A0A087XNR6_POEFO Loading...

LysM and putative peptidoglycan-binding domain-containing protein 3

Essential for Golgi structural integrity.

AlphaFold DB , UniProt , Accession A0A087XNR6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 320 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
1M36.9Very low41.3Very low239 Ų239157.3 Ų157.3100%1.17781%0.806SS**  0111.20-67.7171.487.600107.8
2S39.7Very low41.6Very low110 Ų110154.7 Ų154.777%0.76981%0.812SS**  trans41.5115.2141.6-68.30000119.4
3S40.1Very low41.8Very low111 Ų111149.8 Ų149.878%0.77681%0.807SS**  104.414289.169.40000109.3
4R41Very low42.1Very low223 Ų223147.7 Ų147.784%0.84280%0.803SS**  cis-178134.311.6154.9-176.6-179.8-176.70.7106
5S41.3Very low42.1Very low92 Ų92150 Ų15064%0.64381%0.809SS**  trans46.1145.7135.9111.80000119.8
6Q49.1Very low42Very low147 Ų147148.3 Ų148.369%0.68781%0.805SS**  cis-170.6148.14.6-82-125.924.200105.1
7H39.5Very low42.4Very low190 Ų190149.1 Ų149.188%0.8880%0.802SS**  trans-170.1107.4134.3-109-76.1000108.2G9H7-G9 PolarHBondContact O-N 3.16Å; H7-G9 VanDerWaalsContact O-N 3.16Å
8Y40.2Very low42.4Very low185 Ų185147.4 Ų147.473%0.72580%0.8SS**  trans-64.1106.2168.2-102.6-98.9000108.8F10Y8-F10 HydrophobicContact CD1-CD2 4.16Å; Y8-F10 HydrophobicContact CD1-CE1 4.24Å; Y8-F10 AromaticContact CD1-CE2 3.52Å; Y8-F10 HydrophobicContact CD1-CE2 3.52Å; Y8-F10 AromaticContact CD1-CZ 3.57Å; Y8-F10 HydrophobicContact CD1-CZ 3.57Å; Y8-F10 HydrophobicContact CE1-CE1 4.43Å; Y8-F10 HydrophobicContact CE1-CE2 4.3Å; Y8-F10 AromaticContact CE1-CZ 3.89Å; Y8-F10 HydrophobicContact CE1-CZ 3.89Å; Y8-F10 HydrophobicContact CG-CE2 4.17Å
9G38.4Very low42.8Very low69 Ų69144.5 Ų144.571%0.71180%0.798SS**  trans-90.5102.6159.500000108.3H7 Q11H7-G9 PolarHBondContact O-N 3.16Å; H7-G9 VanDerWaalsContact O-N 3.16Å; G9-Q11 PolarHBondContact O-N 3.1Å; G9-Q11 VanDerWaalsContact O-N 3.1Å
10F42Very low42.8Very low177 Ų177145.6 Ų145.678%0.77680%0.803SS**  trans-73.298.2168-78.2-84000108.3Y8Y8-F10 HydrophobicContact CD1-CD2 4.16Å; Y8-F10 HydrophobicContact CD1-CE1 4.24Å; Y8-F10 AromaticContact CD1-CE2 3.52Å; Y8-F10 HydrophobicContact CD1-CE2 3.52Å; Y8-F10 AromaticContact CD1-CZ 3.57Å; Y8-F10 HydrophobicContact CD1-CZ 3.57Å; Y8-F10 HydrophobicContact CE1-CE1 4.43Å; Y8-F10 HydrophobicContact CE1-CE2 4.3Å; Y8-F10 AromaticContact CE1-CZ 3.89Å; Y8-F10 HydrophobicContact CE1-CZ 3.89Å; Y8-F10 HydrophobicContact CG-CE2 4.17Å
11Q45.6Very low43.3Very low187 Ų187142.4 Ų142.487%0.87480%0.803SS**  trans-75.9137.6161.9-85.5-166.945.100109.8G9G9-Q11 PolarHBondContact O-N 3.1Å; G9-Q11 VanDerWaalsContact O-N 3.1Å
12S45.3Very low43.4Very low126 Ų126134.4 Ų134.488%0.88178%0.782SS**  trans-54.4130.3178.3-43.50000112.9
13A43.9Very low43.7Very low91 Ų91137.5 Ų137.575%0.75278%0.784SS**  trans-139.8118.8160.900000110.5
14T45.9Very low43.7Very low121 Ų121137 Ų13774%0.74279%0.787SS**  trans75.588.8152.9-38.40000117.4V16T14-V16 HydrophobicContact CG2-CG2 3.72Å; T14-V16 PolarHBondContact O-N 3.19Å
15M42.1Very low43.8Very low182 Ų182136.2 Ų136.290%0.89779%0.786SS**  trans-60.6106.3153.5-170.6-172.4-66.200108.7
16V41.2Very low43.8Very low122 Ų122140 Ų14074%0.73980%0.797SS**  trans-107.2103.7160.9-177.10000106.9T14 P18T14-V16 HydrophobicContact CG2-CG2 3.72Å; T14-V16 PolarHBondContact O-N 3.19Å; V16-P18 WeakPolarHBondContact O-CD 3.36Å
17Q49.2Very low43.3Very low163 Ų163142.5 Ų142.576%0.76281%0.806SS**  trans-69.8119.9174.2-178.7174.871.400109.2A19Q17-A19 PolarHBondContact O-N 3.38Å
18P42.6Very low43.3Very low118 Ų118137 Ų13777%0.76680%0.801SS**  trans-77.2114.9163.828.6-27.3000108.1V16V16-P18 WeakPolarHBondContact O-CD 3.36Å
19A49.1Very low43.2Very low93 Ų93134 Ų13477%0.76980%0.802SS**  trans-61.1135.6164.700000108.7Q17Q17-A19 PolarHBondContact O-N 3.38Å
20N43.7Very low43.3Very low165 Ų165137.7 Ų137.788%0.88281%0.806SS**SBendtrans94.981.2166.7-135.820.2000116.9G22N20-G22 PolarHBondContact O-N 3.45Å
21G52.5Low43.1Very low79 Ų79135 Ų13581%0.81481%0.809SS**  trans48.365.3132.900000118.4
22G38.7Very low42.9Very low72 Ų72131.9 Ų131.974%0.74281%0.808SS**  trans-113.3114.5164.300000110.5N20 A24N20-G22 PolarHBondContact O-N 3.45Å; G22-A24 PolarHBondContact O-N 3.13Å
23H45.2Very low42.9Very low175 Ų175135 Ų13581%0.8181%0.809SS**  trans-68113.1174.7-71.4-88.8000110Y25H23-Y25 HydrophobicContact CB-CE2 4.25Å
24A40.3Very low42.8Very low101 Ų101137.8 Ų137.884%0.83581%0.811SS**  trans-83.4111.5168.800000108.9G22 L26G22-A24 PolarHBondContact O-N 3.13Å; A24-L26 PolarHBondContact O-N 3.4Å
25Y42.9Very low42.3Very low206 Ų206138.4 Ų138.481%0.80881%0.81SS**  trans-82.2110.8171.7-80.9-89.9000109.4H23H23-Y25 HydrophobicContact CB-CE2 4.25Å
26L42.2Very low42.5Very low170 Ų170137.1 Ų137.189%0.8981%0.805SS**  trans-85.4113.4170.7-166.775.3000108A24 G28A24-L26 PolarHBondContact O-N 3.4Å; L26-G28 PolarHBondContact O-N 3.02Å
27F38.5Very low42.5Very low200 Ų200137 Ų13788%0.87781%0.81SS**  trans-72.3106.6173.2-93.7-92.6000109.6
28G39Very low42.4Very low75 Ų75137.6 Ų137.677%0.77381%0.813SS**  trans-88126170.200000110.9L26L26-G28 PolarHBondContact O-N 3.02Å
29T38.2Very low42.3Very low122 Ų122141.5 Ų141.575%0.74882%0.821SS**  trans-79130177.249.70000112
30N40.3Very low42.1Very low147 Ų147144.2 Ų144.279%0.78682%0.823SS**  trans79.4126.9145.6-48.74.5000120.3
31S38.5Very low42.1Very low119 Ų119139.2 Ų139.283%0.83281%0.81SS**  trans82.796.1144.1-58.20000119.1
32S42.5Very low41.5Very low123 Ų123141.6 Ų141.686%0.8680%0.8SS**  -168.2140.5116.459.30000110.7
33E45.2Very low41.5Very low192 Ų192143.8 Ų143.890%0.89780%0.803SS**  trans-80.1150.2-169.2-40.3176.2127.800109.5
34N40.3Very low41.5Very low149 Ų149142.5 Ų142.580%0.79780%0.796SS**  trans126.4137149.5-159.449.8000116.5
35D36.5Very low41.9Very low134 Ų134146.9 Ų146.972%0.71780%0.799SS**  trans91.3120.1166.5-90.7-58.6000121
36L45.3Very low42.2Very low154 Ų154144.6 Ų144.681%0.80680%0.8SS**  trans-79.5123.1-178.6-63.1157.8000108.3
37S42.8Very low42.4Very low119 Ų119147.4 Ų147.483%0.83280%0.799SS**  trans-139.497.1159.162.60000109.4
38E45.4Very low43.1Very low177 Ų177143.6 Ų143.683%0.82780%0.797SS**  trans-80.4101165.627.3-172.3111.900108.4
39E42.1Very low43.8Very low199 Ų199151.1 Ų151.193%0.9380%0.802SS**  trans-149.392.2150.8-88.4-140.5102.700107.7
40D44.9Very low44.6Very low151 Ų151147.8 Ų147.881%0.80779%0.792SS**  trans-89.6134161.6-17629000108.2
41G43.7Very low45.2Very low60 Ų60149.6 Ų149.662%0.61979%0.793SS**  trans164.433.2-172.600000115.6S43G41-S43 PolarHBondContact O-N 2.89Å; G41-S43 VanDerWaalsContact O-N 3.16Å
42E39.7Very low45.9Very low129 Ų129150.3 Ų150.360%0.60379%0.788SS**  trans4857.6138.3-46.9-161.6159.400118.4F44E42-F44 VanDerWaalsContact C-N 3.27Å; E42-F44 HydrophobicContact CB-CD2 4.21Å; E42-F44 HydrophobicContact CB-CE1 4.12Å; E42-F44 HydrophobicContact CB-CE2 3.56Å; E42-F44 HydrophobicContact CB-CZ 3.53Å; E42-F44 VanDerWaalsContact CD-CZ 3.47Å; E42-F44 HydrophobicContact CG-CE1 4.47Å; E42-F44 HydrophobicContact CG-CE2 4.32Å; E42-F44 HydrophobicContact CG-CZ 3.86Å; E42-F44 PolarHBondContact O-N 3.23Å; E42-F44 VanDerWaalsContact OE2-CE2 3.3Å; E42-F44 WeakPolarHBondContact OE2-CE2 3.42Å; E42-F44 WeakPolarHBondContact OE2-CZ 3.25Å
43S38.6Very low46.5Very low117 Ų117154.1 Ų154.182%0.81878%0.783SS**  trans-78.181.715917.80000109.1G41 E45G41-S43 PolarHBondContact O-N 2.89Å; G41-S43 VanDerWaalsContact O-N 3.16Å; S43-E45 PolarHBondContact O-N 3.25Å
44F45.3Very low47Very low149 Ų149151.8 Ų151.865%0.65478%0.776SS**  trans-71.385168.3-45-71.5000109.3E42 L46E42-F44 VanDerWaalsContact C-N 3.27Å; E42-F44 HydrophobicContact CB-CD2 4.21Å; E42-F44 HydrophobicContact CB-CE1 4.12Å; E42-F44 HydrophobicContact CB-CE2 3.56Å; E42-F44 HydrophobicContact CB-CZ 3.53Å; E42-F44 VanDerWaalsContact CD-CZ 3.47Å; E42-F44 HydrophobicContact CG-CE1 4.47Å; E42-F44 HydrophobicContact CG-CE2 4.32Å; E42-F44 HydrophobicContact CG-CZ 3.86Å; E42-F44 PolarHBondContact O-N 3.23Å; E42-F44 VanDerWaalsContact OE2-CE2 3.3Å; E42-F44 WeakPolarHBondContact OE2-CE2 3.42Å; E42-F44 WeakPolarHBondContact OE2-CZ 3.25Å; F44-L46 PolarHBondContact O-N 3.49Å
45E47Very low47.6Very low192 Ų192156.1 Ų156.190%0.89778%0.781SS**  trans-6983.2169.2-142.7179.8-16500108.4S43 R47S43-E45 PolarHBondContact O-N 3.25Å; E45-R47 VanDerWaalsContact C-N 3.28Å; E45-R47 PolarHBondContact O-N 3.07Å
46L50.2Low48.2Very low159 Ų159157.1 Ų157.183%0.83278%0.779SS**  trans-6693.2170.8-72.3175.7000108F44 S48F44-L46 PolarHBondContact O-N 3.49Å; L46-S48 PolarHBondContact O-N 3.27Å
47R47.3Very low48.4Very low228 Ų228152.6 Ų152.686%0.8676%0.76SS**  trans-42.2116.4162.9-175.5-179.4-176.785.3-1.7108.1E45 R49E45-R47 VanDerWaalsContact C-N 3.28Å; E45-R47 PolarHBondContact O-N 3.07Å; R47-R49 PolarHBondContact O-N 2.93Å
48S51.6Low48.9Very low121 Ų121151.2 Ų151.285%0.84675%0.747SS**  trans-69.372.4178.650.20000110.6L46 G50L46-S48 PolarHBondContact O-N 3.27Å; S48-G50 PolarHBondContact O-N 2.67Å
49R53.7Low49.3Very low233 Ų233146.4 Ų146.488%0.87973%0.733SS**  trans-75.1115.5171.8-168.6180171.8174.8-2.4107.7R47R47-R49 PolarHBondContact O-N 2.93Å
50G55.1Low49.8Very low52 Ų52143.8 Ų143.854%0.53672%0.718SS.*  trans96.1102.8160.500000113.7S48 D52S48-G50 PolarHBondContact O-N 2.67Å; G50-D52 PolarHBondContact O-N 3.25Å
51K54.3Low50.2Low184 Ų184143.3 Ų143.380%0.871%0.712SS**  trans-65.570.1160.7-169.2169.679.4175.20109.2R53K51-R53 HydrophobicContact CG-CG 4.02Å; K51-R53 PolarHBondContact O-N 2.88Å
52D53.6Low50.8Low135 Ų135148.2 Ų148.272%0.72271%0.711SS**  trans-78.157172.1-80.8-50000111G50 L54G50-D52 PolarHBondContact O-N 3.25Å; D52-L54 PolarHBondContact O-N 3.45Å
53R54.4Low51.6Low203 Ų203146.5 Ų146.577%0.76671%0.706SS**THydrogen-bonded Turntrans-86.138.1168.3-61-172.7-166.3-111.81.6111.2K51K51-R53 HydrophobicContact CG-CG 4.02Å; K51-R53 PolarHBondContact O-N 2.88Å
54L56.1Low52.4Low142 Ų142146.4 Ų146.474%0.74370%0.696SS**THydrogen-bonded Turntrans-126.910.7178.8-160.957000115D52D52-L54 PolarHBondContact O-N 3.45Å
55R52.1Low53.4Low240 Ų240141 Ų14191%0.90667%0.674SS**SBendtrans-118.733.7170.7-63.9-154.3-173-166.35.4114.2
56K49.6Very low54.6Low156 Ų156133.9 Ų133.968%0.67864%0.642SS**SBendtrans-111.12.4174.3-81137.9177.7169.10114
57S49.3Very low55.9Low59 Ų59130.6 Ų130.641%0.41362%0.624SS.*Hα-helixtrans-90.9-32.3-172.841.50000114.7S59 E61S57-S59 PolarHBondContact O-N 3.46Å; S57-E61 WeakPolarHBondContact O-CB 3.36Å; S57-E61 PolarHBondContact O-N 2.86Å; S57-E61 VanDerWaalsContact O-N 3.14Å
58T53Low57.4Low89 Ų89126.2 Ų126.255%0.54661%0.609SS.*Hα-helixtrans-79.5-17.9-170.873.90000114.9R62T58-R62 WeakPolarHBondContact O-CG 3.35Å; T58-R62 PolarHBondContact O-NH1 2.72Å
59S54Low58.6Low77 Ų77122.1 Ų122.154%0.53858%0.577SS.*Hα-helixtrans-89.3-33.4176.9600000112.3S57S57-S59 PolarHBondContact O-N 3.46Å
60K53Low59.8Low143 Ų143115.3 Ų115.362%0.62257%0.565SS**Hα-helixtrans-81.3-36.9-179.2-162.9170176.8171.40112.1R62 L63K60-R62 PolarHBondContact O-N 3.48Å; K60-L63 WeakPolarHBondContact O-CB 3.35Å; K60-L63 PolarHBondContact O-N 2.98Å
61E52.8Low60.8Low142 Ų142115.3 Ų115.366%0.66455%0.549SS*.THydrogen-bonded Turntrans-64.4-26.3177.1-170.4174.2-166.600113S57 L63S57-E61 WeakPolarHBondContact O-CB 3.36Å; S57-E61 PolarHBondContact O-N 2.86Å; S57-E61 VanDerWaalsContact O-N 3.14Å; E61-L63 VanDerWaalsContact C-N 3.34Å
62R55.8Low61.9Low162 Ų162111.7 Ų111.761%0.61154%0.538SS*.THydrogen-bonded Turntrans-76.3-14.8172.4-69.5-169.3-169.5105.8-9.7114.5T58 K60 I66T58-R62 WeakPolarHBondContact O-CG 3.35Å; T58-R62 PolarHBondContact O-NH1 2.72Å; K60-R62 PolarHBondContact O-N 3.48Å; R62-I66 WeakPolarHBondContact O-CD1 3.42Å; R62-I66 VanDerWaalsContact O-CG1 3.3Å; R62-I66 WeakPolarHBondContact O-CG1 3.43Å
63L56.2Low62.8Low94 Ų94106.5 Ų106.549%0.49251%0.511SS..THydrogen-bonded Turntrans-86.6-28.5-177.9-63.1175.3000112.2K60 E61 D65 I66K60-L63 WeakPolarHBondContact O-CB 3.35Å; K60-L63 PolarHBondContact O-N 2.98Å; E61-L63 VanDerWaalsContact C-N 3.34Å; L63-D65 PolarHBondContact O-N 2.69Å; L63-I66 HydrophobicContact CD2-CD1 4Å; L63-I66 PolarHBondContact O-N 2.88Å
64D57.1Low63.7Low114 Ų114103.4 Ų103.461%0.6151%0.506SS*.THydrogen-bonded Turntrans-73.3-15.5-179.9-63.9-37.1000112.2R117D64-R117 PolarHBondContact O-NE 3.16Å; D64-R117 PolarHBondContact O-NH2 3.42Å
65D65.6Low63.9Low37 Ų37106.5 Ų106.520%0.19852%0.516CS..THydrogen-bonded Turntrans-97.615.5176.6-162.241000114.4L63 R116 R117 F118L63-D65 PolarHBondContact O-N 2.69Å; D65-R116 CarbonylContact O-C 3.57Å; D65-R116 VanDerWaalsContact O-CA 3.27Å; D65-R116 WeakPolarHBondContact O-CA 3.27Å; D65-R117 WeakPolarHBondContact O-CG 3.33Å; D65-R117 PolarHBondContact O-N 3.32Å; D65-R117 WeakPolarHBondContact OD1-CB 3.3Å; D65-R117 WeakPolarHBondContact OD1-CG 3.43Å; D65-R117 IonicContact OD1-CZ 3.01Å; D65-R117 PolarHBondContact OD1-N 2.89Å; D65-R117 IonicContact OD1-NE 3.91Å; D65-R117 IonicContact OD1-NH1 2.89Å; D65-R117 PolarHBondContact OD2-N 3.12Å; D65-F118 VanDerWaalsContact CG-CD2 3.49Å; D65-F118 WeakPolarHBondContact OD1-CD2 3.19Å; D65-F118 WeakPolarHBondContact OD1-CE2 3.47Å; D65-F118 WeakPolarHBondContact OD2-CD2 3.44Å
66I72.1Confident64.7Low41 Ų4198.2 Ų98.221%0.2151%0.506CS..EExtended strand (participates in β ladder)trans-106.4111.2-178.9-58.4174.4000109.5R62 L63 Y68 P114R62-I66 WeakPolarHBondContact O-CD1 3.42Å; R62-I66 VanDerWaalsContact O-CG1 3.3Å; R62-I66 WeakPolarHBondContact O-CG1 3.43Å; L63-I66 HydrophobicContact CD2-CD1 4Å; L63-I66 PolarHBondContact O-N 2.88Å; I66-Y68 HydrophobicContact CG2-CE1 4.28Å; I66-Y68 HydrophobicContact CG2-CE2 4.43Å; I66-P114 HydrophobicContact CG2-CB 3.37Å
67I76.4Confident65.9Low91 Ų9192.1 Ų92.147%0.46748%0.48SS..EExtended strand (participates in β ladder)trans-89.1136.3165.4-74.3163000108.6V115 R117I67-V115 PolarHBondContact N-O 2.81Å; I67-V115 PolarHBondContact O-N 3.06Å; I67-R117 HydrophobicContact CB-CG 4.28Å; I67-R117 HydrophobicContact CD1-CB 4.04Å; I67-R117 HydrophobicContact CD1-CG 3.36Å; I67-R117 VanDerWaalsContact CG1-CD 3.4Å; I67-R117 HydrophobicContact CG1-CG 3.47Å; I67-R117 VanDerWaalsContact CG1-CG 3.47Å
68Y80.8Confident67.6Low136 Ų13692.3 Ų92.353%0.53348%0.479SS..EExtended strand (participates in β ladder)trans-92.2113.1171.2-62.4-82.1000109.8I66 A96 I113 P114I66-Y68 HydrophobicContact CG2-CE1 4.28Å; I66-Y68 HydrophobicContact CG2-CE2 4.43Å; Y68-A96 HydrophobicContact CE1-CB 4.13Å; Y68-I113 WeakPolarHBondContact CA-O 3.18Å; Y68-P114 HydrophobicContact CD1-CB 4.38Å; Y68-P114 HydrophobicContact CE1-CB 4.16Å
69L76.2Confident68.8Low35 Ų3588.5 Ų88.518%0.18346%0.455CS..EExtended strand (participates in β ladder)trans-89.5130.1169-178.172.6000109.6Y86 K112 I113 V115 H125L69-Y86 HydrophobicContact CD2-CD1 3.7Å; L69-Y86 HydrophobicContact CD2-CE1 3.06Å; L69-K112 CarbonylContact O-C 3.59Å; L69-K112 WeakPolarHBondContact O-CA 3.27Å; L69-I113 PolarHBondContact N-O 3.31Å; L69-I113 PolarHBondContact O-N 3.23Å; L69-V115 HydrophobicContact CB-CG2 4.17Å; L69-H125 WeakPolarHBondContact CD2-NE2 3.27Å
70S78.9Confident70.3Confident89 Ų8989.3 Ų89.362%0.62245%0.454SS*.EExtended strand (participates in β ladder)trans-94.6124.6173-59.50000109.9I111S70-I111 WeakPolarHBondContact CA-O 3.41Å
71R75.9Confident71.8Confident52 Ų5284.6 Ų84.620%0.19644%0.439CS..EExtended strand (participates in β ladder)trans-127.3137.8178.2-176-151.6-177.7-103.69.9109.5D77 S110 I111 I113R71-D77 IonicContact CZ-OD1 3.58Å; R71-D77 IonicContact CZ-OD2 2.7Å; R71-D77 IonicContact NH1-OD2 3.12Å; R71-D77 PolarHBondContact NH1-OD2 3.48Å; R71-D77 IonicContact NH2-OD1 2.66Å; R71-D77 PolarHBondContact NH2-OD1 3.09Å; R71-D77 IonicContact NH2-OD2 2.72Å; R71-D77 PolarHBondContact NH2-OD2 3.45Å; R71-S110 CarbonylContact O-C 3.59Å; R71-S110 WeakPolarHBondContact O-CA 3.18Å; R71-I111 HydrophobicContact CB-CG2 4.2Å; R71-I111 PolarHBondContact N-O 3.19Å; R71-I111 PolarHBondContact O-N 2.96Å; R71-I113 HydrophobicContact CB-CD1 3.93Å
72D76.1Confident73.2Confident109 Ų10977.9 Ų77.958%0.58341%0.408SS*.EExtended strand (participates in β ladder)trans-72.5136.4170.6-64.8-29.1000110.4R109D72-R109 CarbonylContact C-O 3.52Å; D72-R109 WeakPolarHBondContact CA-O 3.3Å
73V74.4Confident74.5Confident25 Ų2570.5 Ų70.515%0.15238%0.381CS..PPolyproline II helixtrans-86.5126178.81800000108.4F105 L108 R109 I111V73-F105 HydrophobicContact CG1-CE1 3.75Å; V73-F105 HydrophobicContact CG1-CE2 4.06Å; V73-F105 HydrophobicContact CG1-CZ 3.51Å; V73-F105 HydrophobicContact CG2-CE2 3.96Å; V73-F105 HydrophobicContact CG2-CZ 4.21Å; V73-L108 WeakPolarHBondContact CB-O 3.12Å; V73-R109 PolarHBondContact N-O 3.44Å; V73-I111 HydrophobicContact CG2-CB 3.81Å; V73-I111 HydrophobicContact CG2-CG2 3.76Å
74Q72.9Confident75.8Confident139 Ų13971.5 Ų71.565%0.6539%0.386SS*.PPolyproline II helixtrans-99.4149173.6-61.3-171.6-16.500110.6G76 D77Q74-G76 PolarHBondContact O-N 3.37Å; Q74-D77 WeakPolarHBondContact CB-OD2 3.34Å; Q74-D77 PolarHBondContact N-OD2 3.06Å; Q74-D77 PolarHBondContact O-N 3.42Å
75E59.9Low76.9Confident206 Ų20672.6 Ų72.696%0.96339%0.388SS*.THydrogen-bonded Turntrans-64.394.4175.3-66.7174.6-166.300109.7
76G68.6Low77.4Confident67 Ų6773.1 Ų73.169%0.69139%0.387SS*.THydrogen-bonded Turntrans135.3-16-17400000113.5Q74Q74-G76 PolarHBondContact O-N 3.37Å
77D74.9Confident77.6Confident27 Ų2777.4 Ų77.414%0.14441%0.406CS..  trans-71.6148166.3-68-52000110.4R71 Q74 I82 F105R71-D77 IonicContact CZ-OD1 3.58Å; R71-D77 IonicContact CZ-OD2 2.7Å; R71-D77 IonicContact NH1-OD2 3.12Å; R71-D77 PolarHBondContact NH1-OD2 3.48Å; R71-D77 IonicContact NH2-OD1 2.66Å; R71-D77 PolarHBondContact NH2-OD1 3.09Å; R71-D77 IonicContact NH2-OD2 2.72Å; R71-D77 PolarHBondContact NH2-OD2 3.45Å; Q74-D77 WeakPolarHBondContact CB-OD2 3.34Å; Q74-D77 PolarHBondContact N-OD2 3.06Å; Q74-D77 PolarHBondContact O-N 3.42Å; D77-I82 HydrophobicContact CB-CD1 4.21Å; D77-I82 HydrophobicContact CB-CG1 4.44Å; D77-F105 HydrophobicContact CB-CZ 4.28Å; D77-F105 VanDerWaalsContact O-CE1 3.31Å; D77-F105 WeakPolarHBondContact O-CE1 3.29Å
78T84.1Confident77.8Confident64 Ų6473.9 Ų73.939%0.39339%0.389SS..  trans-119.5154.6169.557.90000108.1N80 S81 I82T78-N80 PolarHBondContact O-N 2.86Å; T78-N80 VanDerWaalsContact O-N 3.1Å; T78-S81 PolarHBondContact N-OG 3.28Å; T78-S81 PolarHBondContact O-N 3.47Å; T78-S81 PolarHBondContact O-OG 3.13Å; T78-S81 PolarHBondContact OG1-N 2.91Å; T78-S81 PolarHBondContact OG1-OG 3.37Å; T78-I82 PolarHBondContact O-N 3.25Å; T78-I82 VanDerWaalsContact O-N 3.07Å
79L79.8Confident77.9Confident8 Ų869.9 Ų69.94%0.04238%0.381CS..Hα-helixtrans-56.7-30.1174-166.960.9000111.9A83 V90 I93 K94 F105 I111L79-A83 WeakPolarHBondContact O-CB 3.24Å; L79-A83 PolarHBondContact O-N 2.95Å; L79-V90 HydrophobicContact CD2-CG1 3.63Å; L79-V90 HydrophobicContact CG-CG1 3.95Å; L79-I93 HydrophobicContact CD1-CB 3.88Å; L79-I93 HydrophobicContact CD1-CD1 3.97Å; L79-I93 HydrophobicContact CD1-CG2 3.5Å; L79-K94 HydrophobicContact CD2-CD 4.11Å; L79-K94 VanDerWaalsContact CD2-CE 3.42Å; L79-K94 HydrophobicContact CD2-CG 3.5Å; L79-F105 HydrophobicContact CB-CD2 4.32Å; L79-F105 HydrophobicContact CB-CE2 4.5Å; L79-F105 HydrophobicContact CB-CG 4.48Å; L79-F105 HydrophobicContact CD1-CD2 3.9Å; L79-F105 HydrophobicContact CD1-CE2 4.06Å; L79-I111 HydrophobicContact CD1-CD1 3.67Å
80N85Confident78.1Confident94 Ų9470.2 Ų70.250%0.50339%0.385SS..Hα-helixtrans-69.6-44.3174.1-169.352.4000112.8T78 I82 A83 L84T78-N80 PolarHBondContact O-N 2.86Å; T78-N80 VanDerWaalsContact O-N 3.1Å; N80-I82 VanDerWaalsContact C-N 3.29Å; N80-I82 PolarHBondContact O-N 3.44Å; N80-A83 PolarHBondContact O-N 2.69Å; N80-L84 VanDerWaalsContact O-CG 3.27Å; N80-L84 WeakPolarHBondContact O-CG 3.47Å; N80-L84 PolarHBondContact O-N 3.33Å
81S85.4Confident78.1Confident44 Ų4468.8 Ų68.831%0.30838%0.378SS..Hα-helixtrans-62.9-38.7177.364.20000111.5T78 L84 Q85T78-S81 PolarHBondContact N-OG 3.28Å; T78-S81 PolarHBondContact O-N 3.47Å; T78-S81 PolarHBondContact O-OG 3.13Å; T78-S81 PolarHBondContact OG1-N 2.91Å; T78-S81 PolarHBondContact OG1-OG 3.37Å; S81-L84 PolarHBondContact O-N 3.04Å; S81-Q85 VanDerWaalsContact O-CB 3.3Å; S81-Q85 WeakPolarHBondContact O-CB 3.46Å; S81-Q85 PolarHBondContact O-N 3.42Å
82I81Confident78.3Confident2 Ų268.1 Ų68.11%0.0138%0.379CS..Hα-helixtrans-68.8-43.6175.3-62.8177.1000111D77 T78 N80 L84 Q85 Y86 I93 F105 I111 I113D77-I82 HydrophobicContact CB-CD1 4.21Å; D77-I82 HydrophobicContact CB-CG1 4.44Å; T78-I82 PolarHBondContact O-N 3.25Å; T78-I82 VanDerWaalsContact O-N 3.07Å; N80-I82 VanDerWaalsContact C-N 3.29Å; N80-I82 PolarHBondContact O-N 3.44Å; I82-L84 VanDerWaalsContact C-N 3.28Å; I82-L84 PolarHBondContact O-N 3.49Å; I82-Q85 PolarHBondContact O-N 2.77Å; I82-Y86 HydrophobicContact CG2-CD2 3.72Å; I82-Y86 HydrophobicContact CG2-CE2 4.06Å; I82-Y86 VanDerWaalsContact O-CD2 3.3Å; I82-Y86 WeakPolarHBondContact O-CD2 3.49Å; I82-Y86 PolarHBondContact O-N 2.95Å; I82-I93 HydrophobicContact CG2-CD1 4.3Å; I82-F105 HydrophobicContact CD1-CE2 3.69Å; I82-F105 HydrophobicContact CD1-CZ 3.56Å; I82-I111 HydrophobicContact CD1-CG2 4.22Å; I82-I113 HydrophobicContact CG2-CD1 3.34Å; I82-I113 HydrophobicContact CG2-CG1 3.87Å
83A83.1Confident78.5Confident6 Ų663 Ų635%0.0535%0.351CS..Hα-helixtrans-56.1-43.8175.500000112.4L79 N80 H87 C88 V90 I93L79-A83 WeakPolarHBondContact O-CB 3.24Å; L79-A83 PolarHBondContact O-N 2.95Å; N80-A83 PolarHBondContact O-N 2.69Å; A83-H87 WeakPolarHBondContact O-CA 3.36Å; A83-H87 PolarHBondContact O-N 3.36Å; A83-C88 CarbonylContact C-O 3.54Å; A83-C88 WeakPolarHBondContact CA-O 3.42Å; A83-C88 VanDerWaalsContact CB-O 3.25Å; A83-C88 WeakPolarHBondContact CB-O 3.42Å; A83-C88 PolarHBondContact O-N 3.06Å; A83-V90 HydrophobicContact CB-CG2 3.57Å; A83-I93 HydrophobicContact CB-CD1 3.87Å
84L83.4Confident78.8Confident115 Ų11564.4 Ų64.460%0.60236%0.355SS*.Hα-helixtrans-67.2-44176-67.7171.8000111.9N80 S81 I82 Y86 H87N80-L84 VanDerWaalsContact O-CG 3.27Å; N80-L84 WeakPolarHBondContact O-CG 3.47Å; N80-L84 PolarHBondContact O-N 3.33Å; S81-L84 PolarHBondContact O-N 3.04Å; I82-L84 VanDerWaalsContact C-N 3.28Å; I82-L84 PolarHBondContact O-N 3.49Å; L84-Y86 VanDerWaalsContact C-N 3.31Å; L84-Y86 PolarHBondContact O-N 3.27Å; L84-H87 PolarHBondContact O-N 3.07Å
85Q81.2Confident79Confident137 Ų13765.7 Ų65.764%0.6435%0.354SS*.Hα-helixtrans-62.3-36.5-179-176.361.273.100113.1S81 I82S81-Q85 VanDerWaalsContact O-CB 3.3Å; S81-Q85 WeakPolarHBondContact O-CB 3.46Å; S81-Q85 PolarHBondContact O-N 3.42Å; I82-Q85 PolarHBondContact O-N 2.77Å
86Y76.1Confident79.7Confident48 Ų4857.2 Ų57.219%0.18832%0.319CS..THydrogen-bonded Turntrans-107.110.3-176.5-66.1-79.2000113.2L69 I82 L84 C88 I113L69-Y86 HydrophobicContact CD2-CD1 3.7Å; L69-Y86 HydrophobicContact CD2-CE1 3.06Å; I82-Y86 HydrophobicContact CG2-CD2 3.72Å; I82-Y86 HydrophobicContact CG2-CE2 4.06Å; I82-Y86 VanDerWaalsContact O-CD2 3.3Å; I82-Y86 WeakPolarHBondContact O-CD2 3.49Å; I82-Y86 PolarHBondContact O-N 2.95Å; L84-Y86 VanDerWaalsContact C-N 3.31Å; L84-Y86 PolarHBondContact O-N 3.27Å; Y86-C88 PolarHBondContact O-N 2.94Å; Y86-C88 VanDerWaalsContact O-N 3.12Å; Y86-I113 HydrophobicContact CD2-CD1 3.57Å; Y86-I113 HydrophobicContact CD2-CG2 4.43Å; Y86-I113 HydrophobicContact CE2-CD1 3.57Å; Y86-I113 HydrophobicContact CG-CD1 4.14Å; Y86-I113 HydrophobicContact CG-CG2 4.09Å
87H75.8Confident79.9Confident132 Ų13255.3 Ų55.361%0.61129%0.293SS*.THydrogen-bonded Turntrans47.740.3-179.5-60.5-73.2000113.6A83 L84A83-H87 WeakPolarHBondContact O-CA 3.36Å; A83-H87 PolarHBondContact O-N 3.36Å; L84-H87 PolarHBondContact O-N 3.07Å
88C79.4Confident79.8Confident17 Ų1759.1 Ų59.112%0.11531%0.314CS..  trans-115.6152.6179.953.70000110A83 Y86 I93 I113A83-C88 CarbonylContact C-O 3.54Å; A83-C88 WeakPolarHBondContact CA-O 3.42Å; A83-C88 VanDerWaalsContact CB-O 3.25Å; A83-C88 WeakPolarHBondContact CB-O 3.42Å; A83-C88 PolarHBondContact O-N 3.06Å; Y86-C88 PolarHBondContact O-N 2.94Å; Y86-C88 VanDerWaalsContact O-N 3.12Å; C88-I93 HydrophobicContact CB-CG1 4.42Å; C88-I93 WeakPolarHBondContact SG-CD1 3.47Å; C88-I93 VanDerWaalsContact SG-CG1 3.59Å; C88-I113 HydrophobicContact CB-CG2 4.41Å; C88-I113 WeakPolarHBondContact SG-CG2 3.47Å
89S82.8Confident79.1Confident52 Ų5256.7 Ų56.736%0.36430%0.298SS..  trans-76140.8177.881.40000109.9A91 D92 I93S89-A91 PolarHBondContact O-N 3.39Å; S89-A91 VanDerWaalsContact O-N 3.15Å; S89-D92 WeakPolarHBondContact O-CB 3.45Å; S89-D92 PolarHBondContact O-N 3.01Å; S89-D92 WeakPolarHBondContact OG-CB 3.3Å; S89-D92 PolarHBondContact OG-N 2.98Å; S89-D92 PolarHBondContact OG-OD2 3.48Å; S89-I93 PolarHBondContact O-N 3.27Å; S89-I93 VanDerWaalsContact O-N 3.14Å
90V81.9Confident78.1Confident42 Ų4263.9 Ų63.926%0.25534%0.336SS..Hα-helixtrans-52.8-37.4174.1172.50000110.7L79 A83 D92 I93 K94L79-V90 HydrophobicContact CD2-CG1 3.63Å; L79-V90 HydrophobicContact CG-CG1 3.95Å; A83-V90 HydrophobicContact CB-CG2 3.57Å; V90-D92 PolarHBondContact O-N 3.29Å; V90-I93 PolarHBondContact O-N 2.98Å; V90-K94 HydrophobicContact CG1-CD 4.18Å; V90-K94 HydrophobicContact CG1-CG 4.31Å; V90-K94 WeakPolarHBondContact O-CG 3.3Å; V90-K94 PolarHBondContact O-N 3.47Å
91A79.3Confident77Confident58 Ų5862.7 Ų62.748%0.47933%0.332SS..Hα-helixtrans-62.7-38.5176.400000112.9S89 R95S89-A91 PolarHBondContact O-N 3.39Å; S89-A91 VanDerWaalsContact O-N 3.15Å; A91-R95 WeakPolarHBondContact O-CB 3.38Å; A91-R95 WeakPolarHBondContact O-CG 3.49Å; A91-R95 PolarHBondContact O-N 3.02Å
92D79.8Confident76Confident39 Ų3966.3 Ų66.321%0.20934%0.344CS..Hα-helixtrans-69-40.2177.5-67.1-38.8000111.5S89 V90 R95 A96 P114S89-D92 WeakPolarHBondContact O-CB 3.45Å; S89-D92 PolarHBondContact O-N 3.01Å; S89-D92 WeakPolarHBondContact OG-CB 3.3Å; S89-D92 PolarHBondContact OG-N 2.98Å; S89-D92 PolarHBondContact OG-OD2 3.48Å; V90-D92 PolarHBondContact O-N 3.29Å; D92-R95 PolarHBondContact O-N 3.44Å; D92-R95 IonicContact OD1-NH1 2.66Å; D92-R95 PolarHBondContact OD1-NH1 3.06Å; D92-A96 WeakPolarHBondContact O-CB 3.42Å; D92-A96 PolarHBondContact O-N 2.97Å; D92-P114 HydrophobicContact CB-CG 3.81Å
93I80.6Confident75.1Confident0 Ų073.7 Ų73.70%038%0.378CS..Hα-helixtrans-67.1-43.2175.7-48.1170.7000111L79 I82 A83 C88 S89 V90 R95 A96 N97 I111L79-I93 HydrophobicContact CD1-CB 3.88Å; L79-I93 HydrophobicContact CD1-CD1 3.97Å; L79-I93 HydrophobicContact CD1-CG2 3.5Å; I82-I93 HydrophobicContact CG2-CD1 4.3Å; A83-I93 HydrophobicContact CB-CD1 3.87Å; C88-I93 HydrophobicContact CB-CG1 4.42Å; C88-I93 WeakPolarHBondContact SG-CD1 3.47Å; C88-I93 VanDerWaalsContact SG-CG1 3.59Å; S89-I93 PolarHBondContact O-N 3.27Å; S89-I93 VanDerWaalsContact O-N 3.14Å; V90-I93 PolarHBondContact O-N 2.98Å; I93-R95 VanDerWaalsContact C-N 3.32Å; I93-R95 PolarHBondContact O-N 3.36Å; I93-A96 PolarHBondContact O-N 3.5Å; I93-N97 PolarHBondContact O-N 2.92Å; I93-N97 VanDerWaalsContact O-N 3.11Å; I93-N97 PolarHBondContact O-ND2 2.99Å; I93-I111 HydrophobicContact CG2-CD1 3.44Å; I93-I111 VanDerWaalsContact CG2-CD1 3.44Å; I93-I111 HydrophobicContact CG2-CG1 3.9Å
94K79.9Confident74Confident56 Ų5676.4 Ų76.424%0.24339%0.392CS..Hα-helixtrans-58.7-45.2175.7-72.2-172.9-179.4-179.10110.8L79 V90 N97 N98 L99 E102L79-K94 HydrophobicContact CD2-CD 4.11Å; L79-K94 VanDerWaalsContact CD2-CE 3.42Å; L79-K94 HydrophobicContact CD2-CG 3.5Å; V90-K94 HydrophobicContact CG1-CD 4.18Å; V90-K94 HydrophobicContact CG1-CG 4.31Å; V90-K94 WeakPolarHBondContact O-CG 3.3Å; V90-K94 PolarHBondContact O-N 3.47Å; K94-N97 PolarHBondContact O-N 3.19Å; K94-N98 WeakPolarHBondContact O-CA 3.47Å; K94-N98 PolarHBondContact O-N 2.86Å; K94-L99 HydrophobicContact CB-CB 4.46Å; K94-L99 HydrophobicContact CG-CB 4.38Å; K94-L99 PolarHBondContact O-N 2.88Å; K94-E102 IonicContact NZ-OE1 3.85Å; K94-E102 PolarHBondContact NZ-OE1 3.07Å
95R77.6Confident73.2Confident166 Ų16671.1 Ų71.163%0.62636%0.364SS*.Hα-helixtrans-63.7-41.1176.5-77171.657.1-112-9.5113A91 D92 I93 N97A91-R95 WeakPolarHBondContact O-CB 3.38Å; A91-R95 WeakPolarHBondContact O-CG 3.49Å; A91-R95 PolarHBondContact O-N 3.02Å; D92-R95 PolarHBondContact O-N 3.44Å; D92-R95 IonicContact OD1-NH1 2.66Å; D92-R95 PolarHBondContact OD1-NH1 3.06Å; I93-R95 VanDerWaalsContact C-N 3.32Å; I93-R95 PolarHBondContact O-N 3.36Å; R95-N97 VanDerWaalsContact C-N 3.32Å; R95-N97 PolarHBondContact O-N 2.68Å
96A74.1Confident72.4Confident28 Ų2870.6 Ų70.623%0.23136%0.36CS..Hα-helixtrans-69.5-28.2-178.500000113.5Y68 D92 I93 P114Y68-A96 HydrophobicContact CE1-CB 4.13Å; D92-A96 WeakPolarHBondContact O-CB 3.42Å; D92-A96 PolarHBondContact O-N 2.97Å; I93-A96 PolarHBondContact O-N 3.5Å; A96-P114 HydrophobicContact CB-CG 3.97Å
97N72.9Confident72Confident26 Ų2672.2 Ų72.214%0.13938%0.384CS..Hα-helixtrans-108.33.1-177.6-65.2-80.9000114I93 K94 R95 L99 L108 I111 K112I93-N97 PolarHBondContact O-N 2.92Å; I93-N97 VanDerWaalsContact O-N 3.11Å; I93-N97 PolarHBondContact O-ND2 2.99Å; K94-N97 PolarHBondContact O-N 3.19Å; R95-N97 VanDerWaalsContact C-N 3.32Å; R95-N97 PolarHBondContact O-N 2.68Å; N97-L99 HydrophobicContact CB-CD1 3.99Å; N97-L99 HydrophobicContact CB-CD2 4.48Å; N97-L99 HydrophobicContact CB-CG 3.77Å; N97-L99 PolarHBondContact O-N 3.3Å; N97-L108 HydrophobicContact CB-CD1 4.5Å; N97-I111 VanDerWaalsContact ND2-CG1 3.31Å; N97-I111 WeakPolarHBondContact ND2-CG1 3.35Å; N97-K112 PolarHBondContact ND2-O 3.11Å; N97-K112 WeakPolarHBondContact OD1-CB 3.42Å; N97-K112 PolarHBondContact OD1-N 3Å
98N71.6Confident71.6Confident108 Ų10869.1 Ų69.158%0.57837%0.371SS*.THydrogen-bonded Turntrans55.535.3-175.1-64.9103.5000113.6K94 L100K94-N98 WeakPolarHBondContact O-CA 3.47Å; K94-N98 PolarHBondContact O-N 2.86Å; N98-L100 PolarHBondContact O-N 2.9Å
99L71.1Confident70.8Confident12 Ų1278.5 Ų78.56%0.06340%0.404CS..  trans-79.3112.6178.1-61.2171.9000109.4K94 N97 D104 F105 L108 I111K94-L99 HydrophobicContact CB-CB 4.46Å; K94-L99 HydrophobicContact CG-CB 4.38Å; K94-L99 PolarHBondContact O-N 2.88Å; N97-L99 HydrophobicContact CB-CD1 3.99Å; N97-L99 HydrophobicContact CB-CD2 4.48Å; N97-L99 HydrophobicContact CB-CG 3.77Å; N97-L99 PolarHBondContact O-N 3.3Å; L99-D104 HydrophobicContact CD2-CB 3.62Å; L99-F105 HydrophobicContact CD1-CB 4.16Å; L99-F105 HydrophobicContact CD1-CD2 4.29Å; L99-L108 HydrophobicContact CD2-CD1 3.63Å; L99-L108 HydrophobicContact CD2-CG 4.34Å; L99-I111 HydrophobicContact CD1-CD1 4.24Å
100L57.5Low70.2Confident160 Ų16079.1 Ų79.184%0.83841%0.409SS*.SBendtrans-83-30.9177.1-123.967.7000110.9N98 D104N98-L100 PolarHBondContact O-N 2.9Å; L100-D104 PolarHBondContact N-OD2 2.71Å
101T62.5Low70Confident68 Ų6877.2 Ų77.242%0.41740%0.397SS..SBendtrans-132.6158.9178.765.50000111.9Q103 D104T101-Q103 PolarHBondContact O-N 3.48Å; T101-D104 PolarHBondContact N-OD2 3.33Å; T101-D104 PolarHBondContact O-N 3.16Å; T101-D104 PolarHBondContact OG1-N 2.96Å; T101-D104 PolarHBondContact OG1-OD1 2.83Å; T101-D104 PolarHBondContact OG1-OD2 3.46Å
102E63.4Low69.9Low121 Ų12180 Ų8057%0.56540%0.398SS*.Hα-helixtrans-68-15.4173.2-73.5169.3-16400112.4K94 F105 F106K94-E102 IonicContact NZ-OE1 3.85Å; K94-E102 PolarHBondContact NZ-OE1 3.07Å; E102-F105 WeakPolarHBondContact O-CB 3.48Å; E102-F106 WeakPolarHBondContact O-CD2 3.39Å; E102-F106 WeakPolarHBondContact O-CE2 3.38Å
103Q62.6Low69.9Low156 Ų15678.1 Ų78.173%0.72939%0.388SS*.Hα-helixtrans-74.7-34.6174.2-168173.3-15.200111.9T101 F105 F106 A107T101-Q103 PolarHBondContact O-N 3.48Å; Q103-F105 PolarHBondContact O-N 3.19Å; Q103-F106 PolarHBondContact O-N 2.66Å; Q103-F106 VanDerWaalsContact O-N 3.12Å; Q103-A107 PolarHBondContact O-N 2.88Å
104D61.4Low69.7Low64 Ų6478.8 Ų78.834%0.34239%0.392SS..Hα-helixtrans-63.1-26.4175.3-58.1-39.7000111.9L99 L100 T101 A107 L108L99-D104 HydrophobicContact CD2-CB 3.62Å; L100-D104 PolarHBondContact N-OD2 2.71Å; T101-D104 PolarHBondContact N-OD2 3.33Å; T101-D104 PolarHBondContact O-N 3.16Å; T101-D104 PolarHBondContact OG1-N 2.96Å; T101-D104 PolarHBondContact OG1-OD1 2.83Å; T101-D104 PolarHBondContact OG1-OD2 3.46Å; D104-A107 PolarHBondContact O-N 3.32Å; D104-L108 PolarHBondContact O-N 3.01Å
105F66.1Low69.4Low3 Ų376.7 Ų76.71%0.01338%0.384CS..Hα-helixtrans-63.4-40.9174.9170.4-97.9000111.8V73 D77 L79 I82 L99 E102 Q103 A107 L108 I111V73-F105 HydrophobicContact CG1-CE1 3.75Å; V73-F105 HydrophobicContact CG1-CE2 4.06Å; V73-F105 HydrophobicContact CG1-CZ 3.51Å; V73-F105 HydrophobicContact CG2-CE2 3.96Å; V73-F105 HydrophobicContact CG2-CZ 4.21Å; D77-F105 HydrophobicContact CB-CZ 4.28Å; D77-F105 VanDerWaalsContact O-CE1 3.31Å; D77-F105 WeakPolarHBondContact O-CE1 3.29Å; L79-F105 HydrophobicContact CB-CD2 4.32Å; L79-F105 HydrophobicContact CB-CE2 4.5Å; L79-F105 HydrophobicContact CB-CG 4.48Å; L79-F105 HydrophobicContact CD1-CD2 3.9Å; L79-F105 HydrophobicContact CD1-CE2 4.06Å; I82-F105 HydrophobicContact CD1-CE2 3.69Å; I82-F105 HydrophobicContact CD1-CZ 3.56Å; L99-F105 HydrophobicContact CD1-CB 4.16Å; L99-F105 HydrophobicContact CD1-CD2 4.29Å; E102-F105 WeakPolarHBondContact O-CB 3.48Å; Q103-F105 PolarHBondContact O-N 3.19Å; F105-A107 VanDerWaalsContact C-N 3.26Å; F105-A107 PolarHBondContact O-N 2.74Å; F105-L108 PolarHBondContact O-N 3.33Å; F105-I111 HydrophobicContact CD2-CD1 3.6Å; F105-I111 HydrophobicContact CE2-CD1 3.51Å
106F64.6Low69.1Low126 Ų12676.1 Ų76.155%0.55338%0.382SS*.Hα-helixtrans-74.8-16.5178.4-63.2-75.5000113E102 Q103E102-F106 WeakPolarHBondContact O-CD2 3.39Å; E102-F106 WeakPolarHBondContact O-CE2 3.38Å; Q103-F106 PolarHBondContact O-N 2.66Å; Q103-F106 VanDerWaalsContact O-N 3.12Å
107A66.4Low68.3Low83 Ų8379.5 Ų79.569%0.68639%0.389SS*.Hα-helixtrans-81.4-18.2174.700000112.9Q103 D104 F105Q103-A107 PolarHBondContact O-N 2.88Å; D104-A107 PolarHBondContact O-N 3.32Å; F105-A107 VanDerWaalsContact C-N 3.26Å; F105-A107 PolarHBondContact O-N 2.74Å
108L67.4Low67.4Low66 Ų6685.4 Ų85.435%0.34641%0.414SS..  trans-91.6128.7-179.6-65.6-175.6000111.6V73 N97 L99 D104 F105 S110V73-L108 WeakPolarHBondContact CB-O 3.12Å; N97-L108 HydrophobicContact CB-CD1 4.5Å; L99-L108 HydrophobicContact CD2-CD1 3.63Å; L99-L108 HydrophobicContact CD2-CG 4.34Å; D104-L108 PolarHBondContact O-N 3.01Å; F105-L108 PolarHBondContact O-N 3.33Å; L108-S110 VanDerWaalsContact C-N 3.34Å
109R63.6Low66.5Low214 Ų21482.8 Ų82.881%0.80840%0.404SS*.SBendtrans-74-24.3172.5-173.7175.2169.2109.1-0.9112.7D72 V73D72-R109 CarbonylContact C-O 3.52Å; D72-R109 WeakPolarHBondContact CA-O 3.3Å; V73-R109 PolarHBondContact N-O 3.44Å
110S69.6Low65.7Low66 Ų6688.8 Ų88.846%0.46244%0.441SS..EExtended strand (participates in β ladder)trans-143.7143.518059.10000112.3R71 L108R71-S110 CarbonylContact O-C 3.59Å; R71-S110 WeakPolarHBondContact O-CA 3.18Å; L108-S110 VanDerWaalsContact C-N 3.34Å
111I78.7Confident65.5Low1 Ų186.3 Ų86.31%0.00543%0.427CS..EExtended strand (participates in β ladder)trans-124.4138.4-175.6-167.3164.7000111.8S70 R71 V73 L79 I82 I93 N97 L99 F105 I113S70-I111 WeakPolarHBondContact CA-O 3.41Å; R71-I111 HydrophobicContact CB-CG2 4.2Å; R71-I111 PolarHBondContact N-O 3.19Å; R71-I111 PolarHBondContact O-N 2.96Å; V73-I111 HydrophobicContact CG2-CB 3.81Å; V73-I111 HydrophobicContact CG2-CG2 3.76Å; L79-I111 HydrophobicContact CD1-CD1 3.67Å; I82-I111 HydrophobicContact CD1-CG2 4.22Å; I93-I111 HydrophobicContact CG2-CD1 3.44Å; I93-I111 VanDerWaalsContact CG2-CD1 3.44Å; I93-I111 HydrophobicContact CG2-CG1 3.9Å; N97-I111 VanDerWaalsContact ND2-CG1 3.31Å; N97-I111 WeakPolarHBondContact ND2-CG1 3.35Å; L99-I111 HydrophobicContact CD1-CD1 4.24Å; F105-I111 HydrophobicContact CD2-CD1 3.6Å; F105-I111 HydrophobicContact CE2-CD1 3.51Å; I111-I113 HydrophobicContact CG2-CD1 4.16Å; I111-I113 HydrophobicContact CG2-CG1 4.15Å
112K77.3Confident65.1Low116 Ų11685.3 Ų85.350%0.50442%0.422SS..EExtended strand (participates in β ladder)trans-95.3112.1176.4-63.5178.2-179.9174.70110.5L69 N97 P114L69-K112 CarbonylContact O-C 3.59Å; L69-K112 WeakPolarHBondContact O-CA 3.27Å; N97-K112 PolarHBondContact ND2-O 3.11Å; N97-K112 WeakPolarHBondContact OD1-CB 3.42Å; N97-K112 PolarHBondContact OD1-N 3Å; K112-P114 WeakPolarHBondContact O-CD 3.49Å
113I79.9Confident64.5Low0 Ų088.7 Ų88.70%044%0.437CS..EExtended strand (participates in β ladder)trans-101.8117.4-175.6-59.7158.8000108.2Y68 L69 R71 I82 Y86 C88 I111 V115Y68-I113 WeakPolarHBondContact CA-O 3.18Å; L69-I113 PolarHBondContact N-O 3.31Å; L69-I113 PolarHBondContact O-N 3.23Å; R71-I113 HydrophobicContact CB-CD1 3.93Å; I82-I113 HydrophobicContact CG2-CD1 3.34Å; I82-I113 HydrophobicContact CG2-CG1 3.87Å; Y86-I113 HydrophobicContact CD2-CD1 3.57Å; Y86-I113 HydrophobicContact CD2-CG2 4.43Å; Y86-I113 HydrophobicContact CE2-CD1 3.57Å; Y86-I113 HydrophobicContact CG-CD1 4.14Å; Y86-I113 HydrophobicContact CG-CG2 4.09Å; C88-I113 HydrophobicContact CB-CG2 4.41Å; C88-I113 WeakPolarHBondContact SG-CG2 3.47Å; I111-I113 HydrophobicContact CG2-CD1 4.16Å; I111-I113 HydrophobicContact CG2-CG1 4.15Å; I113-V115 HydrophobicContact CG2-CG2 4.03Å; I113-V115 PolarHBondContact O-N 3.28Å
114P74.9Confident63.9Low14 Ų1487.2 Ų87.29%0.09144%0.439CS..EExtended strand (participates in β ladder)trans-74.1105.6173.429.5-31.7000109.3I66 Y68 D92 A96 K112I66-P114 HydrophobicContact CG2-CB 3.37Å; Y68-P114 HydrophobicContact CD1-CB 4.38Å; Y68-P114 HydrophobicContact CE1-CB 4.16Å; D92-P114 HydrophobicContact CB-CG 3.81Å; A96-P114 HydrophobicContact CB-CG 3.97Å; K112-P114 WeakPolarHBondContact O-CD 3.49Å
115V73.4Confident63.5Low12 Ų1287.9 Ų87.97%0.07344%0.44CS..EExtended strand (participates in β ladder)trans-100.3129.9175.4-172.10000108.5I67 L69 I113 T122I67-V115 PolarHBondContact N-O 2.81Å; I67-V115 PolarHBondContact O-N 3.06Å; L69-V115 HydrophobicContact CB-CG2 4.17Å; I113-V115 HydrophobicContact CG2-CG2 4.03Å; I113-V115 PolarHBondContact O-N 3.28Å; V115-T122 HydrophobicContact CG1-CG2 3.55Å
116R71.6Confident62.5Low155 Ų15594.8 Ų94.859%0.58548%0.477SS*.EExtended strand (participates in β ladder)trans-74.2127.7173.8-64.2-177.3-176.2156.15.2109.1D65 F118 S119D65-R116 CarbonylContact O-C 3.57Å; D65-R116 VanDerWaalsContact O-CA 3.27Å; D65-R116 WeakPolarHBondContact O-CA 3.27Å; R116-F118 PolarHBondContact O-N 3.05Å; R116-S119 PolarHBondContact O-N 2.8Å
117R58.1Low61.5Low99 Ų9992.8 Ų92.837%0.37448%0.484SS..THydrogen-bonded Turntrans-67.9-7.5-168.7-42.6-168.5-103.6109.8-3.7114.4D64 D65 I67D64-R117 PolarHBondContact O-NE 3.16Å; D64-R117 PolarHBondContact O-NH2 3.42Å; D65-R117 WeakPolarHBondContact O-CG 3.33Å; D65-R117 PolarHBondContact O-N 3.32Å; D65-R117 WeakPolarHBondContact OD1-CB 3.3Å; D65-R117 WeakPolarHBondContact OD1-CG 3.43Å; D65-R117 IonicContact OD1-CZ 3.01Å; D65-R117 PolarHBondContact OD1-N 2.89Å; D65-R117 IonicContact OD1-NE 3.91Å; D65-R117 IonicContact OD1-NH1 2.89Å; D65-R117 PolarHBondContact OD2-N 3.12Å; I67-R117 HydrophobicContact CB-CG 4.28Å; I67-R117 HydrophobicContact CD1-CB 4.04Å; I67-R117 HydrophobicContact CD1-CG 3.36Å; I67-R117 VanDerWaalsContact CG1-CD 3.4Å; I67-R117 HydrophobicContact CG1-CG 3.47Å; I67-R117 VanDerWaalsContact CG1-CG 3.47Å
118F53.4Low60.5Low150 Ų15091.6 Ų91.666%0.65848%0.48SS*.THydrogen-bonded Turntrans-131.728.3-177.8-52.6-64.3000115.1D65 R116D65-F118 VanDerWaalsContact CG-CD2 3.49Å; D65-F118 WeakPolarHBondContact OD1-CD2 3.19Å; D65-F118 WeakPolarHBondContact OD1-CE2 3.47Å; D65-F118 WeakPolarHBondContact OD2-CD2 3.44Å; R116-F118 PolarHBondContact O-N 3.05Å
119S53.7Low59.4Low52 Ų5294.6 Ų94.636%0.36450%0.503SS..SBendtrans-73.3125.1156.7175.20000107.4R116 L121 T122R116-S119 PolarHBondContact O-N 2.8Å; S119-L121 PolarHBondContact O-N 2.63Å; S119-T122 PolarHBondContact O-N 3.07Å; S119-T122 PolarHBondContact O-OG1 2.9Å
120V53.5Low58.3Low139 Ų13990.2 Ų90.284%0.84250%0.503SS*.THydrogen-bonded Turntrans-54.18.7-169.4174.50000116
121L54.2Low56.9Low107 Ų10796.1 Ų96.156%0.5652%0.52SS*.THydrogen-bonded Turntrans-122.61.1-173.4-57.8177.3000115.1S119 E123S119-L121 PolarHBondContact O-N 2.63Å; L121-E123 VanDerWaalsContact C-N 3.27Å; L121-E123 PolarHBondContact O-N 2.87Å
122T53.4Low55.2Low48 Ų48102.4 Ų102.429%0.29456%0.561SS.*G310 helixtrans-79.80.5178.2440000115.2V115 S119 T124V115-T122 HydrophobicContact CG1-CG2 3.55Å; S119-T122 PolarHBondContact O-N 3.07Å; S119-T122 PolarHBondContact O-OG1 2.9Å; T122-T124 PolarHBondContact O-N 2.91Å
123E50.8Low53.2Low192 Ų192103.4 Ų103.490%0.89758%0.576SS**G310 helixtrans-64.2-19.1-179.7-165.9171.1137.800113.3L121L121-E123 VanDerWaalsContact C-N 3.27Å; L121-E123 PolarHBondContact O-N 2.87Å
124T50.6Low51.3Low125 Ų125108.1 Ų108.177%0.76761%0.609SS**G310 helixtrans-110.9-3.6-170.553.80000117.1T122T122-T124 PolarHBondContact O-N 2.91Å
125H52.3Low50.4Low77 Ų77113.7 Ų113.736%0.35665%0.645SS.*SBendtrans-110.6-1.7-173.598.8-88.4000116.8L69L69-H125 WeakPolarHBondContact CD2-NE2 3.27Å
126N45.1Very low48.4Very low148 Ų148119.5 Ų119.579%0.79168%0.681SS**SBendtrans-97.512.8174.5-159.930.4000114.1
127A42.7Very low46.6Very low84 Ų84115.4 Ų115.469%0.69469%0.687SS**SBendtrans-87.7118.916500000108.2
128G46.3Very low45.5Very low59 Ų59117.2 Ų117.261%0.60871%0.709SS**PPolyproline II helixtrans-53.6173.9-176.700000115.4P130G128-P130 VanDerWaalsContact O-CD 3.3Å; G128-P130 WeakPolarHBondContact O-CD 3.25Å
129P44.2Very low44.7Very low128 Ų128120.5 Ų120.583%0.83172%0.717SS**PPolyproline II helixtrans-59.7119.8-165.722.5-32.9000113.2
130P40.8Very low43.7Very low123 Ų123129.8 Ų129.880%0.79974%0.744SS**PPolyproline II helixtrans-78.3122.716229.9-28.5000109.2G128G128-P130 VanDerWaalsContact O-CD 3.3Å; G128-P130 WeakPolarHBondContact O-CD 3.25Å
131K39.1Very low43Very low190 Ų190128.9 Ų128.983%0.82674%0.739SS**PPolyproline II helixtrans-54.4138.9171.4-64.5174.3178.7175.20110.4V133K131-V133 PolarHBondContact O-N 3.38Å
132P43.1Very low42Very low132 Ų132128.1 Ų128.186%0.85775%0.747SS**PPolyproline II helixtrans-76116.8171.829.6-29.6000109.3
133V36.3Very low41.1Very low137 Ų137134 Ų13483%0.8377%0.772SS**  trans-114.3121.3162.8177.40000107.5K131K131-V133 PolarHBondContact O-N 3.38Å
134S39.3Very low40.3Very low100 Ų100132 Ų13270%0.69977%0.772SS**  trans-51.2152.5-174.8-51.30000115.1
135P55.7Low39.4Very low130 Ų130131.3 Ų131.384%0.84477%0.772SS**  trans-91.7109.4168.934-25.3000110.1
136T32Very low39.6Very low135 Ų135133 Ų13383%0.82879%0.79SS**  trans-144.2111.4167.1-61.40000111.6
137G34.3Very low39Very low69 Ų69132.8 Ų132.871%0.71179%0.794SS**  trans67.6134152.400000116.8
138V34.2Very low38.9Very low136 Ų136133 Ų13382%0.82480%0.795SS**  -164.1121.352.5166.50000109.5
139R37.3Very low39.2Very low220 Ų220136 Ų13683%0.8380%0.804SS**  37.6112.4129.7-153.2-179.6-155.5158.24.1117.8
140R32.8Very low39Very low247 Ų247137.6 Ų137.693%0.93281%0.805SS**  -151.1114.4122.4-112.8-176-67.2115.7-4111.8
141V39Very low39.3Very low120 Ų120136.7 Ų136.773%0.72780%0.799SS**  trans-77132.5170.7169.90000108.5
142A32.2Very low38.9Very low90 Ų90133 Ų13374%0.74479%0.793SS**  trans-159.493.1142.300000108.2
143Q34.4Very low38.8Very low172 Ų172135 Ų13580%0.80479%0.791SS**  87.591.3106.2-68.1-85.2-12.300112.2
144V34.7Very low38.6Very low149 Ų149134.1 Ų134.190%0.90379%0.791SS**  trans-94.8125.9160.6-126.40000106.6
145S31.7Very low38.9Very low111 Ų111134.6 Ų134.678%0.77679%0.794SS**  trans-138139.9157.9-1560000108.3
146P57Low38Very low113 Ų113134 Ų13473%0.73479%0.788SS**  trans-93.9159.2-159.937-31.6000111.7
147V31.1Very low38.3Very low144 Ų144134.2 Ų134.287%0.87378%0.784SS**  trans169.2123.3143.51550000109.2
148A42Very low38.5Very low87 Ų87136.7 Ų136.772%0.71979%0.79SS**  trans-83.7163161.500000109.2
149P52.2Low38.7Very low123 Ų123134.2 Ų134.280%0.79978%0.779SS**  cis-139.9177.527.133.1-8.9000116.5
150L39.3Very low39.3Very low161 Ų161129.8 Ų129.884%0.84378%0.781SS**  trans-21.8152.6166.7-118.173.6000116.2
151P47.8Very low40.3Very low105 Ų105121.4 Ų121.468%0.68276%0.76SS**  -153.5177.55643.7-22.3000117.8
152T30.3Very low40.9Very low113 Ų113120.4 Ų120.469%0.69376%0.755SS**  trans83.9109.7145.2-52.20000119.6
153E41.3Very low42.3Very low173 Ų173122.6 Ų122.681%0.80875%0.754SS**  trans51.8115.1135.9-41.4-92.1104.500119
154S31.9Very low44Very low119 Ų119118.9 Ų118.983%0.83275%0.747SS**  161.3134.8109.754.90000111.1
155S46.3Very low45.9Very low110 Ų110116 Ų11677%0.76973%0.729SS**  trans-49.6140.6173.8-42.30000113.2
156T35.6Very low48.1Very low118 Ų118117.5 Ų117.572%0.72472%0.724SS**  -168.8131.8112.39.10000112.1
157D39.4Very low49.4Very low139 Ų139114 Ų11474%0.74371%0.708SS**  trans76124.6142.3-52.7-27.5000121.4
158S38.2Very low52Low120 Ų120113.1 Ų113.184%0.83969%0.693SS**  trans102.390.2153.9-47.50000116.6
159C38.7Very low54.2Low85 Ų85113.7 Ų113.757%0.57468%0.683SS**  167.1106.9113.9-178.30000109.7S161C159-S161 PolarHBondContact O-N 3.01Å; C159-S161 WeakPolarHBondContact SG-CB 3.47Å; C159-S161 PolarHBondContact SG-OG 3.14Å
160S48.8Very low55.7Low126 Ų126113.9 Ų113.988%0.88168%0.677SS**THydrogen-bonded Turntrans-7031.2175.660.60000114.3
161S55.4Low58Low71 Ų71110.5 Ų110.550%0.49766%0.657SS.*THydrogen-bonded Turntrans-115.6-6.5-173.4-50.80000114.6C159C159-S161 PolarHBondContact O-N 3.01Å; C159-S161 WeakPolarHBondContact SG-CB 3.47Å; C159-S161 PolarHBondContact SG-OG 3.14Å
162T51.6Low59.8Low99 Ų99109.2 Ų109.261%0.60764%0.641SS**Hα-helixtrans-82-27.3-179.6570000113.1S164 V165 E166T162-S164 VanDerWaalsContact C-N 3.25Å; T162-S164 PolarHBondContact O-N 3.06Å; T162-V165 PolarHBondContact O-N 3.03Å; T162-E166 PolarHBondContact O-N 3.27Å; T162-E166 VanDerWaalsContact O-N 3.11Å
163D61.1Low62.5Low136 Ų136108.2 Ų108.273%0.72763%0.631SS**Hα-helixtrans-62.2-33.1178.4-168.238.9000112.2G167D163-G167 PolarHBondContact O-N 2.96Å
164S69.3Low64.9Low94 Ų94104.2 Ų104.266%0.65761%0.611SS**Hα-helixtrans-72-36.9177.7-174.70000113T162 F168T162-S164 VanDerWaalsContact C-N 3.25Å; T162-S164 PolarHBondContact O-N 3.06Å; S164-F168 VanDerWaalsContact O-CB 3.27Å; S164-F168 WeakPolarHBondContact O-CB 3.32Å; S164-F168 PolarHBondContact O-N 3.1Å
165V76Confident67.5Low89 Ų89101.6 Ų101.654%0.53959%0.587SS.*Hα-helixtrans-73.7-42.8179.9-179.60000110.4T162 F168 L169T162-V165 PolarHBondContact O-N 3.03Å; V165-F168 PolarHBondContact O-N 3.37Å; V165-L169 HydrophobicContact CG1-CD1 4.32Å; V165-L169 WeakPolarHBondContact O-CG 3.21Å; V165-L169 PolarHBondContact O-N 2.94Å
166E76.3Confident69.4Low143 Ų143101 Ų10167%0.66857%0.574SS**Hα-helixtrans-67.2-41.1178.4-163.6161.7-175.600111.3T162 L169 L170T162-E166 PolarHBondContact O-N 3.27Å; T162-E166 VanDerWaalsContact O-N 3.11Å; E166-L169 PolarHBondContact O-N 3.41Å; E166-L170 WeakPolarHBondContact O-CB 3.33Å; E166-L170 PolarHBondContact O-N 3.49Å
167G84.4Confident71.6Confident38 Ų38100.6 Ų100.639%0.39256%0.564SS.*Hα-helixtrans-63.9-38.117200000113.7D163 E171D163-G167 PolarHBondContact O-N 2.96Å; G167-E171 WeakPolarHBondContact O-CB 3.36Å; G167-E171 PolarHBondContact O-N 3.19Å
168F86.4Confident73.4Confident126 Ų12699.6 Ų99.655%0.55356%0.555SS**Hα-helixtrans-66.1-45.8176.5178.4-98.2000112.1S164 V165 L170 E171 K172S164-F168 VanDerWaalsContact O-CB 3.27Å; S164-F168 WeakPolarHBondContact O-CB 3.32Å; S164-F168 PolarHBondContact O-N 3.1Å; V165-F168 PolarHBondContact O-N 3.37Å; F168-L170 VanDerWaalsContact C-N 3.32Å; F168-L170 PolarHBondContact O-N 2.9Å; F168-E171 PolarHBondContact O-N 3.37Å; F168-K172 HydrophobicContact CD1-CG 4.03Å; F168-K172 HydrophobicContact CD2-CG 4.49Å; F168-K172 HydrophobicContact CE1-CD 4.25Å; F168-K172 HydrophobicContact CE1-CG 3.62Å; F168-K172 HydrophobicContact CE2-CD 4.12Å; F168-K172 HydrophobicContact CE2-CG 4.13Å; F168-K172 HydrophobicContact CG-CG 4.46Å; F168-K172 HydrophobicContact CZ-CD 3.79Å; F168-K172 HydrophobicContact CZ-CG 3.68Å; F168-K172 WeakPolarHBondContact O-CB 3.48Å; F168-K172 VanDerWaalsContact O-CG 3.3Å; F168-K172 WeakPolarHBondContact O-CG 3.41Å; F168-K172 PolarHBondContact O-N 3.4Å
169L89Confident75.4Confident99 Ų9999.2 Ų99.252%0.51854%0.543SS..Hα-helixtrans-62-42.1178.1-68.6174.7000111.1V165 E166 K172 D173V165-L169 HydrophobicContact CG1-CD1 4.32Å; V165-L169 WeakPolarHBondContact O-CG 3.21Å; V165-L169 PolarHBondContact O-N 2.94Å; E166-L169 PolarHBondContact O-N 3.41Å; L169-K172 PolarHBondContact O-N 3.35Å; L169-D173 WeakPolarHBondContact O-CB 3.3Å; L169-D173 PolarHBondContact O-N 2.97Å
170L82.5Confident77.3Confident128 Ų128100 Ų10067%0.6755%0.545SS*.Hα-helixtrans-66.5-38.4177.9-165.568.6000112.7E166 F168 D173 K174E166-L170 WeakPolarHBondContact O-CB 3.33Å; E166-L170 PolarHBondContact O-N 3.49Å; F168-L170 VanDerWaalsContact C-N 3.32Å; F168-L170 PolarHBondContact O-N 2.9Å; L170-D173 PolarHBondContact O-N 2.91Å; L170-K174 PolarHBondContact O-N 2.98Å
171E86.9Confident78.6Confident90 Ų90100.9 Ų100.942%0.42153%0.533SS..Hα-helixtrans-68.1-39174.5-171.965.7-154.100111.4G167 F168 K174 D175G167-E171 WeakPolarHBondContact O-CB 3.36Å; G167-E171 PolarHBondContact O-N 3.19Å; F168-E171 PolarHBondContact O-N 3.37Å; E171-K174 WeakPolarHBondContact O-CB 3.27Å; E171-K174 PolarHBondContact O-N 3.44Å; E171-K174 WeakPolarHBondContact OE1-CE 3.47Å; E171-K174 IonicContact OE1-NZ 2.68Å; E171-K174 PolarHBondContact OE1-NZ 2.97Å; E171-K174 IonicContact OE2-NZ 2.92Å; E171-K174 PolarHBondContact OE2-NZ 2.91Å; E171-D175 PolarHBondContact O-N 3.35Å
172K85.5Confident79.1Confident78 Ų78101.1 Ų101.134%0.33954%0.535SS..Hα-helixtrans-63.8-43.2174-71.3-55.987.5-167.40112.1F168 L169 K174 D175 I176F168-K172 HydrophobicContact CD1-CG 4.03Å; F168-K172 HydrophobicContact CD2-CG 4.49Å; F168-K172 HydrophobicContact CE1-CD 4.25Å; F168-K172 HydrophobicContact CE1-CG 3.62Å; F168-K172 HydrophobicContact CE2-CD 4.12Å; F168-K172 HydrophobicContact CE2-CG 4.13Å; F168-K172 HydrophobicContact CG-CG 4.46Å; F168-K172 HydrophobicContact CZ-CD 3.79Å; F168-K172 HydrophobicContact CZ-CG 3.68Å; F168-K172 WeakPolarHBondContact O-CB 3.48Å; F168-K172 VanDerWaalsContact O-CG 3.3Å; F168-K172 WeakPolarHBondContact O-CG 3.41Å; F168-K172 PolarHBondContact O-N 3.4Å; L169-K172 PolarHBondContact O-N 3.35Å; K172-K174 VanDerWaalsContact C-N 3.3Å; K172-K174 PolarHBondContact O-N 3.43Å; K172-D175 WeakPolarHBondContact CE-OD2 3.34Å; K172-D175 IonicContact NZ-OD2 3.59Å; K172-D175 PolarHBondContact NZ-OD2 2.93Å; K172-D175 WeakPolarHBondContact O-CB 3.42Å; K172-D175 PolarHBondContact O-N 3.14Å; K172-I176 VanDerWaalsContact O-CG1 3.3Å; K172-I176 WeakPolarHBondContact O-CG1 3.47Å; K172-I176 PolarHBondContact O-N 3.15Å
173D87.7Confident80Confident91 Ų91100 Ų10049%0.48753%0.528SS..Hα-helixtrans-63.4-38.3177.1-73.4-19.8000111.2L169 L170 D175 I176 E177L169-D173 WeakPolarHBondContact O-CB 3.3Å; L169-D173 PolarHBondContact O-N 2.97Å; L170-D173 PolarHBondContact O-N 2.91Å; D173-D175 PolarHBondContact O-N 2.91Å; D173-I176 PolarHBondContact O-N 3.12Å; D173-E177 PolarHBondContact O-N 2.93Å
174K91.8Very high80.1Confident90 Ų9096.1 Ų96.139%0.39152%0.52SS..Hα-helixtrans-62.3-40.4172.9-164.6-170.779.5-160.20112.7L170 E171 K172 E177 Q178L170-K174 PolarHBondContact O-N 2.98Å; E171-K174 WeakPolarHBondContact O-CB 3.27Å; E171-K174 PolarHBondContact O-N 3.44Å; E171-K174 WeakPolarHBondContact OE1-CE 3.47Å; E171-K174 IonicContact OE1-NZ 2.68Å; E171-K174 PolarHBondContact OE1-NZ 2.97Å; E171-K174 IonicContact OE2-NZ 2.92Å; E171-K174 PolarHBondContact OE2-NZ 2.91Å; K172-K174 VanDerWaalsContact C-N 3.3Å; K172-K174 PolarHBondContact O-N 3.43Å; K174-E177 PolarHBondContact O-N 2.89Å; K174-Q178 PolarHBondContact O-N 3.35Å; K174-Q178 VanDerWaalsContact O-N 3.07Å
175D86.5Confident79.7Confident63 Ų6395.5 Ų95.534%0.33751%0.514SS..Hα-helixtrans-65.1-40.5175.7-73.4-15.3000111.6E171 K172 D173 E177 Q178 L179E171-D175 PolarHBondContact O-N 3.35Å; K172-D175 WeakPolarHBondContact CE-OD2 3.34Å; K172-D175 IonicContact NZ-OD2 3.59Å; K172-D175 PolarHBondContact NZ-OD2 2.93Å; K172-D175 WeakPolarHBondContact O-CB 3.42Å; K172-D175 PolarHBondContact O-N 3.14Å; D173-D175 PolarHBondContact O-N 2.91Å; D175-E177 VanDerWaalsContact C-N 3.32Å; D175-E177 PolarHBondContact O-N 3.45Å; D175-Q178 PolarHBondContact O-N 2.66Å; D175-L179 PolarHBondContact O-N 3.46Å
176I86.6Confident78.8Confident97 Ų9794.5 Ų94.550%0.49751%0.51SS..Hα-helixtrans-61.8-42.6176.1-67.1165.6000110.1K172 D173 Q178 L179 V180K172-I176 VanDerWaalsContact O-CG1 3.3Å; K172-I176 WeakPolarHBondContact O-CG1 3.47Å; K172-I176 PolarHBondContact O-N 3.15Å; D173-I176 PolarHBondContact O-N 3.12Å; I176-Q178 PolarHBondContact O-N 3.2Å; I176-L179 WeakPolarHBondContact O-CB 3.17Å; I176-L179 PolarHBondContact O-N 2.63Å; I176-V180 WeakPolarHBondContact O-CG2 3.31Å; I176-V180 PolarHBondContact O-N 2.98Å
177E82Confident77.9Confident110 Ų11097.3 Ų97.351%0.51452%0.515SS..Hα-helixtrans-63.9-40175.8-73.9-168.7-170.400113.2D173 K174 D175 L179 V180 K181D173-E177 PolarHBondContact O-N 2.93Å; K174-E177 PolarHBondContact O-N 2.89Å; D175-E177 VanDerWaalsContact C-N 3.32Å; D175-E177 PolarHBondContact O-N 3.45Å; E177-L179 VanDerWaalsContact C-N 3.32Å; E177-V180 PolarHBondContact O-N 3.43Å; E177-K181 WeakPolarHBondContact O-CB 2.98Å; E177-K181 VanDerWaalsContact O-CG 3.29Å; E177-K181 WeakPolarHBondContact O-CG 3.36Å; E177-K181 PolarHBondContact O-N 3.24Å; E177-K181 IonicContact OE2-NZ 3.28Å; E177-K181 PolarHBondContact OE2-NZ 3.27Å
178Q76.8Confident76.7Confident118 Ų11898.7 Ų98.755%0.55152%0.519SS*.Hα-helixtrans-65.8-35.5176.1-73.6-165-1.300112.1K174 D175 I176 S182K174-Q178 PolarHBondContact O-N 3.35Å; K174-Q178 VanDerWaalsContact O-N 3.07Å; D175-Q178 PolarHBondContact O-N 2.66Å; I176-Q178 PolarHBondContact O-N 3.2Å; Q178-S182 WeakPolarHBondContact O-CB 3.3Å; Q178-S182 PolarHBondContact O-N 3.43Å; Q178-S182 PolarHBondContact O-OG 3.12Å
179L79.9Confident75.5Confident113 Ų11395.4 Ų95.459%0.59251%0.512SS*.Hα-helixtrans-64.2-44174.1-171.473.8000111.5D175 I176 E177 S182 T183D175-L179 PolarHBondContact O-N 3.46Å; I176-L179 WeakPolarHBondContact O-CB 3.17Å; I176-L179 PolarHBondContact O-N 2.63Å; E177-L179 VanDerWaalsContact C-N 3.32Å; L179-S182 WeakPolarHBondContact CA-OG 3.4Å; L179-S182 PolarHBondContact O-N 3.46Å; L179-S182 PolarHBondContact O-OG 3.01Å; L179-S182 VanDerWaalsContact O-OG 3.04Å; L179-T183 VanDerWaalsContact O-CB 3.24Å; L179-T183 WeakPolarHBondContact O-CB 3.48Å; L179-T183 PolarHBondContact O-N 3.28Å; L179-T183 PolarHBondContact O-OG1 3.07Å
180V78.8Confident74.4Confident100 Ų10096 Ų9661%0.60651%0.514SS*.Hα-helixtrans-67-42.3178.8174.30000111I176 E177 S182 T183 G184I176-V180 WeakPolarHBondContact O-CG2 3.31Å; I176-V180 PolarHBondContact O-N 2.98Å; E177-V180 PolarHBondContact O-N 3.43Å; V180-S182 PolarHBondContact O-N 2.83Å; V180-T183 PolarHBondContact O-N 3.39Å; V180-G184 PolarHBondContact O-N 2.9Å
181K77.1Confident73.7Confident146 Ų14692.9 Ų92.964%0.63550%0.504SS*.Hα-helixtrans-62.4-40176.3-74.5167.4-178.5162.10112.2E177 P185E177-K181 WeakPolarHBondContact O-CB 2.98Å; E177-K181 VanDerWaalsContact O-CG 3.29Å; E177-K181 WeakPolarHBondContact O-CG 3.36Å; E177-K181 PolarHBondContact O-N 3.24Å; E177-K181 IonicContact OE2-NZ 3.28Å; E177-K181 PolarHBondContact OE2-NZ 3.27Å; K181-P185 WeakPolarHBondContact O-CD 3.5Å
182S65.1Low72.9Confident76 Ų7695.6 Ų95.653%0.53152%0.516SS..Hα-helixtrans-78.4-23.8178.2560000113.9Q178 L179 V180 P185Q178-S182 WeakPolarHBondContact O-CB 3.3Å; Q178-S182 PolarHBondContact O-N 3.43Å; Q178-S182 PolarHBondContact O-OG 3.12Å; L179-S182 WeakPolarHBondContact CA-OG 3.4Å; L179-S182 PolarHBondContact O-N 3.46Å; L179-S182 PolarHBondContact O-OG 3.01Å; L179-S182 VanDerWaalsContact O-OG 3.04Å; V180-S182 PolarHBondContact O-N 2.83Å; S182-P185 WeakPolarHBondContact O-CD 3.44Å
183T70.2Confident71.8Confident76 Ų7695.6 Ų95.647%0.46652%0.523SS..Hα-helixtrans-84.4-21.4176.9-540000112.8L179 V180 S186L179-T183 VanDerWaalsContact O-CB 3.24Å; L179-T183 WeakPolarHBondContact O-CB 3.48Å; L179-T183 PolarHBondContact O-N 3.28Å; L179-T183 PolarHBondContact O-OG1 3.07Å; V180-T183 PolarHBondContact O-N 3.39Å; T183-S186 PolarHBondContact O-N 3.29Å
184G63.5Low70.8Confident54 Ų5495.1 Ų95.156%0.55752%0.523SS*.THydrogen-bonded Turntrans-54.9-41.2178.700000116.9V180V180-G184 PolarHBondContact O-N 2.9Å
185P60.2Low69.4Low80 Ų8094.2 Ų94.252%0.51953%0.528SS..THydrogen-bonded Turntrans-91.7-9.4-17932-33.3000115K181 S182 R187 S188K181-P185 WeakPolarHBondContact O-CD 3.5Å; S182-P185 WeakPolarHBondContact O-CD 3.44Å; P185-R187 VanDerWaalsContact C-N 3.29Å; P185-R187 PolarHBondContact O-N 3Å; P185-S188 PolarHBondContact O-N 2.99Å; P185-S188 PolarHBondContact O-OG 2.99Å
186S57.3Low68Low68 Ų6894.6 Ų94.648%0.47654%0.536SS..Hα-helixtrans-76.5-18.1179.8-160.80000112.7T183 S189T183-S186 PolarHBondContact O-N 3.29Å; S186-S189 PolarHBondContact O-OG 3.04Å; S186-S189 VanDerWaalsContact O-OG 3.13Å
187R56.7Low66.7Low202 Ų20295.4 Ų95.476%0.76254%0.54SS*.Hα-helixtrans-78-29174.3-66.3-177.571.41520.4112.9P185 S191P185-R187 VanDerWaalsContact C-N 3.29Å; P185-R187 PolarHBondContact O-N 3Å; R187-S191 WeakPolarHBondContact O-CB 3.44Å; R187-S191 PolarHBondContact O-N 3Å; R187-S191 VanDerWaalsContact O-N 3.09Å
188S60.3Low65.6Low68 Ų6894.5 Ų94.548%0.47654%0.543SS..Hα-helixtrans-74-41.2179.355.50000111.8P185 L190 S191 E192P185-S188 PolarHBondContact O-N 2.99Å; P185-S188 PolarHBondContact O-OG 2.99Å; S188-L190 VanDerWaalsContact C-N 3.34Å; S188-L190 PolarHBondContact O-N 3.32Å; S188-S191 WeakPolarHBondContact CA-OG 3.33Å; S188-S191 PolarHBondContact O-N 3.37Å; S188-S191 VanDerWaalsContact O-N 3.16Å; S188-S191 PolarHBondContact O-OG 3.47Å; S188-E192 PolarHBondContact O-N 2.71Å
189S60.8Low64.3Low57 Ų5796.2 Ų96.240%0.39955%0.554SS.*Hα-helixtrans-61.4-40.717663.40000112.3S186 E192 V193S186-S189 PolarHBondContact O-OG 3.04Å; S186-S189 VanDerWaalsContact O-OG 3.13Å; S189-E192 PolarHBondContact O-N 2.91Å; S189-V193 VanDerWaalsContact O-CG2 3.27Å; S189-V193 WeakPolarHBondContact O-CG2 3.13Å; S189-V193 PolarHBondContact O-N 3.48Å; S189-V193 VanDerWaalsContact O-N 3.12Å
190L66.3Low62.8Low110 Ų11099 Ų9958%0.57656%0.564SS**Hα-helixtrans-68.1-38.2174.3-71.9175.4000112.4S188 E192 V193 V194S188-L190 VanDerWaalsContact C-N 3.34Å; S188-L190 PolarHBondContact O-N 3.32Å; L190-E192 VanDerWaalsContact C-N 3.31Å; L190-E192 PolarHBondContact O-N 3.11Å; L190-V193 PolarHBondContact O-N 3.3Å; L190-V194 WeakPolarHBondContact O-CB 2.98Å; L190-V194 WeakPolarHBondContact O-CG2 3.36Å; L190-V194 PolarHBondContact O-N 3.26Å
191S68.4Low61.2Low64 Ų64102 Ų10245%0.44857%0.572SS.*Hα-helixtrans-65.6-34.7177.271.70000112.7R187 S188 S195R187-S191 WeakPolarHBondContact O-CB 3.44Å; R187-S191 PolarHBondContact O-N 3Å; R187-S191 VanDerWaalsContact O-N 3.09Å; S188-S191 WeakPolarHBondContact CA-OG 3.33Å; S188-S191 PolarHBondContact O-N 3.37Å; S188-S191 VanDerWaalsContact O-N 3.16Å; S188-S191 PolarHBondContact O-OG 3.47Å; S191-S195 VanDerWaalsContact O-CB 3.25Å; S191-S195 WeakPolarHBondContact O-CB 3.4Å; S191-S195 PolarHBondContact O-N 3.37Å; S191-S195 PolarHBondContact O-OG 2.78Å
192E68.7Low59.7Low146 Ų146100.3 Ų100.368%0.68258%0.576SS**Hα-helixtrans-69.5-44.3176.6-172.3176.9-179.300110.9S188 S189 L190 S195 S196S188-E192 PolarHBondContact O-N 2.71Å; S189-E192 PolarHBondContact O-N 2.91Å; L190-E192 VanDerWaalsContact C-N 3.31Å; L190-E192 PolarHBondContact O-N 3.11Å; E192-S195 PolarHBondContact O-N 3.21Å; E192-S196 PolarHBondContact O-N 2.91Å
193V64Low58.5Low79 Ų79104.5 Ų104.548%0.47959%0.592SS.*Hα-helixtrans-65.6-42.6176176.70000111.2S189 L190 S195 S196 L197S189-V193 VanDerWaalsContact O-CG2 3.27Å; S189-V193 WeakPolarHBondContact O-CG2 3.13Å; S189-V193 PolarHBondContact O-N 3.48Å; S189-V193 VanDerWaalsContact O-N 3.12Å; L190-V193 PolarHBondContact O-N 3.3Å; V193-S195 VanDerWaalsContact C-N 3.32Å; V193-S195 PolarHBondContact O-N 3.19Å; V193-S196 PolarHBondContact O-N 3.47Å; V193-S196 PolarHBondContact O-OG 2.85Å; V193-L197 HydrophobicContact CG1-CD1 3.95Å; V193-L197 WeakPolarHBondContact O-CD1 3.34Å; V193-L197 WeakPolarHBondContact O-CG 3.31Å; V193-L197 PolarHBondContact O-N 3.47Å; V193-L197 VanDerWaalsContact O-N 3.07Å
194V65.1Low56.9Low81 Ų81108.6 Ų108.649%0.49161%0.61SS.*Hα-helixtrans-63.9-38.2174.6171.80000111.1L190 S196 L197 T198L190-V194 WeakPolarHBondContact O-CB 2.98Å; L190-V194 WeakPolarHBondContact O-CG2 3.36Å; L190-V194 PolarHBondContact O-N 3.26Å; V194-S196 VanDerWaalsContact C-N 3.34Å; V194-S196 PolarHBondContact O-N 3.03Å; V194-L197 PolarHBondContact O-N 3.38Å; V194-T198 HydrophobicContact CG1-CG2 4.24Å; V194-T198 WeakPolarHBondContact O-CG2 3.34Å; V194-T198 PolarHBondContact O-N 2.88Å; V194-T198 PolarHBondContact O-OG1 3.34Å
195S62.6Low55.4Low70 Ų70109.1 Ų109.149%0.4962%0.615SS.*Hα-helixtrans-68.2-32.7177-59.90000112.7S191 E192 V193 T198 L199S191-S195 VanDerWaalsContact O-CB 3.25Å; S191-S195 WeakPolarHBondContact O-CB 3.4Å; S191-S195 PolarHBondContact O-N 3.37Å; S191-S195 PolarHBondContact O-OG 2.78Å; E192-S195 PolarHBondContact O-N 3.21Å; V193-S195 VanDerWaalsContact C-N 3.32Å; V193-S195 PolarHBondContact O-N 3.19Å; S195-T198 WeakPolarHBondContact CA-OG1 3.37Å; S195-T198 PolarHBondContact O-OG1 2.73Å; S195-L199 WeakPolarHBondContact O-CB 3.45Å; S195-L199 PolarHBondContact O-N 3.23Å; S195-L199 VanDerWaalsContact O-N 3.13Å
196S57.2Low54.7Low72 Ų72114.4 Ų114.450%0.50363%0.633SS.*Hα-helixtrans-69.8-3517371.70000112.5E192 V193 V194E192-S196 PolarHBondContact O-N 2.91Å; V193-S196 PolarHBondContact O-N 3.47Å; V193-S196 PolarHBondContact O-OG 2.85Å; V194-S196 VanDerWaalsContact C-N 3.34Å; V194-S196 PolarHBondContact O-N 3.03Å
197L60.2Low53.8Low113 Ų113115.5 Ų115.559%0.59265%0.647SS**Hα-helixtrans-75.1-34.7177.1-74.7156.8000112.2V193 V194V193-L197 HydrophobicContact CG1-CD1 3.95Å; V193-L197 WeakPolarHBondContact O-CD1 3.34Å; V193-L197 WeakPolarHBondContact O-CG 3.31Å; V193-L197 PolarHBondContact O-N 3.47Å; V193-L197 VanDerWaalsContact O-N 3.07Å; V194-L197 PolarHBondContact O-N 3.38Å
198T58.9Low52.8Low92 Ų92113.2 Ų113.256%0.56464%0.644SS**Hα-helixtrans-78.9-25.6178.4530000113.3V194 S195 Q200V194-T198 HydrophobicContact CG1-CG2 4.24Å; V194-T198 WeakPolarHBondContact O-CG2 3.34Å; V194-T198 PolarHBondContact O-N 2.88Å; V194-T198 PolarHBondContact O-OG1 3.34Å; S195-T198 WeakPolarHBondContact CA-OG1 3.37Å; S195-T198 PolarHBondContact O-OG1 2.73Å; T198-Q200 PolarHBondContact O-N 3.5Å
199L49.3Very low52Low153 Ų153120 Ų12080%0.80166%0.661SS**Hα-helixtrans-69-23.1175-165.573.5000112.5S195 Q201S195-L199 WeakPolarHBondContact O-CB 3.45Å; S195-L199 PolarHBondContact O-N 3.23Å; S195-L199 VanDerWaalsContact O-N 3.13Å; L199-Q201 VanDerWaalsContact C-N 3.32Å; L199-Q201 PolarHBondContact O-N 2.92Å
200Q48.3Very low50.7Low171 Ų171125.3 Ų125.380%0.79968%0.677SS**THydrogen-bonded Turntrans-86.53.6-176.1-135.8-174.4-26.300114.5T198 P202T198-Q200 PolarHBondContact O-N 3.5Å; Q200-P202 VanDerWaalsContact C-CD 3.45Å; Q200-P202 WeakPolarHBondContact O-CD 3.48Å
201Q44.7Very low49.2Very low164 Ų164125.9 Ų125.977%0.76669%0.687SS**  trans-119.374.7179.9-158.6170.315.400112.4L199L199-Q201 VanDerWaalsContact C-N 3.32Å; L199-Q201 PolarHBondContact O-N 2.92Å
202P46.2Very low47.8Very low110 Ų110127 Ų12771%0.71470%0.7SS**  trans-85.5139.2161.733.7-26.7000109.7Q200Q200-P202 VanDerWaalsContact C-CD 3.45Å; Q200-P202 WeakPolarHBondContact O-CD 3.48Å
203L39.9Very low46.7Very low165 Ų165127.6 Ų127.686%0.86470%0.703SS**  trans76.3103.1-179.7-72.9179.4000116.6
204L36.3Very low45.8Very low161 Ų161135.3 Ų135.384%0.84372%0.723SS**  172.7114.788.6-166.3158.1000109.5
205G32.4Very low44.5Very low66 Ų66139.5 Ų139.568%0.6874%0.735SS**  trans60.5114.1146.400000119.9A207G205-A207 PolarHBondContact O-N 3.44Å
206E45.3Very low44.2Very low190 Ų190142.1 Ų142.189%0.88874%0.744SS**  trans-49.4127.5148.7-80.6-167.112500111.1
207A38.8Very low44.1Very low92 Ų92144.6 Ų144.676%0.7676%0.758SS**  trans-159.8119.8144.700000109.9G205G205-A207 PolarHBondContact O-N 3.44Å
208E34.3Very low43.7Very low153 Ų153149.3 Ų149.372%0.71577%0.769SS**  trans53.1108.1152-91.3-170.5107.400120.2K210E208-K210 VanDerWaalsContact C-N 3.27Å; E208-K210 PolarHBondContact O-N 3.35Å
209Y44.5Very low43.3Very low211 Ų211155.4 Ų155.483%0.82778%0.784SS**  trans-56.182.3149.77.5-93.7000111.1
210K33.4Very low43.2Very low168 Ų168150.8 Ų150.873%0.7377%0.773SS**  trans-84.6128.1152.5-89.5-161.1173.6-176.30108.8E208 A212E208-K210 VanDerWaalsContact C-N 3.27Å; E208-K210 PolarHBondContact O-N 3.35Å; K210-A212 PolarHBondContact O-N 3.42Å
211P35.8Very low43.6Very low122 Ų122147.6 Ų147.679%0.79278%0.775SS**  trans-65.1109.4167.327.6-29.4000106.7Q213P211-Q213 PolarHBondContact O-N 3.28Å
212A38Very low43.9Very low87 Ų87146.1 Ų146.172%0.71977%0.773SS**  trans-49.7114.617200000107.8K210 R214K210-A212 PolarHBondContact O-N 3.42Å; A212-R214 PolarHBondContact O-N 2.66Å
213Q46Very low44.6Very low160 Ų160151.7 Ų151.775%0.74878%0.78SS**  trans-50.2118.2170.5-77.5-144.7-12.900107.7P211 K215P211-Q213 PolarHBondContact O-N 3.28Å; Q213-K215 VanDerWaalsContact C-N 3.28Å; Q213-K215 WeakPolarHBondContact O-CD 3.46Å; Q213-K215 PolarHBondContact O-N 3.05Å
214R44Very low45.6Very low240 Ų240147.1 Ų147.191%0.90677%0.773SS**  trans-60.995.9170.4-77.3-173.6171.2167.1-1.1106.7A212 D216A212-R214 PolarHBondContact O-N 2.66Å; R214-D216 PolarHBondContact O-N 2.7Å
215K38.3Very low47.3Very low170 Ų170143.5 Ų143.574%0.73975%0.752SS**  trans-64.8114.6161.6-74.398-169.1175.50105.3Q213 P217Q213-K215 VanDerWaalsContact C-N 3.28Å; Q213-K215 WeakPolarHBondContact O-CD 3.46Å; Q213-K215 PolarHBondContact O-N 3.05Å; K215-P217 WeakPolarHBondContact O-CD 3.2Å
216D55.8Low49.6Very low124 Ų124147.9 Ų147.966%0.66375%0.748SS**  trans-49.7128.1174.4-81.8-41.7000109.1R214 Y218 Y219R214-D216 PolarHBondContact O-N 2.7Å; D216-Y218 PolarHBondContact O-N 2.92Å; D216-Y219 PolarHBondContact O-N 2.79Å
217P55.4Low51.3Low124 Ų124148.6 Ų148.681%0.80574%0.743SS**THydrogen-bonded Turntrans-6322.4176.5-26.136.1000116K215K215-P217 WeakPolarHBondContact O-CD 3.2Å
218Y52.4Low53.5Low212 Ų212153.3 Ų153.383%0.83174%0.741SS**THydrogen-bonded Turntrans-134.617.1-178.6-90.4-82.5000113.5D216D216-Y218 PolarHBondContact O-N 2.92Å
219Y50.5Low56.1Low221 Ų221150.7 Ų150.787%0.86773%0.73SS**  trans-108.971-178.3-162.6-97.5000112.2D216D216-Y219 PolarHBondContact O-N 2.79Å
220G47.5Very low58.3Low55 Ų55142.6 Ų142.657%0.56771%0.707SS**SBendtrans-164120.6175.200000112.7D222G220-D222 VanDerWaalsContact C-N 3.25Å; G220-D222 PolarHBondContact O-N 2.96Å
221A56.8Low61.1Low104 Ų104137.7 Ų137.786%0.8669%0.691SS**SBendtrans65.7-38169.700000118.8
222D50Low63.8Low133 Ų133134.3 Ų134.371%0.71167%0.673SS**SBendtrans-102117.7178.1-55.2-36000107.8G220 G224G220-D222 VanDerWaalsContact C-N 3.25Å; G220-D222 PolarHBondContact O-N 2.96Å; D222-G224 PolarHBondContact O-N 2.78Å
223W61.2Low66.3Low228 Ų228133.9 Ų133.986%0.86466%0.658SS**  trans-60.347.4-174.7-66-5000116M225W223-M225 HydrophobicContact CB-CE 3.85Å; W223-M225 HydrophobicContact CD2-CE 4.27Å; W223-M225 HydrophobicContact CE3-CE 3.69Å; W223-M225 HydrophobicContact CG-CE 4.38Å; W223-M225 PolarHBondContact O-N 2.78Å
224G61.1Low68.6Low69 Ų69133 Ų13371%0.71166%0.655SS**SBendtrans59.312.1-177.700000114.1D222 R226D222-G224 PolarHBondContact O-N 2.78Å; G224-R226 PolarHBondContact O-N 3.18Å
225M71Confident71.1Confident84 Ų84126.9 Ų126.941%0.41464%0.64SS.*  trans-77114.1-171.9-89.7-173.4-90.300110.4W223 W227 M229 I233W223-M225 HydrophobicContact CB-CE 3.85Å; W223-M225 HydrophobicContact CD2-CE 4.27Å; W223-M225 HydrophobicContact CE3-CE 3.69Å; W223-M225 HydrophobicContact CG-CE 4.38Å; W223-M225 PolarHBondContact O-N 2.78Å; M225-W227 PolarHBondContact O-N 3.48Å; M225-M229 HydrophobicContact CB-CB 4.3Å; M225-M229 HydrophobicContact CG-CB 4.04Å; M225-M229 HydrophobicContact SD-CB 4.4Å; M225-I233 HydrophobicContact SD-CD1 3.44Å; M225-I233 WeakPolarHBondContact SD-CD1 3.22Å
226R81.9Confident73.8Confident158 Ų158125.2 Ų125.260%0.59663%0.633SS**  trans-52.4138.8163.5-63167.866.4170.61.1107.7G224 W228 M229 A230G224-R226 PolarHBondContact O-N 3.18Å; R226-W228 PolarHBondContact O-N 3.44Å; R226-M229 HydrophobicContact CB-CG 4.38Å; R226-M229 WeakPolarHBondContact O-CA 3.44Å; R226-M229 VanDerWaalsContact O-CB 3.31Å; R226-M229 WeakPolarHBondContact O-CB 3.48Å; R226-M229 PolarHBondContact O-N 3.37Å; R226-A230 PolarHBondContact O-N 2.88Å
227W79.9Confident75.7Confident205 Ų205122.9 Ų122.978%0.77762%0.623SS**Hα-helixtrans-51.9-32179.4-176.161.4000113.2M225 M229 A230 V231M225-W227 PolarHBondContact O-N 3.48Å; W227-M229 VanDerWaalsContact C-N 3.35Å; W227-M229 PolarHBondContact O-N 2.92Å; W227-A230 WeakPolarHBondContact O-CB 3.44Å; W227-A230 PolarHBondContact O-N 3.25Å; W227-V231 HydrophobicContact CD2-CG2 4.44Å; W227-V231 WeakPolarHBondContact O-CG2 3.31Å; W227-V231 PolarHBondContact O-N 2.9Å
228W85.9Confident77.6Confident192 Ų192119.3 Ų119.373%0.72761%0.609SS**Hα-helixtrans-62.5-31.6171.5-8986.3000115R226 V231 A232R226-W228 PolarHBondContact O-N 3.44Å; W228-V231 PolarHBondContact O-N 2.99Å; W228-A232 WeakPolarHBondContact O-CB 3.34Å; W228-A232 PolarHBondContact O-N 3.03Å
229M89.6Confident79.6Confident98 Ų98113.7 Ų113.748%0.48359%0.592SS.*Hα-helixtrans-68.5-40.4172.6-70.8-58-61.200111.3M225 R226 W227 V231 A232 I233M225-M229 HydrophobicContact CB-CB 4.3Å; M225-M229 HydrophobicContact CG-CB 4.04Å; M225-M229 HydrophobicContact SD-CB 4.4Å; R226-M229 HydrophobicContact CB-CG 4.38Å; R226-M229 WeakPolarHBondContact O-CA 3.44Å; R226-M229 VanDerWaalsContact O-CB 3.31Å; R226-M229 WeakPolarHBondContact O-CB 3.48Å; R226-M229 PolarHBondContact O-N 3.37Å; W227-M229 VanDerWaalsContact C-N 3.35Å; W227-M229 PolarHBondContact O-N 2.92Å; M229-V231 VanDerWaalsContact C-N 3.31Å; M229-V231 PolarHBondContact O-N 2.88Å; M229-A232 PolarHBondContact O-N 3.23Å; M229-I233 WeakPolarHBondContact O-CB 3.3Å; M229-I233 WeakPolarHBondContact O-CD1 3.41Å; M229-I233 WeakPolarHBondContact O-CG1 3.39Å; M229-I233 PolarHBondContact O-N 3.45Å
230A89.1Confident81.7Confident41 Ų41106.5 Ų106.534%0.33957%0.568SS.*Hα-helixtrans-62-42.2173.600000111.1R226 W227 I233 M234R226-A230 PolarHBondContact O-N 2.88Å; W227-A230 WeakPolarHBondContact O-CB 3.44Å; W227-A230 PolarHBondContact O-N 3.25Å; A230-I233 PolarHBondContact O-N 3.43Å; A230-M234 WeakPolarHBondContact O-CB 3.3Å; A230-M234 VanDerWaalsContact O-CG 3.3Å; A230-M234 WeakPolarHBondContact O-CG 3.46Å; A230-M234 PolarHBondContact O-N 2.74Å
231V92.2Very high83.9Confident65 Ų65107.9 Ų107.939%0.39457%0.566SS.*Hα-helixtrans-61.9-43.2174174.90000111.6W227 W228 M229 M234 L235W227-V231 HydrophobicContact CD2-CG2 4.44Å; W227-V231 WeakPolarHBondContact O-CG2 3.31Å; W227-V231 PolarHBondContact O-N 2.9Å; W228-V231 PolarHBondContact O-N 2.99Å; M229-V231 VanDerWaalsContact C-N 3.31Å; M229-V231 PolarHBondContact O-N 2.88Å; V231-M234 PolarHBondContact O-N 3.22Å; V231-L235 WeakPolarHBondContact O-CB 3.4Å; V231-L235 PolarHBondContact O-N 3.42Å
232A92.2Very high85.7Confident50 Ų50105.8 Ų105.841%0.41354%0.543SS..Hα-helixtrans-64.4-40.9177.300000112.5W228 M229 L235 F236W228-A232 WeakPolarHBondContact O-CB 3.34Å; W228-A232 PolarHBondContact O-N 3.03Å; M229-A232 PolarHBondContact O-N 3.23Å; A232-L235 PolarHBondContact O-N 3.37Å; A232-F236 WeakPolarHBondContact O-CB 3.34Å; A232-F236 PolarHBondContact O-N 2.87Å
233I92.5Very high87.8Confident78 Ų78103.2 Ų103.240%0.453%0.532SS..Hα-helixtrans-66-43.6176.6-67.7162.9000110.4M225 M229 A230 L235 F236 V237M225-I233 HydrophobicContact SD-CD1 3.44Å; M225-I233 WeakPolarHBondContact SD-CD1 3.22Å; M229-I233 WeakPolarHBondContact O-CB 3.3Å; M229-I233 WeakPolarHBondContact O-CD1 3.41Å; M229-I233 WeakPolarHBondContact O-CG1 3.39Å; M229-I233 PolarHBondContact O-N 3.45Å; A230-I233 PolarHBondContact O-N 3.43Å; I233-L235 VanDerWaalsContact C-N 3.31Å; I233-L235 PolarHBondContact O-N 2.96Å; I233-F236 PolarHBondContact O-N 3.41Å; I233-V237 HydrophobicContact CG2-CG2 4.35Å; I233-V237 WeakPolarHBondContact O-CG2 3.45Å; I233-V237 PolarHBondContact O-N 3.35Å
234M93.4Very high89.3Confident141 Ų14199 Ų9970%0.69552%0.52SS*.Hα-helixtrans-60.9-40.3175.5-75.7-66.2-67.900112.1A230 V231 G238A230-M234 WeakPolarHBondContact O-CB 3.3Å; A230-M234 VanDerWaalsContact O-CG 3.3Å; A230-M234 WeakPolarHBondContact O-CG 3.46Å; A230-M234 PolarHBondContact O-N 2.74Å; V231-M234 PolarHBondContact O-N 3.22Å; M234-G238 PolarHBondContact O-N 2.91Å
235L95.5Very high90.8Very high112 Ų112101.8 Ų101.859%0.58651%0.51SS*.Hα-helixtrans-65.2-43.9175.2-176.267.1000111.5V231 A232 I233 G238 I239V231-L235 WeakPolarHBondContact O-CB 3.4Å; V231-L235 PolarHBondContact O-N 3.42Å; A232-L235 PolarHBondContact O-N 3.37Å; I233-L235 VanDerWaalsContact C-N 3.31Å; I233-L235 PolarHBondContact O-N 2.96Å; L235-G238 PolarHBondContact O-N 2.78Å; L235-I239 HydrophobicContact CD1-CD1 3.84Å; L235-I239 HydrophobicContact CD1-CG1 4.36Å; L235-I239 HydrophobicContact CG-CD1 3.87Å; L235-I239 VanDerWaalsContact O-CG1 3.32Å; L235-I239 WeakPolarHBondContact O-CG1 3.41Å; L235-I239 PolarHBondContact O-N 2.65Å
236F96.1Very high91.8Very high136 Ų136103.1 Ų103.160%0.59652%0.518SS*.Hα-helixtrans-61.8-49.4178.5-173.8-102.5000111.4A232 I233 G238 I239 I240A232-F236 WeakPolarHBondContact O-CB 3.34Å; A232-F236 PolarHBondContact O-N 2.87Å; I233-F236 PolarHBondContact O-N 3.41Å; F236-G238 VanDerWaalsContact C-N 3.32Å; F236-G238 PolarHBondContact O-N 2.88Å; F236-I239 PolarHBondContact O-N 2.97Å; F236-I240 HydrophobicContact CD1-CD1 3.52Å; F236-I240 HydrophobicContact CD2-CD1 3.44Å; F236-I240 VanDerWaalsContact CD2-CD1 3.44Å; F236-I240 HydrophobicContact CD2-CG1 4.46Å; F236-I240 HydrophobicContact CE1-CD1 3.17Å; F236-I240 HydrophobicContact CE2-CD1 3.1Å; F236-I240 HydrophobicContact CE2-CG1 4.39Å; F236-I240 HydrophobicContact CG-CD1 3.65Å; F236-I240 HydrophobicContact CZ-CD1 2.95Å; F236-I240 HydrophobicContact CZ-CG1 4.43Å; F236-I240 VanDerWaalsContact O-CB 3.26Å; F236-I240 WeakPolarHBondContact O-CB 3.26Å; F236-I240 WeakPolarHBondContact O-CG1 3.22Å; F236-I240 PolarHBondContact O-N 2.83Å
237V95.9Very high92.1Very high75 Ų75100 Ų10046%0.45551%0.513SS..Hα-helixtrans-61.9-42.1175.6174.90000110.6I233 I239 T241I233-V237 HydrophobicContact CG2-CG2 4.35Å; I233-V237 WeakPolarHBondContact O-CG2 3.45Å; I233-V237 PolarHBondContact O-N 3.35Å; V237-I239 VanDerWaalsContact C-N 3.3Å; V237-I239 PolarHBondContact O-N 3.35Å; V237-T241 WeakPolarHBondContact O-CB 2.98Å; V237-T241 PolarHBondContact O-N 2.94Å; V237-T241 PolarHBondContact O-OG1 3.31Å
238G95Very high92.6Very high49 Ų4995.9 Ų95.951%0.50550%0.498SS..Hα-helixtrans-66.1-25.5178.800000114.8M234 L235 F236 P242M234-G238 PolarHBondContact O-N 2.91Å; L235-G238 PolarHBondContact O-N 2.78Å; F236-G238 VanDerWaalsContact C-N 3.32Å; F236-G238 PolarHBondContact O-N 2.88Å; G238-P242 WeakPolarHBondContact O-CD 3.24Å; G238-P242 WeakPolarHBondContact O-CG 3.17Å
239I94.9Very high92.8Very high93 Ų9392 Ų9248%0.47748%0.484SS..Hα-helixtrans-93.6-41176.1-65.6170.3000111.1L235 F236 V237 P242 V243L235-I239 HydrophobicContact CD1-CD1 3.84Å; L235-I239 HydrophobicContact CD1-CG1 4.36Å; L235-I239 HydrophobicContact CG-CD1 3.87Å; L235-I239 VanDerWaalsContact O-CG1 3.32Å; L235-I239 WeakPolarHBondContact O-CG1 3.41Å; L235-I239 PolarHBondContact O-N 2.65Å; F236-I239 PolarHBondContact O-N 2.97Å; V237-I239 VanDerWaalsContact C-N 3.3Å; V237-I239 PolarHBondContact O-N 3.35Å; I239-P242 VanDerWaalsContact O-CD 3.27Å; I239-P242 WeakPolarHBondContact O-CD 3.46Å; I239-P242 VanDerWaalsContact O-CG 3.27Å; I239-P242 WeakPolarHBondContact O-CG 3.32Å; I239-V243 HydrophobicContact CG2-CG2 4.4Å; I239-V243 WeakPolarHBondContact O-CB 3.16Å; I239-V243 WeakPolarHBondContact O-CG2 3.29Å; I239-V243 PolarHBondContact O-N 3.5Å
240I95.1Very high92.5Very high70 Ų7092.1 Ų92.136%0.35948%0.484SS..Hα-helixtrans-74.3-38.1-175.6-74.3173000111.9F236 V243 F244F236-I240 HydrophobicContact CD1-CD1 3.52Å; F236-I240 HydrophobicContact CD2-CD1 3.44Å; F236-I240 VanDerWaalsContact CD2-CD1 3.44Å; F236-I240 HydrophobicContact CD2-CG1 4.46Å; F236-I240 HydrophobicContact CE1-CD1 3.17Å; F236-I240 HydrophobicContact CE2-CD1 3.1Å; F236-I240 HydrophobicContact CE2-CG1 4.39Å; F236-I240 HydrophobicContact CG-CD1 3.65Å; F236-I240 HydrophobicContact CZ-CD1 2.95Å; F236-I240 HydrophobicContact CZ-CG1 4.43Å; F236-I240 VanDerWaalsContact O-CB 3.26Å; F236-I240 WeakPolarHBondContact O-CB 3.26Å; F236-I240 WeakPolarHBondContact O-CG1 3.22Å; F236-I240 PolarHBondContact O-N 2.83Å; I240-V243 PolarHBondContact O-N 3.37Å; I240-F244 WeakPolarHBondContact O-CB 3.46Å; I240-F244 PolarHBondContact O-N 3.28Å
241T93.3Very high92Very high84 Ų8494 Ų9452%0.51549%0.491SS..Hα-helixtrans-58-50.3177.6-53.30000112.1V237 Y245V237-T241 WeakPolarHBondContact O-CB 2.98Å; V237-T241 PolarHBondContact O-N 2.94Å; V237-T241 PolarHBondContact O-OG1 3.31Å; T241-Y245 VanDerWaalsContact O-CB 3.22Å; T241-Y245 WeakPolarHBondContact O-CB 3.27Å; T241-Y245 PolarHBondContact O-N 3.45Å
242P93.3Very high90.9Very high61 Ų6194.6 Ų94.640%0.39649%0.491SS..Hα-helixtrans-69.9-35.5177.226.2-34.2000113.1G238 I239 Y245 L246G238-P242 WeakPolarHBondContact O-CD 3.24Å; G238-P242 WeakPolarHBondContact O-CG 3.17Å; I239-P242 VanDerWaalsContact O-CD 3.27Å; I239-P242 WeakPolarHBondContact O-CD 3.46Å; I239-P242 VanDerWaalsContact O-CG 3.27Å; I239-P242 WeakPolarHBondContact O-CG 3.32Å; P242-Y245 PolarHBondContact O-N 3.22Å; P242-L246 WeakPolarHBondContact O-CB 3.16Å; P242-L246 VanDerWaalsContact O-CG 3.26Å; P242-L246 WeakPolarHBondContact O-CG 3.04Å; P242-L246 PolarHBondContact O-N 2.74Å
243V94Very high89.6Confident78 Ų7896.2 Ų96.247%0.47350%0.496SS..Hα-helixtrans-64.6-46.5176170.50000110.7I239 I240 Y245 L246 L247I239-V243 HydrophobicContact CG2-CG2 4.4Å; I239-V243 WeakPolarHBondContact O-CB 3.16Å; I239-V243 WeakPolarHBondContact O-CG2 3.29Å; I239-V243 PolarHBondContact O-N 3.5Å; I240-V243 PolarHBondContact O-N 3.37Å; V243-Y245 VanDerWaalsContact C-N 3.34Å; V243-L246 PolarHBondContact O-N 2.88Å; V243-L247 HydrophobicContact CG1-CD1 4.01Å; V243-L247 HydrophobicContact CG1-CG 4.42Å; V243-L247 WeakPolarHBondContact O-CB 3.3Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.44Å; V243-L247 PolarHBondContact O-N 3.44Å
244F93.8Very high88.2Confident140 Ų14099.1 Ų99.161%0.61451%0.506SS*.Hα-helixtrans-65.3-38.3176.9-173.2-96.4000111.6I240 L247 Y248I240-F244 WeakPolarHBondContact O-CB 3.46Å; I240-F244 PolarHBondContact O-N 3.28Å; F244-L247 PolarHBondContact O-N 2.86Å; F244-Y248 WeakPolarHBondContact O-CB 3.28Å; F244-Y248 PolarHBondContact O-N 3.3Å
245Y93.1Very high86.6Confident128 Ų12895.9 Ų95.950%0.50249%0.494SS..Hα-helixtrans-61.2-47.7172.7-177.1-89.2000111T241 P242 V243 L247 Y248 Y249T241-Y245 VanDerWaalsContact O-CB 3.22Å; T241-Y245 WeakPolarHBondContact O-CB 3.27Å; T241-Y245 PolarHBondContact O-N 3.45Å; P242-Y245 PolarHBondContact O-N 3.22Å; V243-Y245 VanDerWaalsContact C-N 3.34Å; Y245-L247 PolarHBondContact O-N 3.46Å; Y245-Y248 WeakPolarHBondContact O-CB 3.26Å; Y245-Y248 PolarHBondContact O-N 2.89Å; Y245-Y249 AromaticContact CD1-CD2 3.79Å; Y245-Y249 HydrophobicContact CD1-CD2 3.79Å; Y245-Y249 HydrophobicContact CD1-CE2 4.06Å; Y245-Y249 HydrophobicContact CD2-CD2 4.09Å; Y245-Y249 AromaticContact CD2-CE2 3.71Å; Y245-Y249 HydrophobicContact CD2-CE2 3.71Å; Y245-Y249 AromaticContact CE1-CD2 3.55Å; Y245-Y249 HydrophobicContact CE1-CD2 3.55Å; Y245-Y249 AromaticContact CE1-CE2 3.53Å; Y245-Y249 HydrophobicContact CE1-CE2 3.53Å; Y245-Y249 HydrophobicContact CE1-CG 4.39Å; Y245-Y249 AromaticContact CE2-CD2 3.9Å; Y245-Y249 HydrophobicContact CE2-CD2 3.9Å; Y245-Y249 AromaticContact CE2-CE2 3.17Å; Y245-Y249 HydrophobicContact CE2-CE2 3.17Å; Y245-Y249 AromaticContact CE2-CZ 3.96Å; Y245-Y249 HydrophobicContact CG-CD2 4.05Å; Y245-Y249 HydrophobicContact CG-CE2 4.14Å; Y245-Y249 AromaticContact CZ-CD2 3.61Å; Y245-Y249 AromaticContact CZ-CE2 3.04Å; Y245-Y249 AromaticContact CZ-CZ 3.61Å; Y245-Y249 VanDerWaalsContact O-CD2 3.28Å; Y245-Y249 WeakPolarHBondContact O-CD2 3.44Å; Y245-Y249 PolarHBondContact O-N 3.41Å; Y245-Y249 VanDerWaalsContact OH-CE2 3.3Å; Y245-Y249 WeakPolarHBondContact OH-CE2 3.21Å; Y245-Y249 VanDerWaalsContact OH-CZ 3.31Å; Y245-Y249 PolarHBondContact OH-OH 3.21Å
246L90.6Very high84.7Confident112 Ų11298.3 Ų98.359%0.58650%0.502SS*.Hα-helixtrans-63.4-41.8177.3-70.4175.3000112.2P242 V243 Y249 E250P242-L246 WeakPolarHBondContact O-CB 3.16Å; P242-L246 VanDerWaalsContact O-CG 3.26Å; P242-L246 WeakPolarHBondContact O-CG 3.04Å; P242-L246 PolarHBondContact O-N 2.74Å; V243-L246 PolarHBondContact O-N 2.88Å; L246-Y249 PolarHBondContact O-N 3.2Å; L246-E250 WeakPolarHBondContact O-CB 3.27Å; L246-E250 PolarHBondContact O-N 3.32Å
247L89Confident82.6Confident91 Ų9197.9 Ų97.948%0.47651%0.51SS..Hα-helixtrans-66.2-37.8174-69.8175.7000112V243 F244 Y245 E250 V251V243-L247 HydrophobicContact CG1-CD1 4.01Å; V243-L247 HydrophobicContact CG1-CG 4.42Å; V243-L247 WeakPolarHBondContact O-CB 3.3Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.44Å; V243-L247 PolarHBondContact O-N 3.44Å; F244-L247 PolarHBondContact O-N 2.86Å; Y245-L247 PolarHBondContact O-N 3.46Å; L247-E250 PolarHBondContact O-N 3.09Å; L247-V251 WeakPolarHBondContact O-CA 3.19Å; L247-V251 WeakPolarHBondContact O-CB 3.09Å; L247-V251 WeakPolarHBondContact O-CG2 3.23Å; L247-V251 PolarHBondContact O-N 2.9Å
248Y90.4Very high80.4Confident119 Ų11999 Ų9947%0.46752%0.521SS..Hα-helixtrans-61.1-51.5174.8174-84.7000110.1F244 Y245 E250 L252F244-Y248 WeakPolarHBondContact O-CB 3.28Å; F244-Y248 PolarHBondContact O-N 3.3Å; Y245-Y248 WeakPolarHBondContact O-CB 3.26Å; Y245-Y248 PolarHBondContact O-N 2.89Å; Y248-E250 PolarHBondContact O-N 3.46Å; Y248-L252 HydrophobicContact CD1-CD1 4.47Å; Y248-L252 HydrophobicContact CD2-CD1 3.12Å; Y248-L252 HydrophobicContact CE1-CD1 4.48Å; Y248-L252 HydrophobicContact CE2-CD1 3.13Å; Y248-L252 HydrophobicContact CG-CD1 3.82Å; Y248-L252 VanDerWaalsContact O-CB 3.24Å; Y248-L252 WeakPolarHBondContact O-CB 3.44Å; Y248-L252 PolarHBondContact O-N 2.86Å
249Y89.3Confident78.2Confident112 Ų112104.3 Ų104.344%0.43953%0.533SS..Hα-helixtrans-65.8-40.2178.2-85.8-92000111.8Y245 L246 V253Y245-Y249 AromaticContact CD1-CD2 3.79Å; Y245-Y249 HydrophobicContact CD1-CD2 3.79Å; Y245-Y249 HydrophobicContact CD1-CE2 4.06Å; Y245-Y249 HydrophobicContact CD2-CD2 4.09Å; Y245-Y249 AromaticContact CD2-CE2 3.71Å; Y245-Y249 HydrophobicContact CD2-CE2 3.71Å; Y245-Y249 AromaticContact CE1-CD2 3.55Å; Y245-Y249 HydrophobicContact CE1-CD2 3.55Å; Y245-Y249 AromaticContact CE1-CE2 3.53Å; Y245-Y249 HydrophobicContact CE1-CE2 3.53Å; Y245-Y249 HydrophobicContact CE1-CG 4.39Å; Y245-Y249 AromaticContact CE2-CD2 3.9Å; Y245-Y249 HydrophobicContact CE2-CD2 3.9Å; Y245-Y249 AromaticContact CE2-CE2 3.17Å; Y245-Y249 HydrophobicContact CE2-CE2 3.17Å; Y245-Y249 AromaticContact CE2-CZ 3.96Å; Y245-Y249 HydrophobicContact CG-CD2 4.05Å; Y245-Y249 HydrophobicContact CG-CE2 4.14Å; Y245-Y249 AromaticContact CZ-CD2 3.61Å; Y245-Y249 AromaticContact CZ-CE2 3.04Å; Y245-Y249 AromaticContact CZ-CZ 3.61Å; Y245-Y249 VanDerWaalsContact O-CD2 3.28Å; Y245-Y249 WeakPolarHBondContact O-CD2 3.44Å; Y245-Y249 PolarHBondContact O-N 3.41Å; Y245-Y249 VanDerWaalsContact OH-CE2 3.3Å; Y245-Y249 WeakPolarHBondContact OH-CE2 3.21Å; Y245-Y249 VanDerWaalsContact OH-CZ 3.31Å; Y245-Y249 PolarHBondContact OH-OH 3.21Å; L246-Y249 PolarHBondContact O-N 3.2Å; Y249-V253 HydrophobicContact CD1-CG2 4.17Å; Y249-V253 WeakPolarHBondContact O-CB 3.27Å; Y249-V253 WeakPolarHBondContact O-CG2 3.13Å; Y249-V253 PolarHBondContact O-N 3.2Å
250E83.6Confident76Confident100 Ų100109.2 Ų109.247%0.46755%0.553SS.*Hα-helixtrans-74.2-42.5-178-172.6165.9-158.100112.2L246 L247 Y248 K254L246-E250 WeakPolarHBondContact O-CB 3.27Å; L246-E250 PolarHBondContact O-N 3.32Å; L247-E250 PolarHBondContact O-N 3.09Å; Y248-E250 PolarHBondContact O-N 3.46Å; E250-K254 HydrophobicContact CG-CD 3.91Å; E250-K254 WeakPolarHBondContact O-CB 3.35Å; E250-K254 VanDerWaalsContact O-CD 3.27Å; E250-K254 WeakPolarHBondContact O-CD 3.41Å; E250-K254 WeakPolarHBondContact O-CG 3.21Å; E250-K254 PolarHBondContact O-N 3.44Å; E250-K254 IonicContact OE1-NZ 2.99Å; E250-K254 PolarHBondContact OE1-NZ 2.96Å
251V79.6Confident73.3Confident81 Ų81109.8 Ų109.849%0.49158%0.576SS.*Hα-helixtrans-78.8-51.6-178178.20000110.6L247 T255L247-V251 WeakPolarHBondContact O-CA 3.19Å; L247-V251 WeakPolarHBondContact O-CB 3.09Å; L247-V251 WeakPolarHBondContact O-CG2 3.23Å; L247-V251 PolarHBondContact O-N 2.9Å; V251-T255 HydrophobicContact CG1-CG2 4.47Å; V251-T255 WeakPolarHBondContact O-CB 3.09Å; V251-T255 WeakPolarHBondContact O-CG2 3.12Å; V251-T255 PolarHBondContact O-N 3.37Å; V251-T255 PolarHBondContact O-OG1 3.48Å
252L67.6Low70.8Confident76 Ų76110.4 Ų110.440%0.39859%0.59SS.*Hα-helixtrans-74.9-36.6-174.3-73.3150.8000113.2Y248 T255 E256Y248-L252 HydrophobicContact CD1-CD1 4.47Å; Y248-L252 HydrophobicContact CD2-CD1 3.12Å; Y248-L252 HydrophobicContact CE1-CD1 4.48Å; Y248-L252 HydrophobicContact CE2-CD1 3.13Å; Y248-L252 HydrophobicContact CG-CD1 3.82Å; Y248-L252 VanDerWaalsContact O-CB 3.24Å; Y248-L252 WeakPolarHBondContact O-CB 3.44Å; Y248-L252 PolarHBondContact O-N 2.86Å; L252-T255 WeakPolarHBondContact CA-OG1 3.16Å; L252-T255 PolarHBondContact O-N 3.27Å; L252-T255 PolarHBondContact O-OG1 2.79Å; L252-T255 VanDerWaalsContact O-OG1 3.09Å; L252-E256 VanDerWaalsContact O-CG 3.23Å; L252-E256 WeakPolarHBondContact O-CG 3.04Å; L252-E256 PolarHBondContact O-N 2.72Å
253V66.4Low68.7Low85 Ų85113.7 Ų113.752%0.51561%0.611SS.*Hα-helixtrans-73-33.2176.3-175.30000111.2Y249Y249-V253 HydrophobicContact CD1-CG2 4.17Å; Y249-V253 WeakPolarHBondContact O-CB 3.27Å; Y249-V253 WeakPolarHBondContact O-CG2 3.13Å; Y249-V253 PolarHBondContact O-N 3.2Å
254K62.9Low66.2Low139 Ų139113.2 Ų113.260%0.60462%0.622SS**Hα-helixtrans-75.5-26.1174.2-71.1174.9172.5164.40112.9E250E250-K254 HydrophobicContact CG-CD 3.91Å; E250-K254 WeakPolarHBondContact O-CB 3.35Å; E250-K254 VanDerWaalsContact O-CD 3.27Å; E250-K254 WeakPolarHBondContact O-CD 3.41Å; E250-K254 WeakPolarHBondContact O-CG 3.21Å; E250-K254 PolarHBondContact O-N 3.44Å; E250-K254 IonicContact OE1-NZ 2.99Å; E250-K254 PolarHBondContact OE1-NZ 2.96Å
255T59.8Low63.5Low72 Ų72115 Ų11544%0.44263%0.632SS.*Hα-helixtrans-79.8-26.3176.9510000113.8V251 L252 V257V251-T255 HydrophobicContact CG1-CG2 4.47Å; V251-T255 WeakPolarHBondContact O-CB 3.09Å; V251-T255 WeakPolarHBondContact O-CG2 3.12Å; V251-T255 PolarHBondContact O-N 3.37Å; V251-T255 PolarHBondContact O-OG1 3.48Å; L252-T255 WeakPolarHBondContact CA-OG1 3.16Å; L252-T255 PolarHBondContact O-N 3.27Å; L252-T255 PolarHBondContact O-OG1 2.79Å; L252-T255 VanDerWaalsContact O-OG1 3.09Å; T255-V257 PolarHBondContact O-N 2.76Å
256E54.3Low60.7Low164 Ų164114 Ų11477%0.76664%0.64SS**THydrogen-bonded Turntrans-76.1-5.4179.4-70.6-94.8140.600113.9L252L252-E256 VanDerWaalsContact O-CG 3.23Å; L252-E256 WeakPolarHBondContact O-CG 3.04Å; L252-E256 PolarHBondContact O-N 2.72Å
257V53Low58.2Low126 Ų126117 Ų11776%0.76465%0.654SS**THydrogen-bonded Turntrans-98.8-7.5177.4176.70000113.5T255T255-V257 PolarHBondContact O-N 2.76Å
258S50.3Low55.5Low99 Ų99116.1 Ų116.169%0.69267%0.668SS**SBendtrans-101.8-1.7-174-108.20000117.1
259H48.5Very low52.8Low161 Ų161118.8 Ų118.875%0.74569%0.69SS**SBendtrans-119.56.6-173.8-72.1-57.8000117.9
260H48.2Very low50.1Low196 Ų196117.1 Ų117.191%0.90771%0.707SS**SBendtrans-128.985.4168.4-76-67.2000111.8
261G37.5Very low47.7Very low81 Ų81121.2 Ų121.284%0.83573%0.726SS**  trans-179.646.4176.600000114.9
262A42.8Very low45.6Very low98 Ų98125.9 Ų125.981%0.8174%0.742SS**  trans-106.3127.515500000106.9
263P48.6Very low44.2Very low130 Ų130130.4 Ų130.484%0.84476%0.761SS**  -141.814586.735.9-20.1000114.6
264G41.3Very low42.7Very low68 Ų68133.7 Ų133.770%0.70178%0.775SS**  85.8111.6126.400000118.7
265Q37Very low41.7Very low177 Ų177132.5 Ų132.583%0.82778%0.779SS**  trans104.9111.5134.5-58.6-166.136.500119
266T34.1Very low40.5Very low108 Ų108135 Ų13566%0.66379%0.794SS**  76.4110.6128.160.20000120.7
267I38.8Very low39.8Very low173 Ų173131.7 Ų131.789%0.88779%0.79SS**  53.7120.6122.2-57.1168.9000117.5
268G32.6Very low39.1Very low73 Ų73135.2 Ų135.275%0.75380%0.795SS**  trans160.8112.2152.800000114.4
269D33.1Very low38.3Very low176 Ų176135.9 Ų135.994%0.94180%0.795SS**  trans-53.9161.1171.7-68.7-58.7000115.2
270G32.1Very low37.9Very low76 Ų76134.4 Ų134.478%0.78479%0.792SS**  trans124.7127.9139.300000118
271Q34Very low37.3Very low187 Ų187132 Ų13287%0.87479%0.786SS**  trans-37.9150.1163.8-77.1153.5-90.700115
272Q33.8Very low37.2Very low179 Ų179133.5 Ų133.584%0.83678%0.778SS**  165.513794.7-161.1159.831.100113.1
273E40Very low36.9Very low170 Ų170136 Ų13679%0.79478%0.777SS**  trans-36.6134.6158.2-179.4-167.7136.400115
274L33.4Very low36.1Very low154 Ų154134.1 Ų134.181%0.80677%0.767SS**  trans-156.2109.1148.3-165.766.3000112.2
275V42.3Very low36Very low115 Ų115139.9 Ų139.970%0.69777%0.773SS**  trans-65.1129.4159.11720000108.7
276T34.3Very low35.9Very low123 Ų123138.9 Ų138.976%0.75577%0.773SS**  trans-158.1122.5144.4-1.30000112.7
277S41.1Very low35.7Very low95 Ų95137 Ų13766%0.66478%0.776SS**  trans-74.1152.3170.2390000112.7
278K37.2Very low35.7Very low200 Ų200136.3 Ų136.387%0.8777%0.774SS**  trans177.7110.7142.4-98.6161.3-179.7-1780107.6
279T33.4Very low36.5Very low114 Ų114138.4 Ų138.470%0.69977%0.774SS**  91114.265.2-69.90000112.3
280L40.9Very low36.6Very low129 Ų129134.4 Ų134.468%0.67577%0.766SS**  trans61.6139151-75.8162.5000117.7V282L280-V282 HydrophobicContact CD2-CB 4.31Å; L280-V282 HydrophobicContact CD2-CG2 3.56Å
281D34.6Very low36.8Very low147 Ų147140.1 Ų140.179%0.78677%0.772SS**  cis-141.4135.741.5-65.7-60.2000110.3
282V36.1Very low36.7Very low112 Ų112134.3 Ų134.368%0.67976%0.762SS**  48.5105.869.5-177.60000114.1L280L280-V282 HydrophobicContact CD2-CB 4.31Å; L280-V282 HydrophobicContact CD2-CG2 3.56Å
283L35.3Very low36.8Very low150 Ų150135.2 Ų135.279%0.78577%0.766SS**  170.6129.3105.4-166.861.6000113.1
284S33.2Very low36.8Very low91 Ų91136.3 Ų136.364%0.63677%0.768SS**  trans45.9124.4152.1-60.40000120.6
285K39.4Very low36.8Very low189 Ų189138.4 Ų138.482%0.82277%0.774SS**  cis64.5140.248.4-150.9172.1178.5174.70113.9
286D33.5Very low36.4Very low155 Ų155137.4 Ų137.483%0.82978%0.777SS**  trans96.3131-178.8-48.2-27.5000111.9
287G31.6Very low36.4Very low70 Ų70136.1 Ų136.172%0.72278%0.78SS**  cis171.1137.74.200000106
288D38.8Very low36.2Very low157 Ų157140.4 Ų140.484%0.8479%0.789SS**  trans-72153.4168.944.9-56.5000110.2
289P49.5Very low36.1Very low118 Ų118137 Ų13777%0.76679%0.785SS**  -157.3172.872.140.7-18.5000118.8
290A35.2Very low36.5Very low92 Ų92138.8 Ų138.876%0.7679%0.79SS**  trans90.7148.2140.800000122.5
291E34.7Very low36.9Very low195 Ų195137 Ų13791%0.91179%0.786SS**  trans82.3109.6173.2-53.3-166.6164.300115.8
292G33.2Very low36.9Very low65 Ų65139.1 Ų139.167%0.6779%0.792SS**  cis102.48213.400000111.4
293H36.1Very low36.6Very low199 Ų199137.6 Ų137.692%0.92180%0.799SS**  trans-155.2127.1154.2-102.8-87.7000111
294K38.3Very low36.4Very low193 Ų193134.5 Ų134.584%0.83980%0.803SS**  trans-83.7142.9172.8-59.4176.3176.3-175.80109.1
295Q34.3Very low36.5Very low197 Ų197133.8 Ų133.892%0.92181%0.809SS**  -168.3135.7126.7-138.8123.117.500112.2
296A34.8Very low36.5Very low94 Ų94129 Ų12978%0.77781%0.805SS**  trans-83.1150.8165.800000110.5
297A32.8Very low36.8Very low97 Ų97128.7 Ų128.780%0.80280%0.803SS**  trans175116.4135.800000111.2
298Q37.2Very low37.2Very low185 Ų185135.2 Ų135.286%0.86481%0.812SS**  trans-4.8136.8134.7-167.4175.221.600116.9
299V35.3Very low37.3Very low128 Ų128132 Ų13278%0.77681%0.808SS**  trans176.7118.6132.4150.90000108.9
300N40.9Very low36.8Very low152 Ų152135.3 Ų135.381%0.81381%0.812SS**  trans-86.9147.9155.5-164.112.4000106.6
301P49.8Very low37.2Very low92 Ų92134.9 Ų134.960%0.59781%0.809SS**  -147.5146.1121.330.9-11.8000115.9
302E34.3Very low37.5Very low191 Ų191132 Ų13289%0.89380%0.804SS**  trans53.2136.7132-63-171.7106.300122.3
303G31.2Very low37.7Very low80 Ų80135.2 Ų135.283%0.82580%0.802SS**  trans16090135.400000117.4
304G30.5Very low37.9Very low85 Ų85134 Ų13488%0.87679%0.793SS**  trans77.7134.8144.400000117.7
305G34.4Very low37.9Very low75 Ų75130.3 Ų130.377%0.77379%0.792SS**  cis129140.917.400000109.4
306A41.3Very low38.2Very low88 Ų88130.5 Ų130.573%0.72779%0.791SS**  trans74.7143.5168.700000118.2
307D38.7Very low39.6Very low149 Ų149130.5 Ų130.580%0.79778%0.783SS**  cis-176142-9.1-89.5-32.4000105.5
308K40.5Very low40.1Very low207 Ų207134.4 Ų134.490%0.978%0.784SS**  163125.7123.9-96-176.6174.5177.40113.7
309A41.5Very low40.2Very low91 Ų91133.9 Ų133.975%0.75278%0.782SS**  trans-63.7155.8168.200000114
310H38.5Very low40.7Very low187 Ų187136.9 Ų136.987%0.86680%0.801SS**  -161.5136.5114.9-139.7-85.5000112
311A42.1Very low40.7Very low83 Ų83136.2 Ų136.269%0.68680%0.8SS**  trans-78.9169178.300000113.2
312V42.7Very low40.2Very low133 Ų133138.5 Ų138.581%0.80681%0.811SS**  trans149.6140.9145.4160.20000107.7
313E36.7Very low40.5Very low134 Ų134135.6 Ų135.663%0.62681%0.806SS**  cis-178140.4-22.6179.1164.8142.900104.4
314K40.6Very low41.1Very low172 Ų172138.8 Ų138.875%0.74881%0.805SS**  trans39.6128.8154.9-64.8167.6-167.6159.20121
315S38.4Very low41.8Very low116 Ų116142.2 Ų142.281%0.81180%0.801SS**  161.3118.498.160.30000112.8
316F40.3Very low42.2Very low202 Ų202146.7 Ų146.789%0.88680%0.803SS**  trans-73.4179.6150.1-99.9-89.9000109.7
317P63Low42.3Very low94 Ų94150.9 Ų150.961%0.6181%0.808SS**  cis-134.5-173.6-14.733.2-11.6000113.8
318E44.1Very low42.6Very low178 Ų178151 Ų15183%0.83281%0.809SS**  trans50128.7144.9-86.5-172117.700122.8
319E40.2Very low42.8Very low174 Ų174146.3 Ų146.381%0.81380%0.801SS**  -176118.4121.6-101.5-145.5114.800108.4
320T45Very low42.9Very low192 Ų192151.4 Ų151.4100%1.17881%0.806SS**  67.10103.545.90000116.3

Retrieved 320 of 320 residues in 151.3 ms (Link to these results)