; V438-G442 PolarHBondContact O-N 3.36Å; V438-L447 HydrophobicContact CG1-CD2 4.22Å
439L92.5Very high83.8Confident141 Ų14196.9 Ų96.974%0.73856%0.558SS**Hα-helixtrans-63.5-40.7176.7-158.878.1000111.5D435 G442 G443D435-L439 VanDerWaalsContact O-CB 3.31Å; D435-L439 WeakPolarHBondContact O-CB 3.39Å; D435-L439 PolarHBondContact O-N 3.2Å; L439-G442 PolarHBondContact O-N 3.29Å; L439-G443 PolarHBondContact O-N 3.3Å
440L92.6Very high81.4Confident117 Ų117101.9 Ų101.961%0.61358%0.579SS**Hα-helixtrans-64.3-45.1172.8-81.4163.8000112.3S436 V437 V438 G442 G443 L444S436-L440 WeakPolarHBondContact O-CG 3.31Å; S436-L440 PolarHBondContact O-N 3.04Å; V437-L440 PolarHBondContact O-N 2.91Å; V438-L440 PolarHBondContact O-N 2.94Å; L440-G442 VanDerWaalsContact C-N 3.33Å; L440-G442 PolarHBondContact O-N 2.86Å; L440-G443 PolarHBondContact O-N 3.13Å; L440-L444 WeakPolarHBondContact O-CB 3.49Å; L440-L444 VanDerWaalsContact O-CG 3.25Å; L440-L444 WeakPolarHBondContact O-CG 3.41Å; L440-L444 PolarHBondContact O-N 3.33Å
441M85.4Confident78.9Confident66 Ų66103 Ų10333%0.32559%0.591SS.*Hα-helixtrans-65.4-35.3176.5-71.9-168.1-56.200112.6V437 V438 L444 G445 L446 L447V437-M441 HydrophobicContact CG1-CE 4.24Å; V437-M441 WeakPolarHBondContact O-CG 3.31Å; V437-M441 PolarHBondContact O-N 3.47Å; V438-M441 HydrophobicContact CG2-CE 4.34Å; V438-M441 PolarHBondContact O-N 3.47Å; M441-L444 CarbonylContact O-C 3.54Å; M441-L444 PolarHBondContact O-N 2.83Å; M441-G445 PolarHBondContact O-N 3.49Å; M441-G445 VanDerWaalsContact O-N 3.13Å; M441-L446 HydrophobicContact CB-CB 4.38Å; M441-L446 PolarHBondContact O-N 3.32Å; M441-L447 HydrophobicContact CE-CD1 4.3Å
442G86.4Confident75.9Confident44 Ų44105.5 Ų105.545%0.45460%0.6SS.*Hα-helixtrans-65.4-44.7172.100000112.1V438 L439 L440 L444 G445V438-G442 PolarHBondContact O-N 3.36Å; L439-G442 PolarHBondContact O-N 3.29Å; L440-G442 VanDerWaalsContact C-N 3.33Å; L440-G442 PolarHBondContact O-N 2.86Å; G442-L444 PolarHBondContact O-N 2.93Å; G442-G445 PolarHBondContact O-N 3.33Å
443G78.8Confident73.2Confident73 Ų73104.7 Ų104.775%0.75361%0.606SS**Hα-helixtrans-64.4-24.8173.200000114.2L439 L440L439-G443 PolarHBondContact O-N 3.3Å; L440-G443 PolarHBondContact O-N 3.13Å
444L76.3Confident70.2Confident127 Ų127104.2 Ų104.267%0.66562%0.619SS**THydrogen-bonded Turntrans-89.81.6172.8-68.8168000113.6L440 M441 G442 L446L440-L444 WeakPolarHBondContact O-CB 3.49Å; L440-L444 VanDerWaalsContact O-CG 3.25Å; L440-L444 WeakPolarHBondContact O-CG 3.41Å; L440-L444 PolarHBondContact O-N 3.33Å; M441-L444 CarbonylContact O-C 3.54Å; M441-L444 PolarHBondContact O-N 2.83Å; G442-L444 PolarHBondContact O-N 2.93Å; L444-L446 HydrophobicContact CB-CD1 3.96Å; L444-L446 HydrophobicContact CB-CG 4.34Å; L444-L446 HydrophobicContact CD1-CD1 4.35Å; L444-L446 PolarHBondContact O-N 2.91Å
445G65.3Low67.2Low60 Ų60110.3 Ų110.362%0.61963%0.634SS**THydrogen-bonded Turntrans68.39.9179.500000115.4M441 G442M441-G445 PolarHBondContact O-N 3.49Å; M441-G445 VanDerWaalsContact O-N 3.13Å; G442-G445 PolarHBondContact O-N 3.33Å
446L63.4Low64.2Low127 Ų127112.7 Ų112.767%0.66565%0.647SS**  trans-76.7-23.1-176.8-75.3160.7000112.8M441 L444 G448M441-L446 HydrophobicContact CB-CB 4.38Å; M441-L446 PolarHBondContact O-N 3.32Å; L444-L446 HydrophobicContact CB-CD1 3.96Å; L444-L446 HydrophobicContact CB-CG 4.34Å; L444-L446 HydrophobicContact CD1-CD1 4.35Å; L444-L446 PolarHBondContact O-N 2.91Å; L446-G448 VanDerWaalsContact C-N 3.28Å; L446-G448 PolarHBondContact O-N 3.07Å; L446-G448 VanDerWaalsContact O-N 3.15Å
447L58.1Low61.4Low111 Ų111114.9 Ų114.958%0.58166%0.662SS**SBendtrans-89.255.7179.2-147.680.7000113V438 M441V438-L447 HydrophobicContact CG1-CD2 4.22Å; M441-L447 HydrophobicContact CE-CD1 4.3Å
448G49.6Very low58.4Low55 Ų55115.2 Ų115.257%0.56768%0.681SS**  trans63.688.2153.900000118.1L446 Q450L446-G448 VanDerWaalsContact C-N 3.28Å; L446-G448 PolarHBondContact O-N 3.07Å; L446-G448 VanDerWaalsContact O-N 3.15Å; G448-Q450 PolarHBondContact O-N 3.01Å
449E47.7Very low55.3Low155 Ų155116.1 Ų116.172%0.72470%0.701SS**  trans-6475.5154.8-171.3-171165.900110.5K452E449-K452 VanDerWaalsContact OE1-CE 3.24Å; E449-K452 WeakPolarHBondContact OE1-CE 3.37Å; E449-K452 IonicContact OE1-NZ 3.15Å; E449-K452 PolarHBondContact OE1-NZ 3.35Å
450Q48.8Very low52.4Low169 Ų169120.9 Ų120.979%0.7971%0.709SS**  trans-13738.8-175.2-95.9-7072.900115.4G448G448-Q450 PolarHBondContact O-N 3.01Å
451T44.3Very low49.5Very low136 Ų136121.2 Ų121.283%0.83472%0.716SS**  trans-143.979.6156.9-34.30000111.9P453T451-P453 VanDerWaalsContact O-CD 3.27Å; T451-P453 WeakPolarHBondContact O-CD 3.39Å
452K33.5Very low47.1Very low165 Ų165122.5 Ų122.572%0.71773%0.731SS**  trans-87.1110.3162.9-82.1174.2179.9148.70109.2E449 S454E449-K452 VanDerWaalsContact OE1-CE 3.24Å; E449-K452 WeakPolarHBondContact OE1-CE 3.37Å; E449-K452 IonicContact OE1-NZ 3.15Å; E449-K452 PolarHBondContact OE1-NZ 3.35Å; K452-S454 PolarHBondContact O-N 2.92Å
453P41.5Very low44.6Very low113 Ų113128.8 Ų128.873%0.73475%0.749SS**  trans-67.8129.8160.129.1-31.6000108.3T451 R455T451-P453 VanDerWaalsContact O-CD 3.27Å; T451-P453 WeakPolarHBondContact O-CD 3.39Å; P453-R455 PolarHBondContact O-N 3.35Å
454S32.8Very low42.2Very low119 Ų119130.3 Ų130.383%0.83275%0.748SS**  trans-62.6106.4176.251.70000109.9K452 D456K452-S454 PolarHBondContact O-N 2.92Å; S454-D456 PolarHBondContact O-N 2.89Å; S454-D456 VanDerWaalsContact O-N 3.08Å
455R34.7Very low40Very low236 Ų236129.4 Ų129.489%0.89175%0.751SS**  trans-78.791.6178.4-171-178.5-171-177.83.6109.3P453P453-R455 PolarHBondContact O-N 3.35Å
456D31.2Very low38.1Very low159 Ų159132.8 Ų132.885%0.8576%0.759SS**  trans-64.7139.6172.7-156.2-4.4000110.1S454S454-D456 PolarHBondContact O-N 2.89Å; S454-D456 VanDerWaalsContact O-N 3.08Å
457S37.3Very low36.4Very low110 Ų110132.2 Ų132.277%0.76977%0.765SS**  trans-132.498.7-168.466.20000111.2
458G30.9Very low35.1Very low82 Ų82138.3 Ų138.385%0.84578%0.78SS**  trans-168.3105.2177.700000115.3
459G29.9Very low34.1Very low73 Ų73141.2 Ų141.275%0.75379%0.792SS**  trans100.589143.100000119.6
460R32.5Very low33.1Very low242 Ų242138.9 Ų138.991%0.91380%0.799SS**  66.9126.7126.9-77.9-171.3-126.3-113.10.2122.1
461V31.4Very low32Very low123 Ų123134.4 Ų134.475%0.74580%0.798SS**  95.8103.4127.2171.40000119.2
462S35.3Very low31.1Very low94 Ų94131.2 Ų131.266%0.65779%0.792SS**  trans71.3121132.8-63.90000123.6
463Q33.2Very low31Very low176 Ų176130.8 Ų130.882%0.82280%0.798SS**  71.2112.6127.9-69.4-179.7-20.800120.8
464S28.9Very low30.5Very low105 Ų105133.1 Ų133.173%0.73480%0.799SS**  120.6158.111876.60000117.3
465C28.9Very low30.4Very low107 Ų107136 Ų13672%0.72380%0.796SS**  trans49.2117.1171.1520000118.8
466V26.8Very low30.1Very low132 Ų132129.9 Ų129.980%0.879%0.785SS**  83.4132.359.4170.30000113.6
467C26.7Very low30.2Very low115 Ų115130.9 Ų130.978%0.77779%0.785SS**  trans70.893.6167.8-73.80000121.1
468R30.3Very low29.8Very low238 Ų238133.9 Ų133.990%0.89879%0.787SS**  7.7113.1110.7179-177.3-179.2172.60.5116.4
469S29.1Very low29.6Very low116 Ų116136.7 Ų136.781%0.81179%0.788SS**  -176.8164.6119.7-109.60000114.8
470A27.3Very low29.6Very low106 Ų106144 Ų14488%0.87679%0.793SS**  trans-59.3165.3-177.100000117.5
471G25.1Very low29.5Very low76 Ų76139.5 Ų139.578%0.78479%0.792SS**  trans157.2121.4161.300000113
472G26.8Very low29.6Very low68 Ų68138.6 Ų138.670%0.70179%0.791SS**  trans-70.2179.4161.300000110.9
473D30.5Very low30.1Very low156 Ų156139.7 Ų139.783%0.83480%0.796SS**  cis-168.3166.840.2-98.4-42000112.6
474E30.7Very low30.2Very low162 Ų162136.4 Ų136.476%0.75780%0.798SS**  trans36.1126.1152.6-59.4-164.5106.700121.8
475K30.2Very low30.6Very low179 Ų179137.5 Ų137.578%0.77880%0.801SS**  -172.3125.292.1-99.8179.3179.6164.50115.6
476T29.5Very low31.3Very low108 Ų108140.4 Ų140.466%0.66381%0.808SS**  trans48.9112.4135.5-23.90000119.9
477Q31.9Very low31.8Very low180 Ų180142.5 Ų142.584%0.84181%0.814SS**  -173.4138.8102.3-96.2168.937.400113.8
478Q30.2Very low32.8Very low174 Ų174142.1 Ų142.181%0.81381%0.813SS**  trans-28.7142.4159.9-63.2155.8-9.400113.7
479T27.5Very low33.4Very low140 Ų140136.8 Ų136.886%0.85981%0.809SS**  -161.315370.2-63.80000112.4
480R29.4Very low34Very low227 Ų227137 Ų13786%0.85781%0.807SS**  trans-82.4149.7-174.1-54.9165.9173.1170.6-5.2113.3
481V29.9Very low34.5Very low147 Ų147140.8 Ų140.889%0.89181%0.807SS**  -144138.2124.4-170.70000108.2
482S33.5Very low34.9Very low104 Ų104145.3 Ų145.373%0.72781%0.808SS**  trans-109.2155.4177.5-64.70000111.3
483P45.7Very low35Very low117 Ų117147.7 Ų147.776%0.7681%0.812SS**  trans-82.8155.5-169.933.9-36.3000113.4
484A34.8Very low35.1Very low107 Ų107146.9 Ų146.988%0.88481%0.808SS**  trans-8412216600000110.1
485V37.8Very low35Very low129 Ų129145.1 Ų145.178%0.78280%0.804SS**  trans-131.5144.4171.2176.60000109
486L43.3Very low34.9Very low167 Ų167147 Ų14787%0.87481%0.806SS**  trans-59.6144-168.4-72.3145.7000114.2
487L38.1Very low35Very low176 Ų176149.7 Ų149.792%0.92181%0.811SS**  trans-81.7113.3176.1-68.5166.1000111.1
488S47.2Very low34.9Very low108 Ų108149.5 Ų149.576%0.75581%0.81SS**  trans-116136158.5-68.70000108.8
489P43.6Very low34.6Very low125 Ų125146.2 Ų146.281%0.81281%0.806SS**PPolyproline II helixtrans-66.4151178.7-21.534.1000113.2
490P41.8Very low35.1Very low120 Ų120145.5 Ų145.578%0.77980%0.804SS**PPolyproline II helixtrans-88.2144.8-164.134-35.9000114.4
491Q36.5Very low35Very low187 Ų187138.9 Ų138.987%0.87481%0.806SS**PPolyproline II helixtrans-85.4125.7158.2-69.8-179-21.600108.9C493Q491-C493 PolarHBondContact O-N 2.63Å
492Q34Very low34.8Very low171 Ų171135.2 Ų135.280%0.79980%0.798SS**PPolyproline II helixtrans-78120.1175.9-70.5-178.4-93.300110.7
493C28.9Very low34.5Very low118 Ų118139.5 Ų139.580%0.79781%0.806SS**  trans-114.597.3163.9-710000108.3Q491 N495Q491-C493 PolarHBondContact O-N 2.63Å; C493-N495 PolarHBondContact O-N 2.75Å
494D32Very low33.6Very low139 Ų139138.5 Ų138.574%0.74381%0.808SS**  trans-79118.4171.1-78.7-43.3000110.1
495N29.9Very low33.5Very low125 Ų125141.4 Ų141.467%0.66881%0.808SS**  trans-117.4115.4176.9-178.812.3000108.8C493C493-N495 PolarHBondContact O-N 2.75Å
496W27.9Very low33.7Very low217 Ų217140.3 Ų140.382%0.82280%0.803SS**  trans-128.794.4168.6-76.1105.6000110.1
497Q30.7Very low33.1Very low166 Ų166139.3 Ų139.378%0.77680%0.798SS**  trans-83129.4156.5-67.9-169.51.300109.3
498Q29.3Very low32.7Very low175 Ų175139.3 Ų139.382%0.81879%0.794SS**  trans-130.2139.5154.3-69.4-167.212.400109.2
499S25.3Very low31.7Very low105 Ų105143.8 Ų143.873%0.73479%0.794SS**  trans-106.9175.7176.8-450000109.5
500P37.7Very low30.8Very low126 Ų126146.4 Ų146.482%0.81879%0.788SS**  -129.6160.4-55.936.3-22.7000113
501G27.1Very low30.1Very low87 Ų87147.1 Ų147.190%0.89778%0.784SS**  trans90.3108150.600000118.3
502G25.2Very low29.6Very low70 Ų70143.4 Ų143.472%0.72278%0.779SS**  trans-177.751.8177.400000117.3
503H27.2Very low30.1Very low194 Ų194141 Ų14190%0.89878%0.778SS**  trans73.9150.5165.1-62.4-85.5000121.6
504A27.7Very low29.9Very low97 Ų97140.2 Ų140.280%0.80277%0.774SS**  trans77.485166.300000120.7
505L32.5Very low29.6Very low167 Ų167140.1 Ų140.187%0.87477%0.773SS**  13.3158.4128.9-66.1173.4000121.7
506P42.2Very low29.6Very low106 Ų106141.2 Ų141.269%0.68879%0.785SS**  cis-138.7161.24.227.1-2.5000118.9
507L30.8Very low29.6Very low147 Ų147139.8 Ų139.877%0.7779%0.787SS**  trans51.8109.1136.4-61166.8000123.9
508Q28.5Very low29.4Very low176 Ų176143.2 Ų143.282%0.82279%0.793SS**  62.890.4108.6-145.5173.529.900121.9
509R26Very low29.3Very low202 Ų202139.6 Ų139.676%0.76279%0.787SS**  27.7120.4125.8-143.1-161.6-166.9-1688.5120.7
510R25.9Very low29.5Very low180 Ų180145.2 Ų145.268%0.67979%0.792SS**  trans91.3140.3134.6-122.6-166.7-119.4-101.23.2121.3
511L26.2Very low29Very low135 Ų135147.5 Ų147.571%0.70779%0.792SS**  trans78.494.1155.4-57.5176.6000119.9
512S25.9Very low29Very low108 Ų108150.1 Ų150.176%0.75579%0.785SS**  58.2166.9110.579.30000119.4
513P45.2Very low29.2Very low120 Ų120151.4 Ų151.478%0.77978%0.779SS**  -118.8160.6-120.434.8-16.7000115.5
514S25.3Very low29.3Very low102 Ų102150.7 Ų150.771%0.71378%0.776SS**  trans-165.2139.7150.6-119.40000112.5
515D26Very low29.3Very low138 Ų138150.3 Ų150.374%0.73877%0.767SS**  trans40.8132.4142.5-51.6-58.9000121.9
516T28.7Very low29Very low147 Ų147153.2 Ų153.290%0.90277%0.767SS**  trans-139.999.3149-41.40000110.8
517Q28.8Very low28.1Very low188 Ų188154.2 Ų154.288%0.87977%0.771SS**  trans-89.7129.3172.6-169.7-176.620.500109.6
518R25.6Very low28.1Very low237 Ų237152 Ų15289%0.89477%0.767SS**  trans-145.8104.7161.1-124.5179-174.4-1292.4107.2
519S27.5Very low28.1Very low99 Ų99148.9 Ų148.969%0.69276%0.76SS**  75.9132.591.1-147.50000111.2
520R30.6Very low28.2Very low224 Ų224145.3 Ų145.385%0.84577%0.767SS**  cis-158.5-177.719.9-156.3172.9179.2172.9-0.7110.7
521E26.2Very low28.2Very low174 Ų174139.7 Ų139.781%0.81377%0.765SS**  trans86.7140.2167.1-63.3177.8-157.900117.2
522N27.3Very low28.4Very low142 Ų142141.2 Ų141.276%0.75977%0.772SS**  cis-160.6154.9-27.9-152.210.1000110.5
523V30.1Very low28.5Very low96 Ų96142.2 Ų142.258%0.58277%0.774SS**  trans67.7126149.2163.60000121.5
524Q29.1Very low27.7Very low179 Ų179147.3 Ų147.384%0.83678%0.778SS**  trans63.1151.2153.4-73.9159.8-3.200120
525S26.5Very low28Very low89 Ų89153.8 Ų153.862%0.62279%0.787SS**  cis-172.4158.1-23.355.90000110.5
526R26.3Very low28Very low229 Ų229159 Ų15986%0.86480%0.796SS**  trans64.4110.9155.7-75.7175.4165.5-168.3-6.8117
527V24.2Very low28Very low127 Ų127156.8 Ų156.877%0.7779%0.787SS**  89.2125.375159.80000112.4
528S29.5Very low27.9Very low100 Ų100154.3 Ų154.370%0.69978%0.784SS**  trans69.6142.2160.3-78.50000119.5
529T29.2Very low28.1Very low110 Ų110148 Ų14868%0.67578%0.776SS**  cis158.7137.3-26.1330000105.5
530S27.8Very low28.1Very low128 Ų128148.2 Ų148.290%0.89578%0.778SS**  trans66.8142.8156.2-52.80000117.7
531G25.6Very low28.1Very low62 Ų62142.7 Ų142.764%0.63977%0.773SS**  cis153161.6-4.500000111.4
532L30.2Very low28.2Very low166 Ų166140.2 Ų140.287%0.86978%0.775SS**  trans64.8124.6167.7-46.5168.4000114.6
533T30Very low28.5Very low129 Ų129141.4 Ų141.479%0.79178%0.781SS**  -177.7153.36732.50000113
534R27.5Very low29.5Very low227 Ų227142.7 Ų142.786%0.85779%0.791SS**  trans58107.9135-173.6172.7-83.9-146.4-3.5121.3
535R30.7Very low29.4Very low239 Ų239139.9 Ų139.990%0.90279%0.791SS**  trans-8.3130.7137.6-66.2174.9160.8-163.4-6.2117.8
536R27Very low29.6Very low248 Ų248143.1 Ų143.194%0.93680%0.802SS**  -160.2173.1123.8-125.9176.6165.1139.5-3.2112.5
537S28.5Very low29.8Very low100 Ų100141 Ų14170%0.69980%0.801SS**  trans-115175.3-154.8-41.50000114.2
538V27.7Very low30.6Very low135 Ų135139.7 Ų139.782%0.81880%0.795SS**  trans76.1134.3153.3-610000122
539S28.2Very low30.9Very low105 Ų105139.8 Ų139.873%0.73480%0.802SS**  trans99.9109143.4-62.50000121.6
540S28.3Very low31.6Very low104 Ų104142.5 Ų142.573%0.72781%0.812SS**  trans69.6114.513060.50000122.7
541S30.7Very low32.7Very low107 Ų107144.2 Ų144.275%0.74881%0.81SS**  trans53.6110.3134.663.10000121.4
542S28.4Very low34.5Very low123 Ų123144.8 Ų144.886%0.8680%0.803SS**  177.5151.1104.437.20000112.2
543L33.1Very low36.5Very low167 Ų167140.3 Ų140.387%0.87479%0.785SS**  trans-84.4176.8170.5-63.2167.3000109.6
544P50.3Low38.4Very low122 Ų122138.8 Ų138.879%0.79278%0.778SS**  cis-130.7169.9-5.539.2-24000114.5
545S27Very low40.7Very low120 Ų120131.3 Ų131.384%0.83976%0.764SS**  trans-159.9150.2140.8-1590000111.7
546N32Very low43.2Very low158 Ų158122.5 Ų122.585%0.84574%0.742SS**  trans-89139178.1-63.7-56.4000111
547E30.1Very low46.1Very low184 Ų184115.2 Ų115.286%0.8672%0.72SS**  trans-164.8157.8153-103.3-94.1108.800108.1
548P41.2Very low48.9Very low99 Ų99115.7 Ų115.764%0.64371%0.714SS**  trans-80.3155.8-152.730.9-36000114.7L550P548-L550 PolarHBondContact O-N 2.84Å
549A35.7Very low51.7Low102 Ų102111.9 Ų111.984%0.84370%0.697SS**  trans-65.2100.3177.700000111.9L551A549-L551 PolarHBondContact O-N 3.47Å
550L42.9Very low54.7Low168 Ų168112.5 Ų112.588%0.8869%0.688SS**PPolyproline II helixtrans-61.6121.4159.3-77.8163.1000108.6P548P548-L550 PolarHBondContact O-N 2.84Å
551L51.8Low57.7Low163 Ų163111.9 Ų111.985%0.85368%0.676SS**PPolyproline II helixtrans-54.1129.6173.3-75.5161.2000109.5A549 S553A549-L551 PolarHBondContact O-N 3.47Å; L551-S553 PolarHBondContact O-N 3.38Å
552P62.9Low60.6Low75 Ų75111.2 Ų111.249%0.48767%0.668SS.*PPolyproline II helixtrans-61.9129.5176.225.2-32.5000109.3M557P552-M557 HydrophobicContact CG-CE 4.42Å
553S71.8Confident63.6Low71 Ų71108.8 Ų108.850%0.49764%0.643SS.*PPolyproline II helixtrans-49.8141.6174.9169.50000110.4L551 A555 A556 M557L551-S553 PolarHBondContact O-N 3.38Å; S553-A555 PolarHBondContact O-N 3.45Å; S553-A556 WeakPolarHBondContact O-CA 3.26Å; S553-A556 WeakPolarHBondContact O-CB 3.4Å; S553-A556 PolarHBondContact O-N 2.83Å; S553-M557 PolarHBondContact O-N 2.84Å; S553-M557 VanDerWaalsContact O-N 3.13Å
554P69.9Low66.5Low98 Ų98104.8 Ų104.864%0.63662%0.621SS**Hα-helixtrans-55.3-28.3-179.321-33.4000113L558P554-L558 WeakPolarHBondContact O-CB 3.39Å; P554-L558 VanDerWaalsContact O-CG 3.28Å; P554-L558 WeakPolarHBondContact O-CG 3.46Å; P554-L558 PolarHBondContact O-N 3.33Å
555A76.6Confident68.6Low69 Ų69105.6 Ų105.657%0.5761%0.612SS**Hα-helixtrans-67.4-36.4173.300000113.4S553 A559S553-A555 PolarHBondContact O-N 3.45Å; A555-A559 WeakPolarHBondContact O-CB 3.39Å; A555-A559 PolarHBondContact O-N 3.17Å
556A82.6Confident71.7Confident54 Ų54106.1 Ų106.145%0.44660%0.596SS.*Hα-helixtrans-71.5-41176.400000111.4S553 A559 E560S553-A556 WeakPolarHBondContact O-CA 3.26Å; S553-A556 WeakPolarHBondContact O-CB 3.4Å; S553-A556 PolarHBondContact O-N 2.83Å; A556-A559 WeakPolarHBondContact O-CB 3.37Å; A556-A559 PolarHBondContact O-N 2.86Å; A556-E560 PolarHBondContact O-N 2.95Å
557M87.9Confident74.7Confident95 Ų95102.4 Ų102.447%0.46857%0.574SS.*Hα-helixtrans-62-42.5174.3-171.6-174-6400111.7P552 S553 E560 I561P552-M557 HydrophobicContact CG-CE 4.42Å; S553-M557 PolarHBondContact O-N 2.84Å; S553-M557 VanDerWaalsContact O-N 3.13Å; M557-E560 PolarHBondContact O-N 2.74Å; M557-I561 HydrophobicContact CG-CD1 4.09Å; M557-I561 WeakPolarHBondContact O-CD1 3.41Å; M557-I561 VanDerWaalsContact O-CG1 3.25Å; M557-I561 WeakPolarHBondContact O-CG1 3.25Å; M557-I561 PolarHBondContact O-N 2.88Å
558L88.5Confident77.8Confident110 Ų11097.7 Ų97.758%0.57655%0.554SS**Hα-helixtrans-64.9-39.5174.6-73.3170.4000112.2P554 I561 T562P554-L558 WeakPolarHBondContact O-CB 3.39Å; P554-L558 VanDerWaalsContact O-CG 3.28Å; P554-L558 WeakPolarHBondContact O-CG 3.46Å; P554-L558 PolarHBondContact O-N 3.33Å; L558-I561 PolarHBondContact O-N 2.91Å; L558-T562 WeakPolarHBondContact O-CG2 3.45Å; L558-T562 PolarHBondContact O-N 3.47Å; L558-T562 PolarHBondContact O-OG1 3.35Å
559A85.5Confident80.3Confident55 Ų5596.3 Ų96.346%0.45554%0.541SS..Hα-helixtrans-61.2-4517400000111.7A555 A556 T562 E563A555-A559 WeakPolarHBondContact O-CB 3.39Å; A555-A559 PolarHBondContact O-N 3.17Å; A556-A559 WeakPolarHBondContact O-CB 3.37Å; A556-A559 PolarHBondContact O-N 2.86Å; A559-T562 WeakPolarHBondContact CA-OG1 3.49Å; A559-T562 PolarHBondContact O-N 2.77Å; A559-T562 PolarHBondContact O-OG1 2.8Å; A559-E563 PolarHBondContact O-N 2.69Å
560E90.9Very high83Confident119 Ų11995.5 Ų95.556%0.55652%0.523SS*.Hα-helixtrans-61.4-43.8175.2-173.3173.9-171.500112A556 M557 T562 E563 L564A556-E560 PolarHBondContact O-N 2.95Å; M557-E560 PolarHBondContact O-N 2.74Å; E560-T562 VanDerWaalsContact C-N 3.33Å; E560-T562 PolarHBondContact O-N 3.41Å; E560-E563 PolarHBondContact O-N 2.58Å; E560-L564 HydrophobicContact CG-CD1 4.02Å; E560-L564 HydrophobicContact CG-CG 4.43Å; E560-L564 WeakPolarHBondContact O-CB 3.24Å; E560-L564 WeakPolarHBondContact O-CG 3.49Å; E560-L564 PolarHBondContact O-N 2.89Å
561I91.6Very high85.3Confident91 Ų9191.6 Ų91.647%0.46750%0.502SS..Hα-helixtrans-60-41.6173.9-69.9163.2000111.2M557 L558 K565M557-I561 HydrophobicContact CG-CD1 4.09Å; M557-I561 WeakPolarHBondContact O-CD1 3.41Å; M557-I561 VanDerWaalsContact O-CG1 3.25Å; M557-I561 WeakPolarHBondContact O-CG1 3.25Å; M557-I561 PolarHBondContact O-N 2.88Å; L558-I561 PolarHBondContact O-N 2.91Å; I561-K565 VanDerWaalsContact O-CB 3.28Å; I561-K565 WeakPolarHBondContact O-CB 3.44Å; I561-K565 PolarHBondContact O-N 3.21Å
562T91.2Very high87.1Confident93 Ų9389.7 Ų89.757%0.57149%0.487SS*.Hα-helixtrans-67.2-37177.256.50000112.9L558 A559 E560 K565 R566L558-T562 WeakPolarHBondContact O-CG2 3.45Å; L558-T562 PolarHBondContact O-N 3.47Å; L558-T562 PolarHBondContact O-OG1 3.35Å; A559-T562 WeakPolarHBondContact CA-OG1 3.49Å; A559-T562 PolarHBondContact O-N 2.77Å; A559-T562 PolarHBondContact O-OG1 2.8Å; E560-T562 VanDerWaalsContact C-N 3.33Å; E560-T562 PolarHBondContact O-N 3.41Å; T562-K565 PolarHBondContact O-N 2.91Å; T562-R566 WeakPolarHBondContact O-CB 3.26Å; T562-R566 PolarHBondContact O-N 3.21Å
563E93.1Very high88.1Confident72 Ų7288 Ų8834%0.33648%0.479SS..Hα-helixtrans-72.1-42.6176.9177.252.6-154.700111.6A559 E560 K565 R566 Q567A559-E563 PolarHBondContact O-N 2.69Å; E560-E563 PolarHBondContact O-N 2.58Å; E563-K565 VanDerWaalsContact C-N 3.29Å; E563-K565 PolarHBondContact O-N 3Å; E563-R566 WeakPolarHBondContact O-CB 3.39Å; E563-R566 PolarHBondContact O-N 3Å; E563-R566 IonicContact OE1-CZ 3.8Å; E563-R566 IonicContact OE1-NE 2.69Å; E563-R566 PolarHBondContact OE1-NE 3.32Å; E563-R566 IonicContact OE1-NH2 3.45Å; E563-R566 PolarHBondContact OE1-NH2 3.25Å; E563-R566 IonicContact OE2-CZ 2.6Å; E563-R566 IonicContact OE2-NE 2.58Å; E563-R566 PolarHBondContact OE2-NE 2.92Å; E563-R566 IonicContact OE2-NH2 2.63Å; E563-Q567 WeakPolarHBondContact O-CG 3.48Å; E563-Q567 PolarHBondContact O-N 3.29Å; E563-Q567 PolarHBondContact OE1-NE2 3.33Å
564L93.6Very high88.9Confident82 Ų8290 Ų9043%0.42948%0.48SS..Hα-helixtrans-62.2-35.5172.6-73.3171.9000112.2E560 N568E560-L564 HydrophobicContact CG-CD1 4.02Å; E560-L564 HydrophobicContact CG-CG 4.43Å; E560-L564 WeakPolarHBondContact O-CB 3.24Å; E560-L564 WeakPolarHBondContact O-CG 3.49Å; E560-L564 PolarHBondContact O-N 2.89Å; L564-N568 WeakPolarHBondContact O-CB 3.34Å; L564-N568 PolarHBondContact O-N 2.9Å; L564-N568 PolarHBondContact O-ND2 3.07Å
565K93Very high89.5Confident139 Ų13990.7 Ų90.760%0.60448%0.478SS*.Hα-helixtrans-64.7-48.1172.5-174.4176.8-179.9-179.80111I561 T562 E563 Q567 N568 D569I561-K565 VanDerWaalsContact O-CB 3.28Å; I561-K565 WeakPolarHBondContact O-CB 3.44Å; I561-K565 PolarHBondContact O-N 3.21Å; T562-K565 PolarHBondContact O-N 2.91Å; E563-K565 VanDerWaalsContact C-N 3.29Å; E563-K565 PolarHBondContact O-N 3Å; K565-Q567 VanDerWaalsContact C-N 3.29Å; K565-Q567 PolarHBondContact O-N 2.92Å; K565-N568 PolarHBondContact O-N 3.14Å; K565-D569 PolarHBondContact O-N 3.48Å
566R93.1Very high89.4Confident131 Ų13190.7 Ų90.749%0.49447%0.474SS..Hα-helixtrans-57.3-40.8175.8-167.7-163.668.673.72.5112.1T562 E563 L570T562-R566 WeakPolarHBondContact O-CB 3.26Å; T562-R566 PolarHBondContact O-N 3.21Å; E563-R566 WeakPolarHBondContact O-CB 3.39Å; E563-R566 PolarHBondContact O-N 3Å; E563-R566 IonicContact OE1-CZ 3.8Å; E563-R566 IonicContact OE1-NE 2.69Å; E563-R566 PolarHBondContact OE1-NE 3.32Å; E563-R566 IonicContact OE1-NH2 3.45Å; E563-R566 PolarHBondContact OE1-NH2 3.25Å; E563-R566 IonicContact OE2-CZ 2.6Å; E563-R566 IonicContact OE2-NE 2.58Å; E563-R566 PolarHBondContact OE2-NE 2.92Å; E563-R566 IonicContact OE2-NH2 2.63Å; R566-L570 WeakPolarHBondContact O-CB 3.49Å; R566-L570 PolarHBondContact O-N 3.37Å; R566-L570 VanDerWaalsContact O-N 3.07Å
567Q95.4Very high88.9Confident81 Ų8194 Ų9438%0.37948%0.48SS..Hα-helixtrans-67.7-43.3175.9-70.2175.814.800112.2E563 K565 D569 L570 I571E563-Q567 WeakPolarHBondContact O-CG 3.48Å; E563-Q567 PolarHBondContact O-N 3.29Å; E563-Q567 PolarHBondContact OE1-NE2 3.33Å; K565-Q567 VanDerWaalsContact C-N 3.29Å; K565-Q567 PolarHBondContact O-N 2.92Å; Q567-D569 VanDerWaalsContact C-N 3.35Å; Q567-D569 PolarHBondContact O-N 3.05Å; Q567-L570 PolarHBondContact O-N 2.88Å; Q567-I571 WeakPolarHBondContact O-CG1 3.2Å; Q567-I571 PolarHBondContact O-N 3.4Å
568N95.3Very high87.7Confident84 Ų8492.4 Ų92.445%0.44948%0.482SS..Hα-helixtrans-61.4-41.5174.7-88.5-76000112.5L564 K565 L570 I571 K572L564-N568 WeakPolarHBondContact O-CB 3.34Å; L564-N568 PolarHBondContact O-N 2.9Å; L564-N568 PolarHBondContact O-ND2 3.07Å; K565-N568 PolarHBondContact O-N 3.14Å; N568-L570 VanDerWaalsContact C-N 3.35Å; N568-I571 PolarHBondContact O-N 3.03Å; N568-K572 VanDerWaalsContact O-CG 3.31Å; N568-K572 WeakPolarHBondContact O-CG 3.31Å; N568-K572 PolarHBondContact O-N 2.98Å
569D92.9Very high86.7Confident70 Ų7095.4 Ų95.437%0.37449%0.49SS..Hα-helixtrans-70.8-32179.8-65.5-24.8000111.7K565 Q567 K572 A573K565-D569 PolarHBondContact O-N 3.48Å; Q567-D569 VanDerWaalsContact C-N 3.35Å; Q567-D569 PolarHBondContact O-N 3.05Å; D569-K572 PolarHBondContact O-N 2.78Å; D569-K572 IonicContact OD1-NZ 3.78Å; D569-K572 PolarHBondContact OD1-NZ 3.32Å; D569-A573 WeakPolarHBondContact O-CB 3.45Å; D569-A573 PolarHBondContact O-N 3.26Å
570L93.1Very high85.2Confident86 Ų8697.1 Ų97.145%0.4550%0.499SS..Hα-helixtrans-64.3-43.7168.4-179.562.2000112.3R566 Q567 N568 A573 Q574R566-L570 WeakPolarHBondContact O-CB 3.49Å; R566-L570 PolarHBondContact O-N 3.37Å; R566-L570 VanDerWaalsContact O-N 3.07Å; Q567-L570 PolarHBondContact O-N 2.88Å; N568-L570 VanDerWaalsContact C-N 3.35Å; L570-A573 PolarHBondContact O-N 2.88Å; L570-Q574 WeakPolarHBondContact O-CG 3.26Å; L570-Q574 PolarHBondContact O-N 3.47Å
571I91.1Very high83.3Confident86 Ų8699 Ų9944%0.44151%0.512SS..Hα-helixtrans-63.7-42.8176.4-68.4163.6000110.6Q567 N568 A573 Q574 L575Q567-I571 WeakPolarHBondContact O-CG1 3.2Å; Q567-I571 PolarHBondContact O-N 3.4Å; N568-I571 PolarHBondContact O-N 3.03Å; I571-A573 VanDerWaalsContact C-N 3.33Å; I571-A573 PolarHBondContact O-N 3.4Å; I571-Q574 PolarHBondContact O-N 3.33Å; I571-L575 HydrophobicContact CG2-CD1 3.94Å; I571-L575 HydrophobicContact CG2-CG 4.38Å; I571-L575 WeakPolarHBondContact O-CB 3.41Å; I571-L575 VanDerWaalsContact O-CG 3.32Å; I571-L575 WeakPolarHBondContact O-CG 3.33Å; I571-L575 PolarHBondContact O-N 3.42Å
572K89.8Confident81.3Confident123 Ų12397.7 Ų97.754%0.53552%0.521SS..Hα-helixtrans-60.8-41.2174.5-71.2170.9-164159.60112N568 D569 L575 S576N568-K572 VanDerWaalsContact O-CG 3.31Å; N568-K572 WeakPolarHBondContact O-CG 3.31Å; N568-K572 PolarHBondContact O-N 2.98Å; D569-K572 PolarHBondContact O-N 2.78Å; D569-K572 IonicContact OD1-NZ 3.78Å; D569-K572 PolarHBondContact OD1-NZ 3.32Å; K572-L575 PolarHBondContact O-N 3.36Å; K572-S576 PolarHBondContact O-N 2.78Å; K572-S576 PolarHBondContact O-OG 2.96Å
573A83.1Confident78.9Confident39 Ų3998.3 Ų98.332%0.32253%0.529SS..Hα-helixtrans-64.7-41.617600000112.3D569 L570 I571 S576 Q577D569-A573 WeakPolarHBondContact O-CB 3.45Å; D569-A573 PolarHBondContact O-N 3.26Å; L570-A573 PolarHBondContact O-N 2.88Å; I571-A573 VanDerWaalsContact C-N 3.33Å; I571-A573 PolarHBondContact O-N 3.4Å; A573-S576 PolarHBondContact O-N 2.88Å; A573-S576 PolarHBondContact O-OG 2.89Å; A573-Q577 VanDerWaalsContact O-CG 3.29Å; A573-Q577 WeakPolarHBondContact O-CG 3.42Å; A573-Q577 PolarHBondContact O-N 2.97Å; A573-Q577 VanDerWaalsContact O-N 3.07Å
574Q89.2Confident76.1Confident113 Ų11398.5 Ų98.553%0.52855%0.55SS.*Hα-helixtrans-64.6-41.1174.5-71.7174.4-10.200111.9L570 I571 Q577 A578L570-Q574 WeakPolarHBondContact O-CG 3.26Å; L570-Q574 PolarHBondContact O-N 3.47Å; I571-Q574 PolarHBondContact O-N 3.33Å; Q574-Q577 PolarHBondContact O-N 3.29Å; Q574-A578 WeakPolarHBondContact O-CB 3.33Å; Q574-A578 PolarHBondContact O-N 2.92Å
575L82.3Confident73.6Confident112 Ų112101.6 Ų101.659%0.58657%0.567SS**Hα-helixtrans-67.7-35.7176.3-71.3173.4000112.4I571 K572 A578 K579I571-L575 HydrophobicContact CG2-CD1 3.94Å; I571-L575 HydrophobicContact CG2-CG 4.38Å; I571-L575 WeakPolarHBondContact O-CB 3.41Å; I571-L575 VanDerWaalsContact O-CG 3.32Å; I571-L575 WeakPolarHBondContact O-CG 3.33Å; I571-L575 PolarHBondContact O-N 3.42Å; K572-L575 PolarHBondContact O-N 3.36Å; L575-A578 PolarHBondContact O-N 3.4Å; L575-K579 WeakPolarHBondContact O-CB 3.18Å; L575-K579 PolarHBondContact O-N 2.89Å
576S74.2Confident70.8Confident70 Ų7099.9 Ų99.949%0.4958%0.579SS.*Hα-helixtrans-68-40.3175.468.60000111.8K572 A573 K579 S580K572-S576 PolarHBondContact O-N 2.78Å; K572-S576 PolarHBondContact O-OG 2.96Å; A573-S576 PolarHBondContact O-N 2.88Å; A573-S576 PolarHBondContact O-OG 2.89Å; S576-K579 PolarHBondContact O-N 3.45Å; S576-K579 VanDerWaalsContact O-N 3.13Å; S576-S580 PolarHBondContact O-N 3.38Å; S576-S580 PolarHBondContact O-OG 3.35Å
577Q71.6Confident68.2Low124 Ų12496.2 Ų96.258%0.57958%0.583SS**Hα-helixtrans-62.4-42.7173.2-70.5172.316.500112.2A573 Q574 K579 S580 L581A573-Q577 VanDerWaalsContact O-CG 3.29Å; A573-Q577 WeakPolarHBondContact O-CG 3.42Å; A573-Q577 PolarHBondContact O-N 2.97Å; A573-Q577 VanDerWaalsContact O-N 3.07Å; Q574-Q577 PolarHBondContact O-N 3.29Å; Q577-K579 VanDerWaalsContact C-N 3.27Å; Q577-K579 PolarHBondContact O-N 3.45Å; Q577-S580 WeakPolarHBondContact CA-OG 3.24Å; Q577-S580 PolarHBondContact O-N 2.89Å; Q577-S580 PolarHBondContact O-OG 3.48Å; Q577-L581 PolarHBondContact O-N 2.89Å
578A63.3Low65.2Low60 Ų60101.1 Ų101.150%0.49661%0.61SS.*Hα-helixtrans-63.5-33.4173.200000112.3Q574 L575 L581 G582Q574-A578 WeakPolarHBondContact O-CB 3.33Å; Q574-A578 PolarHBondContact O-N 2.92Å; L575-A578 PolarHBondContact O-N 3.4Å; A578-L581 PolarHBondContact O-N 3.29Å; A578-G582 PolarHBondContact O-N 2.97Å
579K67.6Low62.2Low173 Ų173101.6 Ų101.675%0.75263%0.626SS**Hα-helixtrans-74.3-33.4179-145.8164.7-172.9178.60112.8L575 S576 Q577 L581 G582L575-K579 WeakPolarHBondContact O-CB 3.18Å; L575-K579 PolarHBondContact O-N 2.89Å; S576-K579 PolarHBondContact O-N 3.45Å; S576-K579 VanDerWaalsContact O-N 3.13Å; Q577-K579 VanDerWaalsContact C-N 3.27Å; Q577-K579 PolarHBondContact O-N 3.45Å; K579-L581 VanDerWaalsContact C-N 3.27Å; K579-L581 PolarHBondContact O-N 3.28Å; K579-G582 PolarHBondContact O-N 2.87Å
580S53.6Low59.3Low92 Ų92106.6 Ų106.664%0.64365%0.653SS**Hα-helixtrans-67.3-23.617145.10000114S576 Q577S576-S580 PolarHBondContact O-N 3.38Å; S576-S580 PolarHBondContact O-OG 3.35Å; Q577-S580 WeakPolarHBondContact CA-OG 3.24Å; Q577-S580 PolarHBondContact O-N 2.89Å; Q577-S580 PolarHBondContact O-OG 3.48Å
581L52.5Low56.2Low157 Ų157105.7 Ų105.782%0.82266%0.664SS**THydrogen-bonded Turntrans-87.6-8176.7-73.7162.9000113.7Q577 A578 K579Q577-L581 PolarHBondContact O-N 2.89Å; A578-L581 PolarHBondContact O-N 3.29Å; K579-L581 VanDerWaalsContact C-N 3.27Å; K579-L581 PolarHBondContact O-N 3.28Å
582G48.2Very low53.3Low64 Ų64112.7 Ų112.766%0.6669%0.685SS**SBendtrans-101.13.2-176.600000115.8A578 K579 G584A578-G582 PolarHBondContact O-N 2.97Å; K579-G582 PolarHBondContact O-N 2.87Å; G582-G584 PolarHBondContact O-N 2.96Å
583S41.1Very low50.4Low106 Ų106112.8 Ų112.874%0.74169%0.691SS**  trans-96.470.6-171.7-167.80000112.9
584G34Very low47.9Very low76 Ų76117.8 Ų117.878%0.78471%0.708SS**  trans-82.5127.8161.100000110.4G582G582-G584 PolarHBondContact O-N 2.96Å
585D41.7Very low45.1Very low147 Ų147122.7 Ų122.779%0.78672%0.722SS**  trans-84.3148.4-161.3-178.739.3000116
586A35Very low42.6Very low103 Ų103121.7 Ų121.785%0.85172%0.724SS**  trans174.6113.7149.200000109.8
587G37.2Very low40.6Very low55 Ų55127.9 Ų127.957%0.56774%0.742SS**  cis152.6143.5-7.400000110.7
588L33.4Very low38.5Very low183 Ų183127.5 Ų127.596%0.95875%0.753SS**  trans-174.895.7156.6-110.2164.3000112.2
589A31.3Very low36.6Very low94 Ų94127.9 Ų127.978%0.77776%0.763SS**  trans-158.5114.3155.100000110.5
590D32.7Very low35.5Very low176 Ų176125.6 Ų125.694%0.94177%0.766SS**  trans46.4156.9154-86.6-42.7000124.5
591G28.2Very low34.3Very low66 Ų66125.8 Ų125.868%0.6877%0.773SS**  trans116.850.8137.200000120.1
592R29.7Very low33.1Very low233 Ų233124 Ų12488%0.87977%0.773SS**  trans29.9134.6136.8-148.5-174.5-173.7-164.62.9120.8
593N29.8Very low32.1Very low126 Ų126124.1 Ų124.167%0.67478%0.775SS**  trans107.9132.1146.9-96.721.9000121.9
594E30.2Very low31.5Very low143 Ų143124.6 Ų124.667%0.66879%0.785SS**  trans75.5102.1147.2-68.2-53.7125.200123.3
595R29.7Very low31.3Very low217 Ų217124.5 Ų124.582%0.81978%0.784SS**  100.6132.8117.1-141.2-179.3-169.2-143.14120.4
596S30.7Very low30.7Very low90 Ų90124.6 Ų124.663%0.62978%0.78SS**  trans80.8114.9162.9-500000116.6
597K31.2Very low30.5Very low200 Ų200130.1 Ų130.187%0.8778%0.779SS**  57.1126.796.1-61.9174.2179.4-177.30112.8
598S28.6Very low30.1Very low117 Ų117135.7 Ų135.782%0.81879%0.787SS**  cis-167.8157.95.141.50000109.2
599G23Very low29.9Very low68 Ų68134.6 Ų134.670%0.70178%0.779SS**  trans-78.7-155.216700000112.6
600P44.3Very low29.7Very low125 Ų125137.2 Ų137.281%0.81279%0.786SS**  cis-145.2-176.9-2.843.7-25.9000116.2
601A28.1Very low29.7Very low95 Ų95135.4 Ų135.479%0.78578%0.781SS**  trans66.2166.3150.200000118.4
602S27.8Very low29.8Very low120 Ų120141.4 Ų141.484%0.83979%0.791SS**  cis-160.1168.65-157.80000112.3
603G27.4Very low29.5Very low67 Ų67137.9 Ų137.969%0.69178%0.784SS**  trans84.4119.2157.900000116.4
604A28.3Very low29.6Very low115 Ų115137.8 Ų137.895%0.9578%0.783SS**  cis87.2129.829.700000115.8
605G29.9Very low29.6Very low75 Ų75139.4 Ų139.477%0.77379%0.791SS**  trans121.386.1178.800000112.6
606E28.1Very low29.4Very low149 Ų149134.6 Ų134.670%0.69679%0.79SS**  64.6127.370.8-79.5-140.3150.600117.8
607R31.9Very low30.1Very low219 Ų219135.3 Ų135.383%0.82679%0.793SS**  trans78.8154.7157.7-60.1153.8-161.7-162.75.6118.4
608K28.1Very low29.8Very low171 Ų171134.7 Ų134.774%0.74379%0.793SS**  cis-173.6130-28.1176.2178.3176.3-175.40109.3
609M29.1Very low29.8Very low161 Ų161132.5 Ų132.579%0.79379%0.789SS**  trans48.5134158.9-68.1178.9164.700121.6
610T27.4Very low30.1Very low149 Ų149135.8 Ų135.891%0.91480%0.796SS**  -165.7163.1108.117.50000111.5
611V31.4Very low29.5Very low137 Ų137135.1 Ų135.183%0.8379%0.794SS**  trans-135.8123.8-173.4172.20000110.2
612Q30.1Very low29.6Very low193 Ų193135.9 Ų135.990%0.90279%0.793SS**  trans-154.3132.1156.7-57.5-169.744.300105.5
613H24.2Very low29.8Very low158 Ų158134.7 Ų134.773%0.73179%0.791SS**  cis100.392.828.2-16278.7000114.9
614L32.7Very low30.1Very low124 Ų124137.5 Ų137.565%0.64980%0.8SS**  trans70138.1149.7-75.1-171.8000123.9
615Q28.7Very low30.3Very low178 Ų178141.2 Ų141.283%0.83280%0.798SS**  trans97.2128.7146-75.3162.321.600121.8
616S26.6Very low30.3Very low116 Ų116142 Ų14281%0.81180%0.797SS**  trans-71.3171.4165.6-1280000110.9
617P44.9Very low30.8Very low104 Ų104141.4 Ų141.468%0.67580%0.803SS**  cis-151177.637.341.2-18.4000120
618E25.2Very low30.9Very low187 Ų187135.9 Ų135.987%0.87480%0.798SS**  trans58.8125.5145.7-76174.4143.100125.6
619G27.6Very low31.5Very low72 Ų72133.3 Ų133.374%0.74280%0.802SS**  trans81.6142.4149.500000118.5
620T30.9Very low32.3Very low137 Ų137130.7 Ų130.784%0.8480%0.799SS**  cis-161.7152-8.816.70000110.3
621S31.8Very low33.3Very low111 Ų111129.6 Ų129.678%0.77679%0.793SS**  trans75.3137.3154760000122.5
622S30.1Very low34.9Very low110 Ų110126.6 Ų126.677%0.76978%0.776SS**  trans97.983.1145.1-57.90000121.1
623A30.4Very low37Very low95 Ų95120.8 Ų120.879%0.78576%0.756SS**  48.9109.8124.400000121
624S34.1Very low39.9Very low127 Ų127119.2 Ų119.289%0.88876%0.758SS**  -159.5115.2123.7-820000109.8A626S624-A626 PolarHBondContact O-N 3.32Å
625Q33.5Very low42.4Very low193 Ų193120 Ų12090%0.90276%0.758SS**  trans-80116.5175.2-77.9179.8-5.800110.4
626A30Very low45.3Very low92 Ų92117.2 Ų117.276%0.7675%0.745SS**  trans-126.9106.2154.800000107.1S624 S628S624-A626 PolarHBondContact O-N 3.32Å; A626-S628 PolarHBondContact O-N 3.07Å
627V37.6Very low48.4Very low135 Ų135120.1 Ų120.182%0.81874%0.738SS**  trans-76.294.4-174.7-179.30000109.3
628S33.9Very low50.7Low103 Ų103121 Ų12172%0.7274%0.737SS**  trans-92.2114.4161.451.70000108.7A626 S630A626-S628 PolarHBondContact O-N 3.07Å; S628-S630 VanDerWaalsContact C-N 3.29Å; S628-S630 PolarHBondContact O-N 2.85Å
629S42.1Very low54Low117 Ų117117.5 Ų117.582%0.81872%0.723SS**  trans-73.580.4178.556.70000110.5T631S629-T631 PolarHBondContact O-N 3.04Å
630S45.8Very low57.1Low107 Ų107117.2 Ų117.275%0.74870%0.703SS**  trans-69.9112.9167.250.90000109.2S628S628-S630 VanDerWaalsContact C-N 3.29Å; S628-S630 PolarHBondContact O-N 2.85Å
631T48.4Very low60.1Low126 Ų126115.6 Ų115.677%0.77369%0.688SS**PPolyproline II helixtrans-57.3125.8164.449.20000108S629 S633S629-T631 PolarHBondContact O-N 3.04Å; T631-S633 PolarHBondContact O-N 2.99Å
632P64.2Low63.1Low74 Ų74115.2 Ų115.248%0.48168%0.678SS.*PPolyproline II helixtrans-59.8133.4178.624.9-33.3000108.8Q636P632-Q636 HydrophobicContact CB-CB 4.2Å; P632-Q636 HydrophobicContact CB-CG 4.16Å
633S73.8Confident66.2Low70 Ų70117.5 Ų117.549%0.4967%0.669SS.*PPolyproline II helixtrans-49.5147175.31730000109.8T631 E635 Q636 R637T631-S633 PolarHBondContact O-N 2.99Å; S633-E635 PolarHBondContact O-N 2.84Å; S633-E635 PolarHBondContact OG-N 3.18Å; S633-Q636 CarbonylContact O-C 3.58Å; S633-Q636 WeakPolarHBondContact O-CA 3.43Å; S633-Q636 WeakPolarHBondContact O-CB 3.31Å; S633-Q636 PolarHBondContact O-N 3.44Å; S633-R637 PolarHBondContact O-N 3.22Å
634V85.2Confident69.3Low126 Ų126118 Ų11876%0.76466%0.655SS**Hα-helixtrans-53.1-34.2178.3178.40000111R637 L638V634-R637 PolarHBondContact O-N 2.95Å; V634-L638 WeakPolarHBondContact O-CB 3.43Å; V634-L638 PolarHBondContact O-N 3.42Å
635E85.8Confident72.3Confident139 Ų139114.1 Ų114.165%0.6563%0.628SS**Hα-helixtrans-65.5-44.3172.9-175.1173.7-164.100113S633 R637 L638 L639S633-E635 PolarHBondContact O-N 2.84Å; S633-E635 PolarHBondContact OG-N 3.18Å; E635-R637 VanDerWaalsContact C-N 3.33Å; E635-R637 PolarHBondContact O-N 2.94Å; E635-L638 WeakPolarHBondContact O-CB 3.36Å; E635-L638 PolarHBondContact O-N 3.21Å; E635-L639 HydrophobicContact CG-CD1 4.42Å; E635-L639 WeakPolarHBondContact O-CG 3.43Å; E635-L639 PolarHBondContact O-N 3.49Å
636Q90.1Very high75.3Confident120 Ų120107 Ų10756%0.56160%0.603SS**Hα-helixtrans-64.8-37.3175-171.5-179.68.500111.5P632 S633 L639 E640P632-Q636 HydrophobicContact CB-CB 4.2Å; P632-Q636 HydrophobicContact CB-CG 4.16Å; S633-Q636 CarbonylContact O-C 3.58Å; S633-Q636 WeakPolarHBondContact O-CA 3.43Å; S633-Q636 WeakPolarHBondContact O-CB 3.31Å; S633-Q636 PolarHBondContact O-N 3.44Å; Q636-L639 PolarHBondContact O-N 2.83Å; Q636-E640 WeakPolarHBondContact O-CB 3.42Å; Q636-E640 PolarHBondContact O-N 3.45Å
637R91.1Very high78.3Confident178 Ų178104.9 Ų104.967%0.67259%0.585SS**Hα-helixtrans-65.7-39.6171.9-172.8175.7-177.31721.4111.5S633 V634 E635 E640 L641S633-R637 PolarHBondContact O-N 3.22Å; V634-R637 PolarHBondContact O-N 2.95Å; E635-R637 VanDerWaalsContact C-N 3.33Å; E635-R637 PolarHBondContact O-N 2.94Å; R637-E640 PolarHBondContact O-N 3.37Å; R637-L641 VanDerWaalsContact O-CB 3.28Å; R637-L641 WeakPolarHBondContact O-CB 3.1Å; R637-L641 PolarHBondContact O-N 2.96Å
638L93.7Very high81.1Confident122 Ų122101.2 Ų101.264%0.63957%0.569SS**Hα-helixtrans-65.7-42176.3-167.875.3000111.6V634 E635 L641 N642V634-L638 WeakPolarHBondContact O-CB 3.43Å; V634-L638 PolarHBondContact O-N 3.42Å; E635-L638 WeakPolarHBondContact O-CB 3.36Å; E635-L638 PolarHBondContact O-N 3.21Å; L638-L641 PolarHBondContact O-N 3.47Å; L638-N642 VanDerWaalsContact O-CB 3.31Å; L638-N642 WeakPolarHBondContact O-CB 3.31Å; L638-N642 PolarHBondContact O-N 2.91Å
639L93.6Very high84Confident113 Ų113104.3 Ų104.359%0.59257%0.565SS**Hα-helixtrans-64.1-43.4175.2-72.6170000111.8E635 Q636 N642 R643E635-L639 HydrophobicContact CG-CD1 4.42Å; E635-L639 WeakPolarHBondContact O-CG 3.43Å; E635-L639 PolarHBondContact O-N 3.49Å; Q636-L639 PolarHBondContact O-N 2.83Å; L639-N642 PolarHBondContact O-N 2.98Å; L639-R643 WeakPolarHBondContact O-CB 3.43Å; L639-R643 PolarHBondContact O-N 3.45Å
640E93.1Very high86.6Confident66 Ų66102.3 Ų102.331%0.30855%0.551SS.*Hα-helixtrans-66.3-39.5176.1178.854.8-15700111.8Q636 R637 N642 R643 Q644Q636-E640 WeakPolarHBondContact O-CB 3.42Å; Q636-E640 PolarHBondContact O-N 3.45Å; R637-E640 PolarHBondContact O-N 3.37Å; E640-N642 VanDerWaalsContact C-N 3.35Å; E640-R643 WeakPolarHBondContact O-CB 3.32Å; E640-R643 PolarHBondContact O-N 3.07Å; E640-R643 IonicContact OE1-CZ 3.44Å; E640-R643 IonicContact OE1-NE 2.74Å; E640-R643 PolarHBondContact OE1-NE 3.42Å; E640-R643 IonicContact OE1-NH2 2.7Å; E640-R643 PolarHBondContact OE1-NH2 3.32Å; E640-R643 IonicContact OE2-CZ 2.75Å; E640-R643 IonicContact OE2-NE 2.88Å; E640-R643 PolarHBondContact OE2-NE 2.92Å; E640-R643 IonicContact OE2-NH2 2.63Å; E640-R643 PolarHBondContact OE2-NH2 3.4Å; E640-Q644 WeakPolarHBondContact O-CB 3.47Å; E640-Q644 VanDerWaalsContact O-CG 3.28Å; E640-Q644 WeakPolarHBondContact O-CG 3.46Å; E640-Q644 PolarHBondContact O-N 2.97Å; E640-Q644 PolarHBondContact OE1-NE2 3.43Å
641L94.6Very high89Confident103 Ų103105.6 Ų105.654%0.53955%0.547SS..Hα-helixtrans-68.3-35176-152.6159.4000111.3R637 L638 Q644 S645R637-L641 VanDerWaalsContact O-CB 3.28Å; R637-L641 WeakPolarHBondContact O-CB 3.1Å; R637-L641 PolarHBondContact O-N 2.96Å; L638-L641 PolarHBondContact O-N 3.47Å; L641-Q644 PolarHBondContact O-N 2.84Å; L641-S645 WeakPolarHBondContact O-CB 3.49Å; L641-S645 PolarHBondContact O-N 2.92Å
642N93.3Very high91.3Very high104 Ų104104.4 Ų104.456%0.55654%0.535SS*.Hα-helixtrans-65.7-44.4170.9-165.2-34.1000111.3L638 L639 E640 Q644 S645 A646L638-N642 VanDerWaalsContact O-CB 3.31Å; L638-N642 WeakPolarHBondContact O-CB 3.31Å; L638-N642 PolarHBondContact O-N 2.91Å; L639-N642 PolarHBondContact O-N 2.98Å; E640-N642 VanDerWaalsContact C-N 3.35Å; N642-Q644 VanDerWaalsContact C-N 3.33Å; N642-Q644 PolarHBondContact O-N 3.04Å; N642-S645 PolarHBondContact O-N 2.87Å; N642-A646 WeakPolarHBondContact O-CB 3.38Å; N642-A646 PolarHBondContact O-N 2.87Å
643R96.7Very high92.8Very high158 Ų158106.4 Ų106.460%0.59654%0.542SS*.Hα-helixtrans-57.6-43.8173.1-168.2-175.475.496.52.3111.8L639 E640 A646 A647L639-R643 WeakPolarHBondContact O-CB 3.43Å; L639-R643 PolarHBondContact O-N 3.45Å; E640-R643 WeakPolarHBondContact O-CB 3.32Å; E640-R643 PolarHBondContact O-N 3.07Å; E640-R643 IonicContact OE1-CZ 3.44Å; E640-R643 IonicContact OE1-NE 2.74Å; E640-R643 PolarHBondContact OE1-NE 3.42Å; E640-R643 IonicContact OE1-NH2 2.7Å; E640-R643 PolarHBondContact OE1-NH2 3.32Å; E640-R643 IonicContact OE2-CZ 2.75Å; E640-R643 IonicContact OE2-NE 2.88Å; E640-R643 PolarHBondContact OE2-NE 2.92Å; E640-R643 IonicContact OE2-NH2 2.63Å; E640-R643 PolarHBondContact OE2-NH2 3.4Å; R643-A646 PolarHBondContact O-N 3.48Å; R643-A647 WeakPolarHBondContact O-CB 3.29Å; R643-A647 PolarHBondContact O-N 2.85Å
644Q95.6Very high93.9Very high105 Ų105108.4 Ų108.449%0.49154%0.543SS..Hα-helixtrans-67.5-40.1176.1-71.2173.812.900112.1E640 L641 N642 A647 A648E640-Q644 WeakPolarHBondContact O-CB 3.47Å; E640-Q644 VanDerWaalsContact O-CG 3.28Å; E640-Q644 WeakPolarHBondContact O-CG 3.46Å; E640-Q644 PolarHBondContact O-N 2.97Å; E640-Q644 PolarHBondContact OE1-NE2 3.43Å; L641-Q644 PolarHBondContact O-N 2.84Å; N642-Q644 VanDerWaalsContact C-N 3.33Å; N642-Q644 PolarHBondContact O-N 3.04Å; Q644-A647 PolarHBondContact O-N 3.35Å; Q644-A648 VanDerWaalsContact O-CB 3.29Å; Q644-A648 WeakPolarHBondContact O-CB 3.45Å; Q644-A648 PolarHBondContact O-N 3.32Å
645S96.3Very high94.4Very high45 Ų45107.3 Ų107.332%0.31553%0.532SS..Hα-helixtrans-63.7-42174.7-172.80000112.1L641 N642 A648 R649L641-S645 WeakPolarHBondContact O-CB 3.49Å; L641-S645 PolarHBondContact O-N 2.92Å; N642-S645 PolarHBondContact O-N 2.87Å; S645-A648 PolarHBondContact O-N 3.18Å; S645-R649 WeakPolarHBondContact O-CB 3.3Å; S645-R649 VanDerWaalsContact O-CG 3.31Å; S645-R649 WeakPolarHBondContact O-CG 3.45Å; S645-R649 PolarHBondContact O-N 3.4Å
646A96Very high94.7Very high45 Ų45104.9 Ų104.937%0.37252%0.523SS..Hα-helixtrans-62.7-47.8173.600000111.4N642 R643 A648 R649 S650N642-A646 WeakPolarHBondContact O-CB 3.38Å; N642-A646 PolarHBondContact O-N 2.87Å; R643-A646 PolarHBondContact O-N 3.48Å; A646-A648 VanDerWaalsContact C-N 3.34Å; A646-A648 PolarHBondContact O-N 3.4Å; A646-R649 PolarHBondContact O-N 2.98Å; A646-S650 PolarHBondContact O-N 2.86Å; A646-S650 PolarHBondContact O-OG 3.28Å
647A94.5Very high94.9Very high46 Ų46102.6 Ų102.638%0.3851%0.512SS..Hα-helixtrans-62.5-38.417700000112.9R643 Q644 S650 R651R643-A647 WeakPolarHBondContact O-CB 3.29Å; R643-A647 PolarHBondContact O-N 2.85Å; Q644-A647 PolarHBondContact O-N 3.35Å; A647-S650 PolarHBondContact O-N 3.44Å; A647-R651 PolarHBondContact O-N 3.42Å
648A95.8Very high95Very high59 Ų5998.7 Ų98.749%0.48850%0.502SS..Hα-helixtrans-65.8-40.5174.700000112Q644 S645 A646 R651 L652Q644-A648 VanDerWaalsContact O-CB 3.29Å; Q644-A648 WeakPolarHBondContact O-CB 3.45Å; Q644-A648 PolarHBondContact O-N 3.32Å; S645-A648 PolarHBondContact O-N 3.18Å; A646-A648 VanDerWaalsContact C-N 3.34Å; A646-A648 PolarHBondContact O-N 3.4Å; A648-R651 PolarHBondContact O-N 3.37Å; A648-L652 WeakPolarHBondContact O-CB 3.44Å; A648-L652 PolarHBondContact O-N 3.38Å
649R95.6Very high94.8Very high167 Ų16799.6 Ų99.663%0.6350%0.503SS*.Hα-helixtrans-63.7-42.8173.1-74.7169.9176.3167.5-0112S645 A646 L652 L653S645-R649 WeakPolarHBondContact O-CB 3.3Å; S645-R649 VanDerWaalsContact O-CG 3.31Å; S645-R649 WeakPolarHBondContact O-CG 3.45Å; S645-R649 PolarHBondContact O-N 3.4Å; A646-R649 PolarHBondContact O-N 2.98Å; R649-L652 PolarHBondContact O-N 3.32Å; R649-L653 WeakPolarHBondContact O-CG 3.33Å; R649-L653 PolarHBondContact O-N 3.45Å
650S96.1Very high94.5Very high76 Ų76100 Ų10053%0.53150%0.5SS..Hα-helixtrans-61.2-44174.8-61.10000112A646 A647 L653 E654A646-S650 PolarHBondContact O-N 2.86Å; A646-S650 PolarHBondContact O-OG 3.28Å; A647-S650 PolarHBondContact O-N 3.44Å; S650-L653 PolarHBondContact O-N 2.77Å; S650-E654 WeakPolarHBondContact O-CB 3.32Å; S650-E654 PolarHBondContact O-N 3.4Å
651R95.8Very high94.1Very high175 Ų175101.7 Ų101.766%0.6651%0.507SS*.Hα-helixtrans-64.8-36.2174.4-76.7-178.3178.4159.3-0.6113.3A647 A648 E654 L655A647-R651 PolarHBondContact O-N 3.42Å; A648-R651 PolarHBondContact O-N 3.37Å; R651-E654 WeakPolarHBondContact O-CB 3.44Å; R651-E654 PolarHBondContact O-N 3.13Å; R651-L655 WeakPolarHBondContact O-CB 3.36Å; R651-L655 WeakPolarHBondContact O-CG 3.43Å; R651-L655 PolarHBondContact O-N 2.81Å
652L96.6Very high93.1Very high101 Ų10199.9 Ų99.953%0.52950%0.503SS..Hα-helixtrans-65.2-42.3175.1-179.562000111A648 R649 E654 L655 I656A648-L652 WeakPolarHBondContact O-CB 3.44Å; A648-L652 PolarHBondContact O-N 3.38Å; R649-L652 PolarHBondContact O-N 3.32Å; L652-E654 VanDerWaalsContact C-N 3.35Å; L652-L655 PolarHBondContact O-N 2.72Å; L652-I656 HydrophobicContact CD1-CD1 4.3Å; L652-I656 HydrophobicContact CG-CD1 4.01Å; L652-I656 WeakPolarHBondContact O-CB 3.4Å; L652-I656 WeakPolarHBondContact O-CD1 3.45Å; L652-I656 VanDerWaalsContact O-CG1 3.24Å; L652-I656 WeakPolarHBondContact O-CG1 3.29Å; L652-I656 PolarHBondContact O-N 3.32Å
653L96.1Very high91.7Very high117 Ų11797.9 Ų97.961%0.61350%0.502SS*.Hα-helixtrans-64.2-39.1173.6-69.2170.8000111.9R649 S650 I656 E657R649-L653 WeakPolarHBondContact O-CG 3.33Å; R649-L653 PolarHBondContact O-N 3.45Å; S650-L653 PolarHBondContact O-N 2.77Å; L653-I656 PolarHBondContact O-N 3.14Å; L653-E657 WeakPolarHBondContact O-CB 3.5Å; L653-E657 PolarHBondContact O-N 3.29Å
654E96Very high90Very high111 Ų11194.4 Ų94.452%0.51950%0.502SS..Hα-helixtrans-62.1-43.2173.6-173.1-179.1-178.200111.9S650 R651 L652 E657 Q658S650-E654 WeakPolarHBondContact O-CB 3.32Å; S650-E654 PolarHBondContact O-N 3.4Å; R651-E654 WeakPolarHBondContact O-CB 3.44Å; R651-E654 PolarHBondContact O-N 3.13Å; L652-E654 VanDerWaalsContact C-N 3.35Å; E654-E657 PolarHBondContact O-N 3.26Å; E654-Q658 WeakPolarHBondContact O-CB 3.34Å; E654-Q658 VanDerWaalsContact O-CG 3.3Å; E654-Q658 WeakPolarHBondContact O-CG 3.48Å; E654-Q658 PolarHBondContact O-N 3.06Å
655L95.6Very high87.9Confident103 Ų10396.6 Ų96.654%0.53952%0.516SS..Hα-helixtrans-66.4-40.1175.2-73.8169.2000112.6R651 L652 E657 Q658 Q659R651-L655 WeakPolarHBondContact O-CB 3.36Å; R651-L655 WeakPolarHBondContact O-CG 3.43Å; R651-L655 PolarHBondContact O-N 2.81Å; L652-L655 PolarHBondContact O-N 2.72Å; L655-E657 VanDerWaalsContact C-N 3.32Å; L655-Q658 PolarHBondContact O-N 3.43Å; L655-Q659 WeakPolarHBondContact O-CB 3.28Å; L655-Q659 PolarHBondContact O-N 3.47Å
656I93.7Very high85.5Confident88 Ų88105.2 Ų105.245%0.45154%0.541SS..Hα-helixtrans-63.2-40.7174-70.5164.2000110.3L652 L653 Q659 K660L652-I656 HydrophobicContact CD1-CD1 4.3Å; L652-I656 HydrophobicContact CG-CD1 4.01Å; L652-I656 WeakPolarHBondContact O-CB 3.4Å; L652-I656 WeakPolarHBondContact O-CD1 3.45Å; L652-I656 VanDerWaalsContact O-CG1 3.24Å; L652-I656 WeakPolarHBondContact O-CG1 3.29Å; L652-I656 PolarHBondContact O-N 3.32Å; L653-I656 PolarHBondContact O-N 3.14Å; I656-Q659 PolarHBondContact O-N 3.24Å; I656-K660 WeakPolarHBondContact O-CB 3.47Å; I656-K660 PolarHBondContact O-N 3.37Å
657E94.4Very high83.2Confident72 Ų72109.5 Ų109.534%0.33656%0.557SS.*Hα-helixtrans-68-41.2176.4-173.859.3-149.800111.7L653 E654 L655 Q659 K660 Q661L653-E657 WeakPolarHBondContact O-CB 3.5Å; L653-E657 PolarHBondContact O-N 3.29Å; E654-E657 PolarHBondContact O-N 3.26Å; L655-E657 VanDerWaalsContact C-N 3.32Å; E657-Q659 VanDerWaalsContact C-N 3.33Å; E657-Q659 PolarHBondContact O-N 2.85Å; E657-K660 WeakPolarHBondContact O-CB 3.43Å; E657-K660 PolarHBondContact O-N 3.48Å; E657-K660 WeakPolarHBondContact OE1-CE 3.44Å; E657-K660 IonicContact OE1-NZ 2.71Å; E657-K660 PolarHBondContact OE1-NZ 2.74Å; E657-K660 WeakPolarHBondContact OE2-CE 3.28Å; E657-K660 IonicContact OE2-NZ 2.71Å; E657-K660 PolarHBondContact OE2-NZ 2.71Å; E657-Q661 WeakPolarHBondContact O-CB 3.46Å; E657-Q661 VanDerWaalsContact O-CG 3.26Å; E657-Q661 WeakPolarHBondContact O-CG 3.34Å; E657-Q661 PolarHBondContact O-N 3.16Å; E657-Q661 PolarHBondContact OE1-NE2 3.48Å
658Q92.8Very high80.1Confident96 Ų96112.7 Ų112.745%0.44958%0.576SS.*Hα-helixtrans-62.6-38171.7-74.3175.27.300112E654 L655 Q661 S662E654-Q658 WeakPolarHBondContact O-CB 3.34Å; E654-Q658 VanDerWaalsContact O-CG 3.3Å; E654-Q658 WeakPolarHBondContact O-CG 3.48Å; E654-Q658 PolarHBondContact O-N 3.06Å; L655-Q658 PolarHBondContact O-N 3.43Å; Q658-Q661 PolarHBondContact O-N 3.39Å; Q658-S662 WeakPolarHBondContact O-CB 3.39Å; Q658-S662 PolarHBondContact O-N 3.45Å; Q658-S662 PolarHBondContact O-OG 2.87Å
659Q87.9Confident77.6Confident141 Ų141115.7 Ų115.766%0.65959%0.591SS**Hα-helixtrans-65.4-41.7173.4-171.8177.7-0.100111.3L655 I656 E657 S662 A663L655-Q659 WeakPolarHBondContact O-CB 3.28Å; L655-Q659 PolarHBondContact O-N 3.47Å; I656-Q659 PolarHBondContact O-N 3.24Å; E657-Q659 VanDerWaalsContact C-N 3.33Å; E657-Q659 PolarHBondContact O-N 2.85Å; Q659-S662 WeakPolarHBondContact CA-OG 3.31Å; Q659-S662 PolarHBondContact O-OG 2.95Å; Q659-S662 VanDerWaalsContact O-OG 3.13Å; Q659-A663 VanDerWaalsContact O-CB 3.3Å; Q659-A663 WeakPolarHBondContact O-CB 3.38Å; Q659-A663 PolarHBondContact O-N 3.46Å
660K87.7Confident75.1Confident123 Ų123113.1 Ų113.154%0.53560%0.598SS.*Hα-helixtrans-64.3-41.5175.1-163.6-168.177.4-161.60111.9I656 E657 S664I656-K660 WeakPolarHBondContact O-CB 3.47Å; I656-K660 PolarHBondContact O-N 3.37Å; E657-K660 WeakPolarHBondContact O-CB 3.43Å; E657-K660 PolarHBondContact O-N 3.48Å; E657-K660 WeakPolarHBondContact OE1-CE 3.44Å; E657-K660 IonicContact OE1-NZ 2.71Å; E657-K660 PolarHBondContact OE1-NZ 2.74Å; E657-K660 WeakPolarHBondContact OE2-CE 3.28Å; E657-K660 IonicContact OE2-NZ 2.71Å; E657-K660 PolarHBondContact OE2-NZ 2.71Å; K660-S664 WeakPolarHBondContact O-CB 3.45Å; K660-S664 PolarHBondContact O-N 2.86Å
661Q84.9Confident72Confident100 Ų100114.5 Ų114.547%0.46761%0.614SS.*Hα-helixtrans-72.2-40179.4-71.2174.912.100112.3E657 Q658 S664 L665E657-Q661 WeakPolarHBondContact O-CB 3.46Å; E657-Q661 VanDerWaalsContact O-CG 3.26Å; E657-Q661 WeakPolarHBondContact O-CG 3.34Å; E657-Q661 PolarHBondContact O-N 3.16Å; E657-Q661 PolarHBondContact OE1-NE2 3.48Å; Q658-Q661 PolarHBondContact O-N 3.39Å; Q661-S664 CarbonylContact O-C 3.53Å; Q661-S664 WeakPolarHBondContact O-CB 3.4Å; Q661-S664 PolarHBondContact O-N 3.3Å; Q661-S664 VanDerWaalsContact O-N 3.15Å; Q661-L665 WeakPolarHBondContact O-CG 3.39Å; Q661-L665 PolarHBondContact O-N 3.24Å
662S74.1Confident69.2Low65 Ų65111 Ų11146%0.45562%0.616SS.*Hα-helixtrans-69.2-31.617454.40000112.9Q658 Q659 L665 R666Q658-S662 WeakPolarHBondContact O-CB 3.39Å; Q658-S662 PolarHBondContact O-N 3.45Å; Q658-S662 PolarHBondContact O-OG 2.87Å; Q659-S662 WeakPolarHBondContact CA-OG 3.31Å; Q659-S662 PolarHBondContact O-OG 2.95Å; Q659-S662 VanDerWaalsContact O-OG 3.13Å; S662-L665 PolarHBondContact O-N 2.9Å; S662-R666 WeakPolarHBondContact O-CG 3.4Å
663A64.7Low66.9Low63 Ų63112.2 Ų112.252%0.52163%0.631SS.*Hα-helixtrans-65.5-39.4166.400000112Q659 L665 R666Q659-A663 VanDerWaalsContact O-CB 3.3Å; Q659-A663 WeakPolarHBondContact O-CB 3.38Å; Q659-A663 PolarHBondContact O-N 3.46Å; A663-L665 VanDerWaalsContact C-N 3.32Å; A663-L665 PolarHBondContact O-N 3.03Å; A663-R666 PolarHBondContact O-N 3.35Å
664S60.8Low64Low85 Ų85113.4 Ų113.459%0.59464%0.636SS**Hα-helixtrans-69.7-24.8176.9-166.90000114K660 Q661 R666K660-S664 WeakPolarHBondContact O-CB 3.45Å; K660-S664 PolarHBondContact O-N 2.86Å; Q661-S664 CarbonylContact O-C 3.53Å; Q661-S664 WeakPolarHBondContact O-CB 3.4Å; Q661-S664 PolarHBondContact O-N 3.3Å; Q661-S664 VanDerWaalsContact O-N 3.15Å; S664-R666 VanDerWaalsContact C-N 3.32Å
665L51.3Low61.4Low150 Ų150114 Ų11479%0.78565%0.65SS**THydrogen-bonded Turntrans-83.2-5176.1-75.5163.9000113.5Q661 S662 A663Q661-L665 WeakPolarHBondContact O-CG 3.39Å; Q661-L665 PolarHBondContact O-N 3.24Å; S662-L665 PolarHBondContact O-N 2.9Å; A663-L665 VanDerWaalsContact C-N 3.32Å; A663-L665 PolarHBondContact O-N 3.03Å
666R46.4Very low58.4Low226 Ų226114.3 Ų114.385%0.85366%0.66SS**THydrogen-bonded Turntrans-9213.1178.4-79.7-81-168.6140.62.8114S662 A663 S664S662-R666 WeakPolarHBondContact O-CG 3.4Å; A663-R666 PolarHBondContact O-N 3.35Å; S664-R666 VanDerWaalsContact C-N 3.32Å
667I46.1Very low55.4Low135 Ų135115.8 Ų115.869%0.69268%0.679SS**  trans-104114.1176.9-53.7178.4000110.3
668S30.1Very low52.3Low114 Ų114116.6 Ų116.680%0.79770%0.698SS**  trans-110.2156.1156.2-77.40000108.9
669P43.9Very low49.3Very low122 Ų122118.1 Ų118.179%0.79271%0.713SS**  -98.9165.3-124.235.1-38.5000116.7
670S41.5Very low46.5Very low113 Ų113116.9 Ų116.979%0.7972%0.72SS**  trans-74.5143.7174.8530000114.3
671A31.2Very low44.6Very low104 Ų104116.1 Ų116.186%0.8673%0.727SS**  trans-134.5117152.100000109.6
672S36.7Very low42Very low101 Ų101118.5 Ų118.571%0.70674%0.743SS**  trans-96.2177.3165.1-55.50000109.6
673P49.7Very low39.8Very low128 Ų128119.5 Ų119.583%0.83176%0.756SS**  -142.2156.895.835.8-21.1000115.8
674I35.8Very low38.1Very low142 Ų142121.5 Ų121.573%0.72877%0.772SS**PPolyproline II helixtrans-93.6145170.5-61.5159.5000108.6
675P40.7Very low36.5Very low124 Ų124122.6 Ų122.681%0.80579%0.787SS**PPolyproline II helixtrans-88.6133159.533.4-29.9000111.4
676S32.3Very low35.3Very low109 Ų109119.2 Ų119.276%0.76279%0.788SS**PPolyproline II helixtrans-101.6138.8-169.9-64.20000114.7
677S29.8Very low34.3Very low119 Ų119111.7 Ų111.783%0.83278%0.781SS**  trans62.1124.5141.8-165.30000121.3
678A30.2Very low33.4Very low89 Ų89114.5 Ų114.574%0.73679%0.791SS**  -165.4118.2128.900000114.8
679V29.9Very low33.3Very low127 Ų127114.3 Ų114.377%0.7779%0.79SS**  69.498.6128.9-175.30000121.1
680S28.3Very low32.5Very low115 Ų115112.8 Ų112.880%0.80478%0.782SS**  72.5166.7124.2-84.10000123.5
681P49.3Very low31.9Very low107 Ų107115.3 Ų115.370%0.69578%0.781SS**  trans-123.8-164.7-148.444.5-30.7000115.4
682N29Very low31.6Very low150 Ų150119 Ų11980%0.80278%0.781SS**  trans85.3114.5164.7-84.1-12.7000120.4
683A27.5Very low31.2Very low87 Ų87118.5 Ų118.572%0.71977%0.774SS**  72.6110.6119.100000121.9
684A29.7Very low30.1Very low105 Ų105118.6 Ų118.687%0.86877%0.771SS**  69.6100.1120.400000121.1
685A28.1Very low29.9Very low108 Ų108118.5 Ų118.589%0.89377%0.771SS**  -165.7149.6126.800000107
686G26Very low30.1Very low78 Ų78117.7 Ų117.780%0.80477%0.766SS**  cis118.192.714.300000110.3
687G24.5Very low30.7Very low69 Ų69117.9 Ų117.971%0.71177%0.765SS**  trans79.6120.2150.400000117.9
688Q27.6Very low30.5Very low193 Ų193121.6 Ų121.690%0.90277%0.769SS**  84.7157.357.4-76.3-165.636.100114.8
689S26.9Very low30.6Very low111 Ų111127 Ų12778%0.77677%0.771SS**  trans78.5143-172.489.50000115.6
690S28.3Very low30.5Very low89 Ų89127.2 Ų127.262%0.62276%0.763SS**  cis-131.8129.915.7-79.20000111.5
691E28.6Very low30.5Very low166 Ų166131.7 Ų131.778%0.77677%0.768SS**  84.4143.490.5-67.3164.7140.700112.4
692E25.3Very low29.4Very low182 Ų182130.2 Ų130.285%0.8577%0.773SS**  cis-153.6122.344.4-176.2176.2177.400110.3
693T27.4Very low29.4Very low91 Ų91128.6 Ų128.656%0.55877%0.773SS**  83.712677.5-48.10000113L695T693-L695 HydrophobicContact CG2-CD1 3.66Å; T693-L695 HydrophobicContact CG2-CG 3.9Å
694V26.7Very low29.3Very low129 Ų129132.2 Ų132.278%0.78278%0.775SS**  -160.4117.875.9168.30000108.1
695L31.4Very low29.3Very low140 Ų140136.2 Ų136.273%0.73377%0.768SS**  84.3158.470-70.4173.4000115.7T693T693-L695 HydrophobicContact CG2-CD1 3.66Å; T693-L695 HydrophobicContact CG2-CG 3.9Å
696P44.3Very low29.2Very low107 Ų107138.4 Ų138.470%0.69576%0.759SS**  -142.7-142.2-62.545.2-24.7000111
697P45.5Very low29.3Very low113 Ų113143 Ų14373%0.73475%0.754SS**  cis-135.1172.1-26.339.6-22.7000116.6
698E25.4Very low29.5Very low198 Ų198144.5 Ų144.593%0.92576%0.759SS**  trans-159.9172.2142.8-121.5-173.8-176.400113.3
699R32.6Very low29.4Very low202 Ų202138.9 Ų138.976%0.76275%0.753SS**  trans-149.3166.7-157.7-89.8172.2158.4-117-7.4112.8
700E27.2Very low29.4Very low131 Ų131138.9 Ų138.961%0.61275%0.753SS**  cis-141.7-108.43.6-142.9149.9158.700116.4
701F28.8Very low29.4Very low209 Ų209142.2 Ų142.292%0.91776%0.764SS**  trans-158164.1-149.7-100.1-89.4000117.3
702G27.3Very low29.4Very low76 Ų76138.5 Ų138.578%0.78476%0.762SS**  trans159.8141.2157.500000117.1
703S29.4Very low29.5Very low116 Ų116135.1 Ų135.181%0.81176%0.758SS**  trans-154.7173.7-146.2-175.40000116.6
704H23.8Very low29.3Very low164 Ų164138.4 Ų138.476%0.75977%0.772SS**  trans120126.6169.1-79.824.4000115.4
705R29.7Very low29.3Very low189 Ų189137 Ų13771%0.71377%0.768SS**  cis76.3130.840.7-122-173.4-151.6-122.82112.2
706Q27.4Very low29.1Very low153 Ų153138.2 Ų138.272%0.71577%0.774SS**  cis-163.8151.948.2-69-170.611.700116.9
707Y28.2Very low28.1Very low176 Ų176137.7 Ų137.769%0.6977%0.773SS**  trans46.9124.4136.9-73.3-100.6000128.1
708A28.4Very low27.2Very low100 Ų100140 Ų14083%0.82677%0.772SS**  53.1141.2120.400000126.3
709G25.1Very low27.2Very low75 Ų75136.1 Ų136.177%0.77375%0.754SS**  trans134.4103.1137.600000120.7
710S27.7Very low26.9Very low111 Ų111130.6 Ų130.678%0.77675%0.746SS**  trans26.5134.9150.6-58.10000126.5
711D26.5Very low27Very low159 Ų159131.9 Ų131.985%0.8575%0.75SS**  trans55.3147.8133.3-67.7-34.4000126.2
712A28.4Very low27.1Very low88 Ų88128.9 Ų128.973%0.72775%0.749SS**  trans79.4100.9152.400000121.3
713S27.4Very low27.2Very low110 Ų110129 Ų12977%0.76975%0.75SS**  62141.4123.7-59.50000123.8
714N25.2Very low27.1Very low160 Ų160131.7 Ų131.786%0.85675%0.75SS**  trans100.7138.9150.3-71.1-10.3000120.5
715S25.7Very low27.4Very low100 Ų100131 Ų13170%0.69975%0.75SS**  trans-61.7154.4176.954.30000114
716L26.9Very low27.5Very low165 Ų165130.3 Ų130.386%0.86475%0.752SS**  -161.6142.8110.4-103.4155.1000112
717S24.8Very low27.7Very low97 Ų97130.1 Ų130.168%0.67875%0.751SS**  trans-69.2157.616551.50000111.2
718F24.7Very low27.7Very low162 Ų162127.2 Ų127.271%0.71175%0.747SS**  164.5115104.4-164.8-110.1000112.5
719E25.3Very low27.8Very low116 Ų116128.7 Ų128.754%0.54274%0.737SS.*  trans38.2130.5131.8-150.5-176.7125.300122.4K721E719-K721 IonicContact OE1-NZ 2.71Å; E719-K721 PolarHBondContact OE1-NZ 3.48Å
720S27.3Very low28.2Very low85 Ų85132.8 Ų132.859%0.59473%0.734SS**  153.8118128-74.90000110.7
721K30.2Very low28.5Very low159 Ų159138 Ų13869%0.69174%0.737SS**  66.3135.794.3-66.1161.5177148.20111.9E719E719-K721 IonicContact OE1-NZ 2.71Å; E719-K721 PolarHBondContact OE1-NZ 3.48Å
722T29.9Very low28.8Very low146 Ų146136.4 Ų136.490%0.89672%0.724SS**  cis-168.7160.914.72.80000108.8
723G29Very low29.1Very low79 Ų79138 Ų13881%0.81472%0.717SS**  trans159.4105.2167.300000114.3
724E28.5Very low29.5Very low172 Ų172142.8 Ų142.880%0.80472%0.718SS**  trans-92.3-175-179.1-76.1-171.890.600114
725I30.4Very low30.3Very low150 Ų150144.3 Ų144.377%0.76972%0.72SS**  trans96.395.3161.2-53.3168.7000112.1
726K31.4Very low30.8Very low173 Ų173142.6 Ų142.675%0.75272%0.718SS**  62.3132.879.3-68179178.4168.70111.2
727H31.3Very low31.2Very low150 Ų150145.6 Ų145.669%0.69472%0.718SS**  cis-166.9162.220.1-157.2-121.4000110.5
728N28.7Very low31.8Very low114 Ų114149.2 Ų149.261%0.6172%0.722SS**  trans40.2159151.177.4-44.6000123.4
729E29.7Very low32.6Very low131 Ų131147.3 Ų147.361%0.61273%0.729SS**  cis-153159.85.1-149.5156.7158.200116.6
730K33.5Very low33.2Very low162 Ų162149.7 Ų149.770%0.70474%0.744SS**  trans-30.7143.8170.4-47.2147.6-166.2152.50118.9
731R33.5Very low33.7Very low220 Ų220151.6 Ų151.683%0.8375%0.752SS**  164.9158.4106-90.6-178.9-179.6-114.56.3108.8
732Q33.4Very low34.3Very low126 Ų126148.1 Ų148.159%0.58975%0.753SS**  cis160140.2-17.9179174.4-23.200104.5
733E35.1Very low34.6Very low122 Ų122148.9 Ų148.957%0.5775%0.746SS**  trans69.1152.2173.2-72.5159.5-123.500116.3
734R35.7Very low35Very low209 Ų209151 Ų15179%0.78974%0.743SS**  cis-154.31648.3-134163.4-135.4-100.7-2111.7
735E42Very low35.4Very low192 Ų192158.1 Ų158.190%0.89776%0.763SS**  trans-66.5147.6167.3-60.1167.114500111.2
736G34.7Very low35.6Very low65 Ų65158.5 Ų158.567%0.6776%0.762SS**  trans-169.2106.6168.800000119.4
737W36.8Very low35.8Very low228 Ų228157.7 Ų157.786%0.86476%0.763SS**  trans46.2120.9136.8-58.482.9000121.8
738F36.6Very low36.1Very low173 Ų173158.2 Ų158.276%0.75977%0.767SS**  trans31.5128.8138.6-65.5-94.5000120.9
739S40.8Very low36.5Very low122 Ų122160.8 Ų160.885%0.85378%0.776SS**  trans-146.9112.7137.5-82.20000112
740L37.9Very low36.9Very low165 Ų165162.6 Ų162.686%0.86479%0.786SS**  trans-74123.6157-95.7155000108.1
741V39.5Very low37.2Very low126 Ų126162.7 Ų162.776%0.76479%0.791SS**  trans-136.2112.8153.2-1790000108.3
742A41.6Very low37.4Very low85 Ų85158.6 Ų158.670%0.70279%0.789SS**  trans-84138.6163.300000109.4
743H36.4Very low37.7Very low163 Ų163161.1 Ų161.176%0.75580%0.804SS**  trans-149.1114.4150.2-95.162000104.1
744T37.8Very low38Very low123 Ų123164.3 Ų164.376%0.75582%0.824SS**  41.384.676.366.40000113.8
745R36Very low38.2Very low321 Ų321160.3 Ų160.3100%1.21183%0.827SS**  -145.50117.8-148.9174.4-166.1178.23.9110.7

Retrieved 745 of 745 residues in 317.8 ms (Link to these results)