A0A087XFL6_POEFO Loading...

Beclin-1

AlphaFold DB , UniProt , Accession A0A087XFL6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 448 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
1M33.9Very low33.5Very low246 Ų246144.5 Ų144.5100%1.21283%0.834SS**  0118.50-84.8175.6168.500107.5
2E28.7Very low34.8Very low195 Ų195147.8 Ų147.891%0.91184%0.836SS**  trans-38.3161.4153.2-70.4169.7146.500112.2
3A29.1Very low36.5Very low84 Ų84143.4 Ų143.469%0.69481%0.814SS**  cis-177162.7-900000107.8
4S35.3Very low38.4Very low106 Ų106138.5 Ų138.574%0.74179%0.793SS**  trans95.9136.6143.879.80000122.3
5K28.5Very low40.4Very low198 Ų198132 Ų13286%0.86175%0.752SS**  trans91.5125.6169.3-58.7178.9-179.7179.20114.8
6S27.2Very low42.7Very low115 Ų115127.1 Ų127.180%0.80473%0.726SS**  cis-164.614611.141.80000109
7S40.3Very low44.7Very low116 Ų116119.6 Ų119.681%0.81168%0.683SS**  trans-63.8130.5175.455.90000112.7
8S30.3Very low46.6Very low114 Ų114119.4 Ų119.480%0.79768%0.675SS**  trans-112.7109163.4-178.30000108.9T10S8-T10 PolarHBondContact O-N 3.46Å
9T35.7Very low48Very low119 Ų119120.3 Ų120.373%0.7367%0.667SS**  trans-63.7114.9175-50.90000109.6M11T9-M11 PolarHBondContact O-N 3.38Å; T9-M11 VanDerWaalsContact O-N 3.17Å
10T39.6Very low49.6Very low124 Ų124116.7 Ų116.776%0.76165%0.649SS**  trans-70.9105.7167.1490000108.3S8 Q12S8-T10 PolarHBondContact O-N 3.46Å; T10-Q12 PolarHBondContact O-N 3.17Å; T10-Q12 VanDerWaalsContact O-N 3.08Å
11M39.8Very low50.9Low173 Ų173115.6 Ų115.685%0.85265%0.65SS**  trans-62.1109.1172-69.8-17588.800108.9T9 V13T9-M11 PolarHBondContact O-N 3.38Å; T9-M11 VanDerWaalsContact O-N 3.17Å; M11-V13 PolarHBondContact O-N 2.94Å
12Q49.3Very low52.9Low183 Ų183108.7 Ų108.786%0.85562%0.615SS**  trans-75.1109.8166.6-77.5-179.3-21.500107.7T10 S14T10-Q12 PolarHBondContact O-N 3.17Å; T10-Q12 VanDerWaalsContact O-N 3.08Å; Q12-S14 PolarHBondContact O-N 3.11Å
13V57.6Low55Low91 Ų91104.1 Ų104.155%0.55260%0.602SS**  trans-79.6112.1171-177.20000107M11 L114M11-V13 PolarHBondContact O-N 2.94Å; V13-L114 HydrophobicContact CB-CD1 4.46Å; V13-L114 HydrophobicContact CB-CD2 4.27Å; V13-L114 HydrophobicContact CG1-CD2 4.12Å; V13-L114 HydrophobicContact CG2-CD1 4.14Å
14S62Low57Low75 Ų75101.6 Ų101.652%0.52458%0.577SS.*  trans-101.8120.9175.157.40000109.8Q12Q12-S14 PolarHBondContact O-N 3.11Å
15F68.6Low58.5Low41 Ų41106.5 Ų106.518%0.1858%0.584CS.*  trans-70.2149.3167.1-65.8-85.8000109.2L24 L26 L114 T117 F121F15-L24 HydrophobicContact CB-CB 4.49Å; F15-L24 PolarHBondContact O-N 2.93Å; F15-L26 HydrophobicContact CD2-CD1 3.35Å; F15-L26 HydrophobicContact CD2-CG 4Å; F15-L26 HydrophobicContact CE2-CD1 3.52Å; F15-L26 HydrophobicContact CG-CD1 4.2Å; F15-L26 HydrophobicContact CZ-CD1 4.49Å; F15-L114 HydrophobicContact CE2-CD2 3.69Å; F15-L114 HydrophobicContact CZ-CD2 3.64Å; F15-T117 WeakPolarHBondContact CZ-OG1 3.37Å; F15-F121 HydrophobicContact CD1-CD2 4.2Å; F15-F121 AromaticContact CD1-CE2 3.92Å; F15-F121 HydrophobicContact CD1-CE2 3.92Å; F15-F121 HydrophobicContact CE1-CD2 4.37Å; F15-F121 HydrophobicContact CE1-CE2 4.21Å; F15-F121 HydrophobicContact CG-CE2 4.27Å
16V76.8Confident60.2Low54 Ų5499.8 Ų99.833%0.32756%0.558SS.*BIsolated β-bridgetrans-125.4140.3-173.9-176.90000107.9Q18 S21 Q22V16-Q18 PolarHBondContact O-N 3.01Å; V16-S21 WeakPolarHBondContact CG1-O 3.35Å; V16-Q22 CarbonylContact C-O 3.58Å; V16-Q22 WeakPolarHBondContact CA-O 3.2Å
17C78Confident61.9Low0 Ų098.8 Ų98.80%054%0.544CS..  trans-60.9123.3171.7175.30000109.3R19 C20 S21 Q22 L24 P133 C135C17-R19 PolarHBondContact O-N 3.14Å; C17-C20 VanDerWaalsContact CB-SG 3.5Å; C17-C20 PolarHBondContact SG-N 3.08Å; C17-C20 PolarHBondContact SG-SG 2.88Å; C17-S21 WeakPolarHBondContact O-CA 3.48Å; C17-S21 PolarHBondContact O-N 3.28Å; C17-Q22 PolarHBondContact N-O 3.01Å; C17-L24 HydrophobicContact CB-CD1 4.34Å; C17-L24 HydrophobicContact CB-CD2 4.17Å; C17-L24 HydrophobicContact CB-CG 4.25Å; C17-P133 CarbonylContact C-O 3.55Å; C17-P133 VanDerWaalsContact CA-O 3.25Å; C17-P133 WeakPolarHBondContact CA-O 3.44Å; C17-C135 HydrophobicContact CB-CB 4.13Å; C17-C135 PolarHBondContact SG-N 3.17Å
18Q78.6Confident62.7Low116 Ų11698.4 Ų98.454%0.54254%0.536SS..THydrogen-bonded Turntrans-68-20.9-177.2-65.4-67.62.200112.9V16 D131 P133V16-Q18 PolarHBondContact O-N 3.01Å; Q18-D131 HydrophobicContact CB-CB 3.84Å; Q18-D131 WeakPolarHBondContact CB-O 3.25Å; Q18-D131 HydrophobicContact CG-CB 4.05Å; Q18-P133 PolarHBondContact N-O 3.4Å
19R73.9Confident64.1Low135 Ų13596.1 Ų96.151%0.50952%0.52SS..THydrogen-bonded Turntrans-88.3-46.7179-169.5174.5-175.9-176.22.3113.9C17 L134 C138 T141C17-R19 PolarHBondContact O-N 3.14Å; R19-L134 HydrophobicContact CB-CD2 3.6Å; R19-C138 HydrophobicContact CB-CB 4.32Å; R19-C138 PolarHBondContact NH1-O 2.88Å; R19-T141 PolarHBondContact NH1-OG1 3.33Å
20C79.8Confident65.2Low48 Ų4893.7 Ų93.732%0.32450%0.5SS..THydrogen-bonded Turntrans-108.10.2-17670.90000114.3C17 Q22C17-C20 VanDerWaalsContact CB-SG 3.5Å; C17-C20 PolarHBondContact SG-N 3.08Å; C17-C20 PolarHBondContact SG-SG 2.88Å; C20-Q22 HydrophobicContact CB-CG 4.45Å; C20-Q22 PolarHBondContact O-N 3.09Å; C20-Q22 VanDerWaalsContact O-N 3.1Å
21S75.9Confident66Low94 Ų9492.1 Ų92.166%0.65749%0.487SS*.  trans57.221.2179.9-60.50000114.9V16 C17V16-S21 WeakPolarHBondContact CG1-O 3.35Å; C17-S21 WeakPolarHBondContact O-CA 3.48Å; C17-S21 PolarHBondContact O-N 3.28Å
22Q76.3Confident66.7Low102 Ų10290 Ų9048%0.47748%0.483SS..PPolyproline II helixtrans-87.7144177.4-68.3-176.2-1.600112.3V16 C17 C20 L24V16-Q22 CarbonylContact C-O 3.58Å; V16-Q22 WeakPolarHBondContact CA-O 3.2Å; C17-Q22 PolarHBondContact N-O 3.01Å; C20-Q22 HydrophobicContact CB-CG 4.45Å; C20-Q22 PolarHBondContact O-N 3.09Å; C20-Q22 VanDerWaalsContact O-N 3.1Å; Q22-L24 PolarHBondContact O-N 3.44Å
23P72.8Confident67.1Low98 Ų9884.1 Ų84.164%0.63646%0.457SS*.BIsolated β-bridgetrans-68.1124.7-179.827.9-33.7000111.2
24L70.7Confident67Low32 Ų3285 Ų8517%0.16846%0.459CS..PPolyproline II helixtrans-88.7136.2179.7-66.4169.6000110.8F15 C17 Q22 P133 C135F15-L24 HydrophobicContact CB-CB 4.49Å; F15-L24 PolarHBondContact O-N 2.93Å; C17-L24 HydrophobicContact CB-CD1 4.34Å; C17-L24 HydrophobicContact CB-CD2 4.17Å; C17-L24 HydrophobicContact CB-CG 4.25Å; Q22-L24 PolarHBondContact O-N 3.44Å; L24-P133 HydrophobicContact CD1-CB 3.51Å; L24-P133 HydrophobicContact CD1-CG 3.42Å; L24-P133 VanDerWaalsContact CD1-CG 3.42Å; L24-C135 HydrophobicContact CD2-CB 3.53Å
25K66.1Low66.8Low208 Ų20890.1 Ų90.190%0.90447%0.467SS*.  trans-94.3107.1164.4-68.3-178.2-177.9174.10107.6
26L66.1Low66.3Low58 Ų5892.6 Ų92.630%0.30449%0.485SS..  trans-66.5135.8173.3-61.6-178.8000109.5F15 F30 F121F15-L26 HydrophobicContact CD2-CD1 3.35Å; F15-L26 HydrophobicContact CD2-CG 4Å; F15-L26 HydrophobicContact CE2-CD1 3.52Å; F15-L26 HydrophobicContact CG-CD1 4.2Å; F15-L26 HydrophobicContact CZ-CD1 4.49Å; L26-F30 HydrophobicContact CB-CD2 4.41Å; L26-F121 HydrophobicContact CD2-CE2 4.33Å; L26-F121 HydrophobicContact CD2-CZ 3.83Å
27D60.9Low65.6Low94 Ų9492.9 Ų92.950%0.50349%0.487SS..  trans-65.1150.6177.2-173-94.6000111.3S29 F30D27-S29 PolarHBondContact O-N 3.45Å; D27-S29 VanDerWaalsContact OD1-CB 3.3Å; D27-S29 WeakPolarHBondContact OD1-CB 3.32Å; D27-S29 PolarHBondContact OD1-N 3.42Å; D27-S29 PolarHBondContact OD1-OG 3.05Å; D27-F30 HydrophobicContact CB-CD2 4.49Å; D27-F30 PolarHBondContact O-N 3.27Å; D27-F30 VanDerWaalsContact O-N 3.09Å
28T59Low64.8Low107 Ų10794.4 Ų94.466%0.65649%0.494SS*.G310 helixtrans-59.9-20.5-177.955.50000114.1F30 N31T28-F30 VanDerWaalsContact C-N 3.31Å; T28-F30 PolarHBondContact O-N 3.17Å; T28-N31 VanDerWaalsContact O-CB 3.25Å; T28-N31 WeakPolarHBondContact O-CB 3.03Å; T28-N31 PolarHBondContact O-N 3.11Å; T28-N31 PolarHBondContact O-ND2 2.94Å
29S59.1Low63.8Low66 Ų6696.1 Ų96.146%0.46250%0.503SS..G310 helixtrans-62.1-29.1174.149.30000114.1D27 N31 V32D27-S29 PolarHBondContact O-N 3.45Å; D27-S29 VanDerWaalsContact OD1-CB 3.3Å; D27-S29 WeakPolarHBondContact OD1-CB 3.32Å; D27-S29 PolarHBondContact OD1-N 3.42Å; D27-S29 PolarHBondContact OD1-OG 3.05Å; S29-N31 PolarHBondContact O-N 3.39Å; S29-N31 VanDerWaalsContact O-N 3.17Å; S29-V32 CarbonylContact O-C 3.6Å; S29-V32 PolarHBondContact O-N 2.96Å; S29-V32 VanDerWaalsContact O-N 3.11Å
30F58.8Low63.2Low69 Ų6996.7 Ų96.730%0.30351%0.511SS..G310 helixtrans-66.9-13.3172.1-75.2-85.2000113.2L26 D27 T28 V32 L33 T117L26-F30 HydrophobicContact CB-CD2 4.41Å; D27-F30 HydrophobicContact CB-CD2 4.49Å; D27-F30 PolarHBondContact O-N 3.27Å; D27-F30 VanDerWaalsContact O-N 3.09Å; T28-F30 VanDerWaalsContact C-N 3.31Å; T28-F30 PolarHBondContact O-N 3.17Å; F30-V32 VanDerWaalsContact C-N 3.35Å; F30-L33 HydrophobicContact CD1-CD1 3.92Å; F30-T117 HydrophobicContact CD1-CG2 4.41Å
31N56.1Low62Low91 Ų9199.6 Ų99.649%0.48752%0.523SS..G310 helixtrans-84-9.3175-60.8-61.4000113.4T28 S29T28-N31 VanDerWaalsContact O-CB 3.25Å; T28-N31 WeakPolarHBondContact O-CB 3.03Å; T28-N31 PolarHBondContact O-N 3.11Å; T28-N31 PolarHBondContact O-ND2 2.94Å; S29-N31 PolarHBondContact O-N 3.39Å; S29-N31 VanDerWaalsContact O-N 3.17Å
32V54.1Low61Low127 Ų12798.9 Ų98.977%0.7751%0.511SS*.  trans-133.559.4-175.8-165.90000109.6S29 F30S29-V32 CarbonylContact O-C 3.6Å; S29-V32 PolarHBondContact O-N 2.96Å; S29-V32 VanDerWaalsContact O-N 3.11Å; F30-V32 VanDerWaalsContact C-N 3.35Å
33L57.4Low59.8Low61 Ų6196.6 Ų96.632%0.31951%0.509SS..  trans-99.6119.4171.5-75160.2000109F30 I38F30-L33 HydrophobicContact CD1-CD1 3.92Å; L33-I38 HydrophobicContact CB-CD1 4.15Å; L33-I38 HydrophobicContact CB-CG1 4.13Å
34D55.8Low58.7Low108 Ų10896.7 Ų96.758%0.57851%0.51SS*.  trans-77.9152.9176.1-168.916.5000110.5V36 T37 I38D34-V36 PolarHBondContact O-N 3.07Å; D34-V36 VanDerWaalsContact O-N 3.15Å; D34-T37 PolarHBondContact N-OG1 2.89Å; D34-T37 VanDerWaalsContact N-OG1 3.11Å; D34-T37 PolarHBondContact O-N 2.81Å; D34-T37 VanDerWaalsContact O-N 3.12Å; D34-T37 PolarHBondContact O-OG1 2.67Å; D34-I38 PolarHBondContact O-N 3.12Å
35R57.8Low57.4Low184 Ų184100.5 Ų100.569%0.69453%0.534SS*.Hα-helixtrans-58.4-32.4-175.3-114.4-175.4173.3-168.4-2.1112.6Q39R35-Q39 PolarHBondContact O-N 3.46Å
36V58.3Low56.1Low92 Ų9296.6 Ų96.656%0.55853%0.528SS*.Hα-helixtrans-71.5-43179.1-175.40000111.1D34 I38 Q39 E40D34-V36 PolarHBondContact O-N 3.07Å; D34-V36 VanDerWaalsContact O-N 3.15Å; V36-I38 VanDerWaalsContact C-N 3.3Å; V36-I38 PolarHBondContact O-N 3.15Å; V36-Q39 PolarHBondContact O-N 3.24Å; V36-Q39 VanDerWaalsContact O-N 3.1Å; V36-E40 PolarHBondContact O-N 3.11Å
37T61.7Low54.6Low60 Ų6099.5 Ų99.537%0.36855%0.548SS..Hα-helixtrans-64.3-33.7178.144.70000113D34 Q39 L41D34-T37 PolarHBondContact N-OG1 2.89Å; D34-T37 VanDerWaalsContact N-OG1 3.11Å; D34-T37 PolarHBondContact O-N 2.81Å; D34-T37 VanDerWaalsContact O-N 3.12Å; D34-T37 PolarHBondContact O-OG1 2.67Å; T37-Q39 VanDerWaalsContact C-N 3.31Å; T37-Q39 PolarHBondContact O-N 3.23Å; T37-L41 WeakPolarHBondContact O-CD1 3.46Å; T37-L41 WeakPolarHBondContact O-CG 3.21Å; T37-L41 PolarHBondContact O-N 3.37Å
38I60.8Low53.2Low32 Ų32101.2 Ų101.216%0.16456%0.562CS.*Hα-helixtrans-66.8-36.5175.2-65.4163000110.6L33 D34 V36 L41 I42 V116L33-I38 HydrophobicContact CB-CD1 4.15Å; L33-I38 HydrophobicContact CB-CG1 4.13Å; D34-I38 PolarHBondContact O-N 3.12Å; V36-I38 VanDerWaalsContact C-N 3.3Å; V36-I38 PolarHBondContact O-N 3.15Å; I38-L41 PolarHBondContact O-N 3.18Å; I38-I42 HydrophobicContact CG2-CD1 3.71Å; I38-I42 WeakPolarHBondContact O-CD1 3.29Å; I38-I42 WeakPolarHBondContact O-CG1 3.25Å; I38-I42 PolarHBondContact O-N 3.1Å; I38-V116 HydrophobicContact CD1-CG1 3.85Å; I38-V116 HydrophobicContact CG1-CG1 4.46Å
39Q58.2Low51.7Low153 Ų153101.8 Ų101.872%0.71557%0.565SS**Hα-helixtrans-74.7-29.1-177.6-157.115611.700112.8R35 V36 T37R35-Q39 PolarHBondContact O-N 3.46Å; V36-Q39 PolarHBondContact O-N 3.24Å; V36-Q39 VanDerWaalsContact O-N 3.1Å; T37-Q39 VanDerWaalsContact C-N 3.31Å; T37-Q39 PolarHBondContact O-N 3.23Å
40E60.8Low50.4Low146 Ų146104.4 Ų104.468%0.68258%0.581SS**Hα-helixtrans-73.5-36.7171.1-69.7-164.6160.500112.8V36 I42 A43V36-E40 PolarHBondContact O-N 3.11Å; E40-I42 VanDerWaalsContact C-N 3.26Å; E40-I42 PolarHBondContact O-N 3.4Å; E40-A43 VanDerWaalsContact O-CB 3.29Å; E40-A43 WeakPolarHBondContact O-CB 3.3Å; E40-A43 PolarHBondContact O-N 2.94Å
41L56.1Low49.2Very low110 Ų110107.3 Ų107.358%0.57661%0.609SS**Hα-helixtrans-69.4-21.6177.3-72.4162.7000113.6T37 I38 L120T37-L41 WeakPolarHBondContact O-CD1 3.46Å; T37-L41 WeakPolarHBondContact O-CG 3.21Å; T37-L41 PolarHBondContact O-N 3.37Å; I38-L41 PolarHBondContact O-N 3.18Å; L41-L120 HydrophobicContact CD1-CD1 4.41Å
42I54.5Low47.8Very low78 Ų78108.7 Ų108.740%0.463%0.626SS.*THydrogen-bonded Turntrans-88.8-7.5176.6-61.4167.2000111.3I38 E40 I123I38-I42 HydrophobicContact CG2-CD1 3.71Å; I38-I42 WeakPolarHBondContact O-CD1 3.29Å; I38-I42 WeakPolarHBondContact O-CG1 3.25Å; I38-I42 PolarHBondContact O-N 3.1Å; E40-I42 VanDerWaalsContact C-N 3.26Å; E40-I42 PolarHBondContact O-N 3.4Å; I42-I123 HydrophobicContact CD1-CD1 4.12Å; I42-I123 HydrophobicContact CG1-CD1 3.84Å; I42-I123 HydrophobicContact CG2-CD1 4.18Å
43A49.9Very low46.8Very low54 Ų54112.3 Ų112.345%0.44663%0.631SS.*SBendtrans-67.7126.5177.400000110.1E40 V45E40-A43 VanDerWaalsContact O-CB 3.29Å; E40-A43 WeakPolarHBondContact O-CB 3.3Å; E40-A43 PolarHBondContact O-N 2.94Å; A43-V45 PolarHBondContact O-N 3.09Å
44P50.4Low45.3Very low101 Ų101119 Ų11966%0.65666%0.661SS**PPolyproline II helixtrans-64.5124.9-176.523.2-31.4000111.1V46P44-V46 PolarHBondContact O-N 2.6Å
45V43.5Very low44Very low111 Ų111118.8 Ų118.867%0.67368%0.675SS**PPolyproline II helixtrans-73.4117.6170.5-179.10000107.7A43 T47A43-V45 PolarHBondContact O-N 3.09Å; V45-T47 PolarHBondContact O-N 3.06Å
46V37.8Very low42.5Very low127 Ų127117 Ų11777%0.7768%0.679SS**  trans-68.999.6-178.4-179.60000109.5P44 V48P44-V46 PolarHBondContact O-N 2.6Å; V46-V48 HydrophobicContact CG1-CG2 4.22Å
47T34.4Very low41.1Very low119 Ų119117.7 Ų117.773%0.7369%0.687SS**  trans-82.9113.3166.245.20000109.6V45V45-T47 PolarHBondContact O-N 3.06Å
48V31.6Very low39.4Very low130 Ų130118.5 Ų118.579%0.78871%0.708SS**  trans-88.6106.4170.6-1790000107.9V46V46-V48 HydrophobicContact CG1-CG2 4.22Å
49T29Very low37.8Very low119 Ų119121.3 Ų121.373%0.7375%0.745SS**  trans-122.5127.3169.349.80000110.8
50P30.4Very low36.2Very low121 Ų121117.6 Ų117.679%0.78675%0.748SS**  trans-77.3148.6-179.632.5-31.9000111
51S34.2Very low34.5Very low130 Ų130120.2 Ų120.291%0.90976%0.76SS**  trans-75.1123.2177.9-69.60000111.9
52S26.3Very low33.1Very low119 Ų119119.9 Ų119.983%0.83277%0.773SS**  trans-149.2126.3153.155.50000109.8
53K33Very low31.8Very low203 Ų203120.6 Ų120.688%0.88379%0.791SS**  trans-80.6140.3176.4-68.4174175.7174.70108.9
54Q27.3Very low31Very low201 Ų201123.7 Ų123.794%0.93981%0.806SS**  trans-164.2127137.6-109.8168.715.800109.3
55A28.2Very low29.9Very low105 Ų105127.7 Ų127.787%0.86882%0.816SS**  trans-121.8121.8159.300000105.3
56D26.3Very low29.1Very low146 Ų146131.5 Ų131.578%0.78183%0.827SS**  trans-132143.7162.2-158.69.1000109.3
57S28.2Very low28.6Very low106 Ų106131.9 Ų131.974%0.74183%0.829SS**  trans25.3143158.356.30000121.3
58G26.6Very low28.3Very low78 Ų78135.4 Ų135.480%0.80484%0.835SS**  cis156.6159.47.700000110.8
59G26.1Very low28.3Very low90 Ų90135.3 Ų135.393%0.92883%0.834SS**  trans91.5137.1158.200000116.9
60G25.1Very low28.3Very low76 Ų76137 Ų13778%0.78483%0.834SS**  cis-167.5177.25.900000107
61E25.4Very low28.3Very low200 Ų200138.9 Ų138.994%0.93584%0.838SS**  cis-161.3168.821.5-85-175.9128.200110.2
62A26.9Very low28.5Very low103 Ų103141.1 Ų141.185%0.85183%0.831SS**  trans100103.6156.400000118.5
63A27.8Very low29.1Very low94 Ų94144.1 Ų144.178%0.77783%0.832SS**  trans-81.9175.1175.400000112.6
64P33.5Very low29.2Very low118 Ų118141.6 Ų141.677%0.76683%0.828SS**  -141.3154.870.130.2-8.7000117.6
65E25.8Very low29.8Very low186 Ų186136.3 Ų136.387%0.86983%0.827SS**  trans69.1100.6148.1-71.7-176.9170.800121.1
66E26.6Very low30.2Very low190 Ų190136.1 Ų136.189%0.88882%0.815SS**  trans-127.1137.2141.3-77.6-162.3165.100111.4
67T28.4Very low30.8Very low135 Ų135135.2 Ų135.283%0.82882%0.821SS**  trans-60.3129.1171.838.20000112.5
68F26.8Very low31.5Very low193 Ų193141.2 Ų141.285%0.84683%0.827SS**  trans-81.5121173.3-135.5-101.6000110.3E70F68-E70 HydrophobicContact CD1-CG 4.5Å; F68-E70 HydrophobicContact CE1-CG 4.38Å
69V31.6Very low32.1Very low128 Ų128146.7 Ų146.778%0.77683%0.829SS**  trans-114.8108.5160.1179.90000107N71V69-N71 PolarHBondContact O-N 2.97Å
70E30.5Very low33.1Very low155 Ų155151.8 Ų151.872%0.72482%0.821SS**  trans-66.3122.6168.4-113.5-178.514900109.3F68F68-E70 HydrophobicContact CD1-CG 4.5Å; F68-E70 HydrophobicContact CE1-CG 4.38Å
71N30.6Very low33.6Very low161 Ų161154.8 Ų154.886%0.86182%0.818SS**  trans-139114.4152.4-128.9-7.9000109.5V69V69-N71 PolarHBondContact O-N 2.97Å
72K38.3Very low34.3Very low176 Ų176149.5 Ų149.577%0.76580%0.801SS**  trans-66.2127.9175.1-76.9173.1169.8173.40109.8
73Q38.7Very low34.8Very low182 Ų182149.9 Ų149.985%0.8580%0.795SS**  166.1140.8120.1-90165.5-3.300109.4
74D35.5Very low35Very low150 Ų150150 Ų15080%0.80280%0.795SS**  trans74.284.5-177-66.5-8.6000116.9V76D74-V76 PolarHBondContact O-N 3.26Å
75G39.9Very low34.9Very low90 Ų90154.7 Ų154.793%0.92880%0.798SS**  trans-65.563168.100000113.7
76V36.6Very low35.1Very low101 Ų101154.2 Ų154.261%0.61280%0.798SS**  trans-125.4102.3172.7-176.50000109.5D74 R78D74-V76 PolarHBondContact O-N 3.26Å; V76-R78 HydrophobicContact CG1-CG 4.16Å; V76-R78 PolarHBondContact O-N 3.1Å
77S37Very low35.2Very low128 Ų128152.2 Ų152.290%0.89579%0.79SS**  trans-74.2103.1172.3-56.70000110.1
78R44.2Very low35.1Very low231 Ų231150.8 Ų150.887%0.87279%0.785SS**  trans-89.8114.3173.2-70-178.8176.5151.21.1110.5V76V76-R78 HydrophobicContact CG1-CG 4.16Å; V76-R78 PolarHBondContact O-N 3.1Å
79K38Very low35.4Very low194 Ų194147.6 Ų147.684%0.84378%0.782SS**  trans-87.6116.3172.4-166.3171.7-176174.30109.7
80Y47.5Very low35.3Very low196 Ų196150 Ų15077%0.76979%0.785SS**  trans-75124.3171.8-179.4-99.5000109.8P82Y80-P82 HydrophobicContact CD1-CG 4.46Å; Y80-P82 HydrophobicContact CE1-CB 4.35Å; Y80-P82 HydrophobicContact CE1-CG 4.32Å
81I36.6Very low35.8Very low139 Ų139148.6 Ų148.671%0.71379%0.792SS**  trans-104.4114175.1-57.9171.7000107.3
82P39.3Very low35.9Very low89 Ų89144.7 Ų144.758%0.57878%0.782SS**PPolyproline II helixtrans-69.9142.7170-2.517.5000109.4Y80 A84Y80-P82 HydrophobicContact CD1-CG 4.46Å; Y80-P82 HydrophobicContact CE1-CB 4.35Å; Y80-P82 HydrophobicContact CE1-CG 4.32Å; P82-A84 PolarHBondContact O-N 3.49Å
83P37.1Very low35.9Very low112 Ų112143.9 Ų143.973%0.72779%0.786SS**PPolyproline II helixtrans-62.2131.4173.724.1-30.5000110.1R85P83-R85 PolarHBondContact O-N 3.49Å; P83-R85 VanDerWaalsContact O-N 3.15Å
84A31.7Very low35.6Very low95 Ų95141 Ų14179%0.78579%0.786SS**PPolyproline II helixtrans-57.1118.8171.200000108.8P82 M86P82-A84 PolarHBondContact O-N 3.49Å; A84-M86 PolarHBondContact O-N 2.89Å
85R31.4Very low35.4Very low218 Ų218141.8 Ų141.882%0.82378%0.783SS**  trans-62.8106.4169.5-84.2-178.1176.7170.2-0.9107.6P83 M87P83-R85 PolarHBondContact O-N 3.49Å; P83-R85 VanDerWaalsContact O-N 3.15Å; R85-M87 HydrophobicContact CB-CE 4.06Å; R85-M87 PolarHBondContact O-N 3.2Å; R85-M87 VanDerWaalsContact O-N 3.1Å
86M31Very low35.3Very low175 Ų175143.3 Ų143.386%0.86277%0.774SS**  trans-59.1111.9157.7-68.2-161.8150.900107.3A84 S88A84-M86 PolarHBondContact O-N 2.89Å; M86-S88 PolarHBondContact O-N 3.28Å
87M27.5Very low35.2Very low149 Ų149144.2 Ų144.273%0.73478%0.775SS**  trans-6799.4159.5-68.4-60.5146.300105.5R85 T89R85-M87 HydrophobicContact CB-CE 4.06Å; R85-M87 PolarHBondContact O-N 3.2Å; R85-M87 VanDerWaalsContact O-N 3.1Å; M87-T89 VanDerWaalsContact C-N 3.35Å; M87-T89 PolarHBondContact O-N 2.96Å
88S27.9Very low35.3Very low104 Ų104146 Ų14673%0.72777%0.773SS**  trans-57.1103.3166.1-69.70000106.8M86 E90M86-S88 PolarHBondContact O-N 3.28Å; S88-E90 PolarHBondContact O-N 2.95Å
89T33.1Very low34.7Very low127 Ų127137.7 Ų137.778%0.77976%0.759SS**  trans-7085.915547.30000105.5M87 S91M87-T89 VanDerWaalsContact C-N 3.35Å; M87-T89 PolarHBondContact O-N 2.96Å; T89-S91 VanDerWaalsContact C-N 3.33Å; T89-S91 PolarHBondContact O-N 3.49Å
90E28.5Very low34.8Very low178 Ų178137 Ų13783%0.83277%0.765SS**  trans-52.3107.7165.4-82.3-173.4157.800107.1S88 A92S88-E90 PolarHBondContact O-N 2.95Å; E90-A92 VanDerWaalsContact C-N 3.33Å; E90-A92 PolarHBondContact O-N 3.19Å
91S42.1Very low34.2Very low126 Ų126132.5 Ų132.588%0.88177%0.767SS**  trans-63.596.6172.5-63.30000107.5T89T89-S91 VanDerWaalsContact C-N 3.33Å; T89-S91 PolarHBondContact O-N 3.49Å
92A32Very low34.1Very low79 Ų79131.2 Ų131.265%0.65377%0.771SS**  trans-120.6107.6165.400000108.4E90E90-A92 VanDerWaalsContact C-N 3.33Å; E90-A92 PolarHBondContact O-N 3.19Å
93N38.8Very low34.1Very low159 Ų159134.3 Ų134.385%0.8578%0.783SS**  trans77.779.8158.4-50.8-23.7000117.3
94S30.8Very low33.9Very low121 Ų121131.1 Ų131.185%0.84677%0.771SS**  trans-113.277.1143.6-174.70000109.2
95F32.4Very low34.1Very low167 Ų167128.8 Ų128.873%0.73276%0.756SS**  trans-77.2114.8165.4178.6-100.9000108.2L97F95-L97 HydrophobicContact CD1-CB 4.24Å; F95-L97 HydrophobicContact CD1-CD1 4.04Å; F95-L97 HydrophobicContact CD1-CG 4.32Å; F95-L97 HydrophobicContact CE1-CB 4.23Å; F95-L97 HydrophobicContact CE1-CD1 3.66Å; F95-L97 HydrophobicContact CE1-CG 3.86Å; F95-L97 PolarHBondContact O-N 3.49Å; F95-L97 VanDerWaalsContact O-N 3.14Å
96T37.6Very low34.9Very low122 Ų122125 Ų12575%0.74876%0.757SS**  trans-74.898.5179.7-26.50000109.7
97L35.6Very low35.6Very low120 Ų120124.5 Ų124.563%0.62875%0.754SS**  trans-94.5101.9172.6-138.4153000108.7F95F95-L97 HydrophobicContact CD1-CB 4.24Å; F95-L97 HydrophobicContact CD1-CD1 4.04Å; F95-L97 HydrophobicContact CD1-CG 4.32Å; F95-L97 HydrophobicContact CE1-CB 4.23Å; F95-L97 HydrophobicContact CE1-CD1 3.66Å; F95-L97 HydrophobicContact CE1-CG 3.86Å; F95-L97 PolarHBondContact O-N 3.49Å; F95-L97 VanDerWaalsContact O-N 3.14Å
98I37.9Very low36.6Very low166 Ų166124.1 Ų124.185%0.85175%0.751SS**  trans-75.1114.9165.3-64.7171.5000106.3
99G32.1Very low38Very low56 Ų56122 Ų12258%0.57773%0.732SS**  trans177.8109.8176.400000111.7A101G99-A101 PolarHBondContact O-N 3.27Å
100D40.3Very low39.2Very low180 Ų180120.9 Ų120.996%0.96372%0.72SS**  trans-52.3128164.9-85.9-35.9000110.4
101A33.7Very low40.6Very low100 Ų100116.2 Ų116.283%0.82671%0.707SS**  trans-135100.1166.200000109.6G99G99-A101 PolarHBondContact O-N 3.27Å
102S34.8Very low41.6Very low113 Ų113118 Ų11879%0.7970%0.695SS**  trans-38.1136.8161169.80000114.3
103D40.7Very low43.1Very low153 Ų153119.7 Ų119.782%0.81868%0.684SS**  trans25.8107.5144.9-149.920000118.9
104G32.5Very low44.3Very low46 Ų46114.6 Ų114.647%0.47466%0.656SS.*  trans-166.8115.7169.100000111.7
105G36.3Very low46Very low46 Ų46115.3 Ų115.347%0.47464%0.644SS.*  trans74.1104.2163.400000117M107 E108G105-M107 PolarHBondContact O-N 3.44Å; G105-E108 PolarHBondContact O-N 3.37Å; G105-E108 VanDerWaalsContact O-N 3.11Å
106T48.4Very low47.6Very low139 Ų139109.4 Ų109.485%0.85362%0.622SS**Hα-helixtrans-51.2-21.3172.422.30000114.8
107M45.1Very low48.9Very low163 Ų163104.2 Ų104.280%0.80359%0.59SS**Hα-helixtrans-85.3-33.2179.9-166166.7165.100113.8G105 S111G105-M107 PolarHBondContact O-N 3.44Å; M107-S111 PolarHBondContact O-N 2.95Å
108E47.8Very low50.4Low141 Ų141100.8 Ų100.866%0.65958%0.576SS**Hα-helixtrans-73.3-33.9177.6-68.3-173.3175.500111.7G105 R112G105-E108 PolarHBondContact O-N 3.37Å; G105-E108 VanDerWaalsContact O-N 3.11Å; E108-R112 WeakPolarHBondContact O-CB 3.38Å; E108-R112 PolarHBondContact O-N 2.85Å
109N57.5Low51.8Low61 Ų6196.3 Ų96.333%0.32655%0.554SS.*Hα-helixtrans-66.8-40.1173.8-82.9-46.5000112.5R113N109-R113 VanDerWaalsContact O-CB 3.3Å; N109-R113 WeakPolarHBondContact O-CB 3.12Å; N109-R113 WeakPolarHBondContact O-CD 3.44Å; N109-R113 WeakPolarHBondContact O-CG 3.12Å; N109-R113 PolarHBondContact O-N 2.88Å
110L58.3Low53.6Low102 Ų10294.8 Ų94.853%0.53453%0.533SS..Hα-helixtrans-68-43.3177-16781.1000111.5R113 L114L110-R113 PolarHBondContact O-N 2.96Å; L110-L114 HydrophobicContact CD2-CD1 4.33Å; L110-L114 HydrophobicContact CG-CD1 4.12Å; L110-L114 HydrophobicContact CG-CG 4.5Å; L110-L114 WeakPolarHBondContact O-CB 3.45Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 2.77Å
111S58.6Low55.1Low80 Ų8087 Ų8756%0.55949%0.49SS*.Hα-helixtrans-66.4-39.4179.4-1720000112.4M107 K115M107-S111 PolarHBondContact O-N 2.95Å; S111-K115 WeakPolarHBondContact O-CB 3.3Å; S111-K115 PolarHBondContact O-N 3.35Å; S111-K115 VanDerWaalsContact O-N 3.09Å
112R62.3Low56.9Low164 Ų16487.2 Ų87.262%0.61948%0.477SS*.Hα-helixtrans-65.9-40.2173.5-170.5-176.2-68.1177.60.9111.1E108 K115 V116E108-R112 WeakPolarHBondContact O-CB 3.38Å; E108-R112 PolarHBondContact O-N 2.85Å; R112-K115 PolarHBondContact O-N 3.29Å; R112-V116 HydrophobicContact CG-CG2 4.48Å; R112-V116 WeakPolarHBondContact O-CB 3.35Å; R112-V116 WeakPolarHBondContact O-CG2 3.36Å; R112-V116 PolarHBondContact O-N 3.38Å
113R63.5Low58.5Low115 Ų11584.7 Ų84.743%0.43445%0.454SS..Hα-helixtrans-63.7-49.2177.3-74.4165.3-168.5-1701112.3N109 L110 K115 V116 T117N109-R113 VanDerWaalsContact O-CB 3.3Å; N109-R113 WeakPolarHBondContact O-CB 3.12Å; N109-R113 WeakPolarHBondContact O-CD 3.44Å; N109-R113 WeakPolarHBondContact O-CG 3.12Å; N109-R113 PolarHBondContact O-N 2.88Å; L110-R113 PolarHBondContact O-N 2.96Å; R113-K115 VanDerWaalsContact C-N 3.28Å; R113-K115 PolarHBondContact O-N 3.43Å; R113-V116 PolarHBondContact O-N 2.66Å; R113-T117 WeakPolarHBondContact O-CG2 3.31Å; R113-T117 PolarHBondContact O-N 3.2Å; R113-T117 PolarHBondContact O-OG1 2.89Å; R113-T117 VanDerWaalsContact O-OG1 3.07Å
114L64.5Low59.7Low51 Ų5181.3 Ų81.327%0.26744%0.435SS..Hα-helixtrans-61-39.1177.8-72.5170000111.8V13 F15 L110 T117 S118V13-L114 HydrophobicContact CB-CD1 4.46Å; V13-L114 HydrophobicContact CB-CD2 4.27Å; V13-L114 HydrophobicContact CG1-CD2 4.12Å; V13-L114 HydrophobicContact CG2-CD1 4.14Å; F15-L114 HydrophobicContact CE2-CD2 3.69Å; F15-L114 HydrophobicContact CZ-CD2 3.64Å; L110-L114 HydrophobicContact CD2-CD1 4.33Å; L110-L114 HydrophobicContact CG-CD1 4.12Å; L110-L114 HydrophobicContact CG-CG 4.5Å; L110-L114 WeakPolarHBondContact O-CB 3.45Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 2.77Å; L114-T117 WeakPolarHBondContact CA-OG1 3.35Å; L114-T117 PolarHBondContact O-OG1 3.43Å; L114-S118 VanDerWaalsContact O-CB 3.29Å; L114-S118 WeakPolarHBondContact O-CB 3.41Å; L114-S118 PolarHBondContact O-N 3Å
115K65.5Low61.6Low137 Ų13780.1 Ų80.160%0.59642%0.419SS*.Hα-helixtrans-65.5-46.5175.7-168.4172.4-177.9178.40111.6S111 R112 R113 T117 S118 D119S111-K115 WeakPolarHBondContact O-CB 3.3Å; S111-K115 PolarHBondContact O-N 3.35Å; S111-K115 VanDerWaalsContact O-N 3.09Å; R112-K115 PolarHBondContact O-N 3.29Å; R113-K115 VanDerWaalsContact C-N 3.28Å; R113-K115 PolarHBondContact O-N 3.43Å; K115-T117 PolarHBondContact O-N 3.19Å; K115-S118 PolarHBondContact O-N 2.96Å; K115-D119 WeakPolarHBondContact O-CB 3.34Å; K115-D119 PolarHBondContact O-N 3.27Å
116V66.1Low63.1Low42 Ų4281.2 Ų81.226%0.25543%0.43SS..Hα-helixtrans-63.4-40.9177.4170.10000112I38 R112 R113 D119 L120I38-V116 HydrophobicContact CD1-CG1 3.85Å; I38-V116 HydrophobicContact CG1-CG1 4.46Å; R112-V116 HydrophobicContact CG-CG2 4.48Å; R112-V116 WeakPolarHBondContact O-CB 3.35Å; R112-V116 WeakPolarHBondContact O-CG2 3.36Å; R112-V116 PolarHBondContact O-N 3.38Å; R113-V116 PolarHBondContact O-N 2.66Å; V116-D119 PolarHBondContact O-N 3.23Å; V116-L120 VanDerWaalsContact O-CB 3.31Å; V116-L120 WeakPolarHBondContact O-CB 3.29Å; V116-L120 PolarHBondContact O-N 3.3Å
117T66.4Low63.8Low13 Ų1379.9 Ų79.98%0.0841%0.414CS..Hα-helixtrans-69.2-35.3176.552.30000112.3F15 F30 R113 L114 K115 L120 F121F15-T117 WeakPolarHBondContact CZ-OG1 3.37Å; F30-T117 HydrophobicContact CD1-CG2 4.41Å; R113-T117 WeakPolarHBondContact O-CG2 3.31Å; R113-T117 PolarHBondContact O-N 3.2Å; R113-T117 PolarHBondContact O-OG1 2.89Å; R113-T117 VanDerWaalsContact O-OG1 3.07Å; L114-T117 WeakPolarHBondContact CA-OG1 3.35Å; L114-T117 PolarHBondContact O-OG1 3.43Å; K115-T117 PolarHBondContact O-N 3.19Å; T117-L120 PolarHBondContact O-N 3.28Å; T117-F121 WeakPolarHBondContact O-CD2 3.18Å; T117-F121 WeakPolarHBondContact O-CG 3.32Å; T117-F121 PolarHBondContact O-N 3.1Å; T117-F121 VanDerWaalsContact O-N 3.1Å
118S67.2Low64.8Low49 Ų4975.1 Ų75.134%0.34339%0.394SS..Hα-helixtrans-65.6-48.8173-1680000110.8L114 K115 L120 F121 D122L114-S118 VanDerWaalsContact O-CB 3.29Å; L114-S118 WeakPolarHBondContact O-CB 3.41Å; L114-S118 PolarHBondContact O-N 3Å; K115-S118 PolarHBondContact O-N 2.96Å; S118-L120 PolarHBondContact O-N 3.1Å; S118-F121 PolarHBondContact O-N 2.81Å; S118-D122 PolarHBondContact O-N 2.85Å
119D67.1Low65.5Low72 Ų7277.1 Ų77.139%0.38541%0.41SS..Hα-helixtrans-59.6-36.2178.2-65.1-15.8000110.5K115 V116 D122 I123K115-D119 WeakPolarHBondContact O-CB 3.34Å; K115-D119 PolarHBondContact O-N 3.27Å; V116-D119 PolarHBondContact O-N 3.23Å; D119-D122 PolarHBondContact O-N 2.94Å; D119-I123 WeakPolarHBondContact O-CB 3.16Å; D119-I123 WeakPolarHBondContact O-CD1 3.32Å; D119-I123 WeakPolarHBondContact O-CG1 3.32Å; D119-I123 PolarHBondContact O-N 3.49Å
120L70.1Confident66.2Low24 Ų2476.3 Ų76.313%0.12641%0.407CS..Hα-helixtrans-71.3-39.9178.5-159.9143.1000112.5L41 V116 T117 S118 I123 M124L41-L120 HydrophobicContact CD1-CD1 4.41Å; V116-L120 VanDerWaalsContact O-CB 3.31Å; V116-L120 WeakPolarHBondContact O-CB 3.29Å; V116-L120 PolarHBondContact O-N 3.3Å; T117-L120 PolarHBondContact O-N 3.28Å; S118-L120 PolarHBondContact O-N 3.1Å; L120-I123 PolarHBondContact O-N 3.33Å; L120-M124 HydrophobicContact CD2-CG 4.35Å; L120-M124 HydrophobicContact CD2-SD 3.71Å; L120-M124 VanDerWaalsContact O-CG 3.32Å; L120-M124 WeakPolarHBondContact O-CG 3.37Å; L120-M124 PolarHBondContact O-N 3.02Å
121F71.9Confident66.9Low17 Ų1776.4 Ų76.48%0.07541%0.408CS..Hα-helixtrans-68.2-36.8172.9-64.8-38000112.4F15 L26 T117 S118 I123 M124 S125 P133F15-F121 HydrophobicContact CD1-CD2 4.2Å; F15-F121 AromaticContact CD1-CE2 3.92Å; F15-F121 HydrophobicContact CD1-CE2 3.92Å; F15-F121 HydrophobicContact CE1-CD2 4.37Å; F15-F121 HydrophobicContact CE1-CE2 4.21Å; F15-F121 HydrophobicContact CG-CE2 4.27Å; L26-F121 HydrophobicContact CD2-CE2 4.33Å; L26-F121 HydrophobicContact CD2-CZ 3.83Å; T117-F121 WeakPolarHBondContact O-CD2 3.18Å; T117-F121 WeakPolarHBondContact O-CG 3.32Å; T117-F121 PolarHBondContact O-N 3.1Å; T117-F121 VanDerWaalsContact O-N 3.1Å; S118-F121 PolarHBondContact O-N 2.81Å; F121-I123 VanDerWaalsContact C-N 3.35Å; F121-M124 PolarHBondContact O-N 3.48Å; F121-S125 WeakPolarHBondContact O-CB 3.16Å; F121-S125 PolarHBondContact O-N 2.8Å; F121-S125 PolarHBondContact O-OG 3.08Å; F121-P133 HydrophobicContact CD1-CB 3.8Å; F121-P133 HydrophobicContact CD1-CG 4.33Å; F121-P133 HydrophobicContact CD2-CB 4.21Å; F121-P133 HydrophobicContact CD2-CG 3.87Å; F121-P133 HydrophobicContact CE1-CB 3.61Å; F121-P133 HydrophobicContact CE1-CG 4.31Å; F121-P133 HydrophobicContact CE2-CB 4.01Å; F121-P133 HydrophobicContact CE2-CG 3.82Å; F121-P133 HydrophobicContact CG-CB 4.12Å; F121-P133 HydrophobicContact CG-CG 4.14Å; F121-P133 HydrophobicContact CZ-CB 3.72Å; F121-P133 HydrophobicContact CZ-CG 4.06Å
122D69.8Low67.5Low104 Ų10474 Ų7456%0.55639%0.388SS*.Hα-helixtrans-65.3-39174.7-73.4-19.3000111.4S118 D119 G126S118-D122 PolarHBondContact O-N 2.85Å; D119-D122 PolarHBondContact O-N 2.94Å; D122-G126 PolarHBondContact O-N 3.36Å
123I70.1Confident68Low59 Ų5966.8 Ų66.830%0.30336%0.362SS..Hα-helixtrans-68.2-43.1176.4-69.5165.1000111.3I42 D119 L120 F121 G126 Q127I42-I123 HydrophobicContact CD1-CD1 4.12Å; I42-I123 HydrophobicContact CG1-CD1 3.84Å; I42-I123 HydrophobicContact CG2-CD1 4.18Å; D119-I123 WeakPolarHBondContact O-CB 3.16Å; D119-I123 WeakPolarHBondContact O-CD1 3.32Å; D119-I123 WeakPolarHBondContact O-CG1 3.32Å; D119-I123 PolarHBondContact O-N 3.49Å; L120-I123 PolarHBondContact O-N 3.33Å; F121-I123 VanDerWaalsContact C-N 3.35Å; I123-G126 PolarHBondContact O-N 2.84Å; I123-Q127 PolarHBondContact O-N 3.09Å
124M65.8Low68.5Low83 Ų8362.2 Ų62.241%0.40935%0.346SS..Hα-helixtrans-63.8-43.3176.1-71-178.570.300111.5L120 F121 G126 Q127 T128 H132L120-M124 HydrophobicContact CD2-CG 4.35Å; L120-M124 HydrophobicContact CD2-SD 3.71Å; L120-M124 VanDerWaalsContact O-CG 3.32Å; L120-M124 WeakPolarHBondContact O-CG 3.37Å; L120-M124 PolarHBondContact O-N 3.02Å; F121-M124 PolarHBondContact O-N 3.48Å; M124-G126 PolarHBondContact O-N 3.24Å; M124-Q127 PolarHBondContact O-N 3.19Å; M124-T128 PolarHBondContact O-N 3.37Å; M124-T128 PolarHBondContact O-OG1 2.98Å; M124-H132 HydrophobicContact CB-CB 4.12Å
125S71.3Confident69.2Low21 Ų2160.5 Ų60.515%0.14734%0.339CS..Hα-helixtrans-64.1-29.2173.7-50.60000112.6F121 Q127 H132F121-S125 WeakPolarHBondContact O-CB 3.16Å; F121-S125 PolarHBondContact O-N 2.8Å; F121-S125 PolarHBondContact O-OG 3.08Å; S125-Q127 VanDerWaalsContact C-N 3.32Å; S125-H132 PolarHBondContact OG-N 3.15Å; S125-H132 PolarHBondContact OG-O 3.29Å
126G67.5Low69.9Low69 Ų6961.6 Ų61.671%0.71135%0.346SS*.Hα-helixtrans-75.5-16.5176.400000114.6D122 I123 M124D122-G126 PolarHBondContact O-N 3.36Å; I123-G126 PolarHBondContact O-N 2.84Å; M124-G126 PolarHBondContact O-N 3.24Å
127Q64.8Low70.6Confident110 Ų11066.2 Ų66.251%0.51436%0.364SS..Hα-helixtrans-107.7-9.8-179-67.1-164100114I123 M124 S125I123-Q127 PolarHBondContact O-N 3.09Å; M124-Q127 PolarHBondContact O-N 3.19Å; S125-Q127 VanDerWaalsContact C-N 3.32Å
128T64.6Low71.2Confident63 Ų6366.1 Ų66.139%0.38736%0.364SS..SBendtrans-128.6146.6177.1600000110M124 V130 H132M124-T128 PolarHBondContact O-N 3.37Å; M124-T128 PolarHBondContact O-OG1 2.98Å; T128-V130 PolarHBondContact O-N 3.35Å; T128-V130 PolarHBondContact OG1-O 3Å; T128-V130 VanDerWaalsContact OG1-O 3.09Å; T128-H132 PolarHBondContact OG1-CE1 3.1Å; T128-H132 PolarHBondContact OG1-ND1 2.91Å
129D63.3Low71.9Confident184 Ų18466.3 Ų66.398%0.98436%0.364SS*.SBendtrans-67.16.7178.4-66.6-32.2000114.6
130V72.1Confident72.7Confident44 Ų4466.8 Ų66.827%0.26737%0.366SS..SBendtrans-122.9129.6179.6-173.20000110.2T128 H132 L134 L142T128-V130 PolarHBondContact O-N 3.35Å; T128-V130 PolarHBondContact OG1-O 3Å; T128-V130 VanDerWaalsContact OG1-O 3.09Å; V130-H132 PolarHBondContact O-CE1 2.89Å; V130-H132 PolarHBondContact O-N 3.44Å; V130-H132 PolarHBondContact O-ND1 3.27Å; V130-L134 HydrophobicContact CG1-CD1 3.86Å; V130-L134 HydrophobicContact CG1-CD2 4.05Å; V130-L134 HydrophobicContact CG1-CG 4.44Å; V130-L142 HydrophobicContact CB-CD2 4.37Å; V130-L142 HydrophobicContact CG2-CD1 3.86Å; V130-L142 HydrophobicContact CG2-CD2 4.28Å
131D72.1Confident73.4Confident104 Ų10468.7 Ų68.756%0.55638%0.379SS*.PPolyproline II helixtrans-68129.1177.2-63.8-44.9000111Q18Q18-D131 HydrophobicContact CB-CB 3.84Å; Q18-D131 WeakPolarHBondContact CB-O 3.25Å; Q18-D131 HydrophobicContact CG-CB 4.05Å
132H71.6Confident73.9Confident29 Ų2969.1 Ų69.113%0.13438%0.382CS..SBendtrans-102.1151.6177.1-71.574.7000109.6M124 S125 T128 V130M124-H132 HydrophobicContact CB-CB 4.12Å; S125-H132 PolarHBondContact OG-N 3.15Å; S125-H132 PolarHBondContact OG-O 3.29Å; T128-H132 PolarHBondContact OG1-CE1 3.1Å; T128-H132 PolarHBondContact OG1-ND1 2.91Å; V130-H132 PolarHBondContact O-CE1 2.89Å; V130-H132 PolarHBondContact O-N 3.44Å; V130-H132 PolarHBondContact O-ND1 3.27Å
133P72.8Confident74.6Confident12 Ų1268.5 Ų68.58%0.07838%0.378CS..PPolyproline II helixcis-85.4150.49.332-34.5000114.2C17 Q18 L24 F121C17-P133 CarbonylContact C-O 3.55Å; C17-P133 VanDerWaalsContact CA-O 3.25Å; C17-P133 WeakPolarHBondContact CA-O 3.44Å; Q18-P133 PolarHBondContact N-O 3.4Å; L24-P133 HydrophobicContact CD1-CB 3.51Å; L24-P133 HydrophobicContact CD1-CG 3.42Å; L24-P133 VanDerWaalsContact CD1-CG 3.42Å; F121-P133 HydrophobicContact CD1-CB 3.8Å; F121-P133 HydrophobicContact CD1-CG 4.33Å; F121-P133 HydrophobicContact CD2-CB 4.21Å; F121-P133 HydrophobicContact CD2-CG 3.87Å; F121-P133 HydrophobicContact CE1-CB 3.61Å; F121-P133 HydrophobicContact CE1-CG 4.31Å; F121-P133 HydrophobicContact CE2-CB 4.01Å; F121-P133 HydrophobicContact CE2-CG 3.82Å; F121-P133 HydrophobicContact CG-CB 4.12Å; F121-P133 HydrophobicContact CG-CG 4.14Å; F121-P133 HydrophobicContact CZ-CB 3.72Å; F121-P133 HydrophobicContact CZ-CG 4.06Å
134L74.8Confident75.4Confident20 Ų2070.7 Ų70.711%0.10539%0.39CS..  trans-107.8150172.9-62.1171.3000110R19 V130 C138 L142R19-L134 HydrophobicContact CB-CD2 3.6Å; V130-L134 HydrophobicContact CG1-CD1 3.86Å; V130-L134 HydrophobicContact CG1-CD2 4.05Å; V130-L134 HydrophobicContact CG1-CG 4.44Å; L134-C138 HydrophobicContact CB-CB 4.1Å; L134-C138 HydrophobicContact CD2-CB 4.21Å; L134-L142 HydrophobicContact CD1-CD2 3.69Å
135C78.8Confident76.2Confident15 Ų1571.1 Ų71.110%0.10139%0.391CS..  trans-78.7162.3168.267.30000110.7C17 L24 E137 C138 T139C17-C135 HydrophobicContact CB-CB 4.13Å; C17-C135 PolarHBondContact SG-N 3.17Å; L24-C135 HydrophobicContact CD2-CB 3.53Å; C135-E137 VanDerWaalsContact C-N 3.33Å; C135-E137 PolarHBondContact O-N 3.11Å; C135-C138 CarbonylContact O-C 3.42Å; C135-C138 WeakPolarHBondContact O-CA 3.46Å; C135-C138 WeakPolarHBondContact O-CB 3.42Å; C135-C138 PolarHBondContact O-N 3.07Å; C135-C138 VanDerWaalsContact SG-CB 3.6Å; C135-C138 PolarHBondContact SG-SG 3.08Å; C135-T139 PolarHBondContact O-N 3.15Å; C135-T139 PolarHBondContact O-OG1 2.89Å; C135-T139 VanDerWaalsContact O-OG1 3.08Å
136E80Confident76.8Confident160 Ų16073.8 Ų73.875%0.74840%0.403SS*.Hα-helixtrans-46.1-52.3178.6-171.9175.5-179.100112.6C138 T139 D140E136-C138 VanDerWaalsContact C-N 3.3Å; E136-C138 PolarHBondContact O-N 3.48Å; E136-T139 WeakPolarHBondContact O-CB 3.49Å; E136-T139 PolarHBondContact O-N 2.86Å; E136-T139 VanDerWaalsContact O-N 3.1Å; E136-D140 PolarHBondContact O-N 3.21Å
137E80.9Confident77.8Confident138 Ų13875.3 Ų75.365%0.64540%0.395SS*.Hα-helixtrans-61.8-34.6177.8-59.2179.5175.400113.4C135 T141C135-E137 VanDerWaalsContact C-N 3.33Å; C135-E137 PolarHBondContact O-N 3.11Å; E137-T141 WeakPolarHBondContact O-CG2 3.47Å; E137-T141 PolarHBondContact O-N 3.43Å; E137-T141 VanDerWaalsContact O-N 3.15Å; E137-T141 PolarHBondContact O-OG1 2.84Å
138C80.2Confident78.9Confident12 Ų1273.7 Ų73.78%0.08139%0.393CS..Hα-helixtrans-76.7-27.6177.4-75.20000112.7R19 L134 C135 E136 T141 L142R19-C138 HydrophobicContact CB-CB 4.32Å; R19-C138 PolarHBondContact NH1-O 2.88Å; L134-C138 HydrophobicContact CB-CB 4.1Å; L134-C138 HydrophobicContact CD2-CB 4.21Å; C135-C138 CarbonylContact O-C 3.42Å; C135-C138 WeakPolarHBondContact O-CA 3.46Å; C135-C138 WeakPolarHBondContact O-CB 3.42Å; C135-C138 PolarHBondContact O-N 3.07Å; C135-C138 VanDerWaalsContact SG-CB 3.6Å; C135-C138 PolarHBondContact SG-SG 3.08Å; E136-C138 VanDerWaalsContact C-N 3.3Å; E136-C138 PolarHBondContact O-N 3.48Å; C138-T141 WeakPolarHBondContact CA-OG1 3.38Å; C138-T141 PolarHBondContact O-OG1 3.36Å; C138-T141 VanDerWaalsContact O-OG1 3.11Å; C138-L142 WeakPolarHBondContact O-CB 3.33Å; C138-L142 PolarHBondContact O-N 2.85Å
139T81.3Confident79.9Confident53 Ų5375.2 Ų75.233%0.32540%0.395SS..Hα-helixtrans-75.1-43.8173.7-53.40000110.3C135 E136 T141 L142 L143C135-T139 PolarHBondContact O-N 3.15Å; C135-T139 PolarHBondContact O-OG1 2.89Å; C135-T139 VanDerWaalsContact O-OG1 3.08Å; E136-T139 WeakPolarHBondContact O-CB 3.49Å; E136-T139 PolarHBondContact O-N 2.86Å; E136-T139 VanDerWaalsContact O-N 3.1Å; T139-T141 PolarHBondContact O-N 3.22Å; T139-L142 CarbonylContact O-C 3.54Å; T139-L142 WeakPolarHBondContact O-CA 3.39Å; T139-L142 WeakPolarHBondContact O-CB 3.39Å; T139-L142 PolarHBondContact O-N 3.28Å; T139-L143 HydrophobicContact CG2-CD1 4.33Å; T139-L143 WeakPolarHBondContact O-CG 3.48Å; T139-L143 PolarHBondContact O-N 3.31Å
140D84.4Confident81.1Confident81 Ų8171.4 Ų71.443%0.43338%0.375SS..Hα-helixtrans-61.3-46176.5-68.8-19.9000111.2E136 L142 L143 D144E136-D140 PolarHBondContact O-N 3.21Å; D140-L142 PolarHBondContact O-N 2.86Å; D140-L143 PolarHBondContact O-N 3.17Å; D140-D144 PolarHBondContact O-N 3.01Å
141T83.4Confident82.1Confident65 Ų6574.6 Ų74.640%0.39939%0.39SS..Hα-helixtrans-65.6-24.7174.748.70000113.6R19 E137 C138 T139 H145R19-T141 PolarHBondContact NH1-OG1 3.33Å; E137-T141 WeakPolarHBondContact O-CG2 3.47Å; E137-T141 PolarHBondContact O-N 3.43Å; E137-T141 VanDerWaalsContact O-N 3.15Å; E137-T141 PolarHBondContact O-OG1 2.84Å; C138-T141 WeakPolarHBondContact CA-OG1 3.38Å; C138-T141 PolarHBondContact O-OG1 3.36Å; C138-T141 VanDerWaalsContact O-OG1 3.11Å; T139-T141 PolarHBondContact O-N 3.22Å; T141-H145 WeakPolarHBondContact O-CB 3.39Å; T141-H145 PolarHBondContact O-N 3.2Å
142L82.7Confident83Confident26 Ų2674.2 Ų74.214%0.13639%0.387CS..Hα-helixtrans-76.2-42172.2178.561.8000111V130 L134 C138 T139 D140 H145 L146V130-L142 HydrophobicContact CB-CD2 4.37Å; V130-L142 HydrophobicContact CG2-CD1 3.86Å; V130-L142 HydrophobicContact CG2-CD2 4.28Å; L134-L142 HydrophobicContact CD1-CD2 3.69Å; C138-L142 WeakPolarHBondContact O-CB 3.33Å; C138-L142 PolarHBondContact O-N 2.85Å; T139-L142 CarbonylContact O-C 3.54Å; T139-L142 WeakPolarHBondContact O-CA 3.39Å; T139-L142 WeakPolarHBondContact O-CB 3.39Å; T139-L142 PolarHBondContact O-N 3.28Å; D140-L142 PolarHBondContact O-N 2.86Å; L142-H145 WeakPolarHBondContact O-CB 3.43Å; L142-H145 PolarHBondContact O-N 2.83Å; L142-L146 HydrophobicContact CD1-CG 4.41Å; L142-L146 HydrophobicContact CG-CD1 4.2Å; L142-L146 WeakPolarHBondContact O-CG 3.34Å; L142-L146 PolarHBondContact O-N 3.13Å
143L84.6Confident83.8Confident90 Ų9076.1 Ų76.147%0.47140%0.401SS..Hα-helixtrans-62.8-45176.1-70.5172000111.3T139 D140 H145 L146 D147T139-L143 HydrophobicContact CG2-CD1 4.33Å; T139-L143 WeakPolarHBondContact O-CG 3.48Å; T139-L143 PolarHBondContact O-N 3.31Å; D140-L143 PolarHBondContact O-N 3.17Å; L143-H145 VanDerWaalsContact C-N 3.25Å; L143-H145 PolarHBondContact O-N 3.32Å; L143-L146 PolarHBondContact O-N 2.69Å; L143-L146 VanDerWaalsContact O-N 3.13Å; L143-D147 PolarHBondContact O-N 3.4Å
144D86.7Confident84.8Confident105 Ų10581 Ų8156%0.56142%0.422SS*.Hα-helixtrans-57-41.8172.9-76.3-19.8000111.2D140 D147 T148D140-D144 PolarHBondContact O-N 3.01Å; D144-D147 PolarHBondContact O-N 2.97Å; D144-T148 VanDerWaalsContact O-CG2 3.32Å; D144-T148 WeakPolarHBondContact O-CG2 3.46Å; D144-T148 PolarHBondContact O-N 2.8Å; D144-T148 PolarHBondContact O-OG1 3.24Å
145H82.6Confident85.6Confident93 Ų9383.9 Ų83.943%0.43144%0.438SS..Hα-helixtrans-65-44.2176.7-172.563.3000111.9T141 L142 L143 T148 Q149T141-H145 WeakPolarHBondContact O-CB 3.39Å; T141-H145 PolarHBondContact O-N 3.2Å; L142-H145 WeakPolarHBondContact O-CB 3.43Å; L142-H145 PolarHBondContact O-N 2.83Å; L143-H145 VanDerWaalsContact C-N 3.25Å; L143-H145 PolarHBondContact O-N 3.32Å; H145-T148 PolarHBondContact O-N 2.94Å; H145-T148 PolarHBondContact O-OG1 3.24Å; H145-Q149 PolarHBondContact NE2-NE2 3.01Å; H145-Q149 WeakPolarHBondContact O-CG 3.42Å; H145-Q149 PolarHBondContact O-N 3.29Å
146L83.8Confident86.2Confident76 Ų7687.7 Ų87.740%0.39846%0.455SS..Hα-helixtrans-64.4-39.8177.4-70.8172000111.9L142 L143 Q149 L150L142-L146 HydrophobicContact CD1-CG 4.41Å; L142-L146 HydrophobicContact CG-CD1 4.2Å; L142-L146 WeakPolarHBondContact O-CG 3.34Å; L142-L146 PolarHBondContact O-N 3.13Å; L143-L146 PolarHBondContact O-N 2.69Å; L143-L146 VanDerWaalsContact O-N 3.13Å; L146-Q149 PolarHBondContact O-N 2.9Å; L146-L150 WeakPolarHBondContact O-CB 3.32Å; L146-L150 WeakPolarHBondContact O-CG 3.23Å; L146-L150 PolarHBondContact O-N 3.25Å
147D88.9Confident86.6Confident102 Ų10283.3 Ų83.355%0.54544%0.441SS..Hα-helixtrans-64.4-40174.9-80.8-21000111.7L143 D144 L150 N151L143-D147 PolarHBondContact O-N 3.4Å; D144-D147 PolarHBondContact O-N 2.97Å; D147-L150 PolarHBondContact O-N 3.41Å; D147-N151 WeakPolarHBondContact O-CB 3.37Å; D147-N151 PolarHBondContact O-N 3.49Å
148T87.3Confident87.1Confident76 Ų7681.1 Ų81.147%0.46643%0.43SS..Hα-helixtrans-64-41.4173.1610000112D144 H145 N151 I152D144-T148 VanDerWaalsContact O-CG2 3.32Å; D144-T148 WeakPolarHBondContact O-CG2 3.46Å; D144-T148 PolarHBondContact O-N 2.8Å; D144-T148 PolarHBondContact O-OG1 3.24Å; H145-T148 PolarHBondContact O-N 2.94Å; H145-T148 PolarHBondContact O-OG1 3.24Å; T148-N151 PolarHBondContact O-N 3.49Å; T148-I152 WeakPolarHBondContact O-CD1 3.36Å; T148-I152 VanDerWaalsContact O-CG1 3.23Å; T148-I152 WeakPolarHBondContact O-CG1 3.35Å; T148-I152 PolarHBondContact O-N 2.81Å
149Q86Confident87.5Confident94 Ų9484.1 Ų84.144%0.43945%0.446SS..Hα-helixtrans-64.2-43.9175.5-74.1-166.3-9.700111.6H145 L146 N151 I152 T153H145-Q149 PolarHBondContact NE2-NE2 3.01Å; H145-Q149 WeakPolarHBondContact O-CG 3.42Å; H145-Q149 PolarHBondContact O-N 3.29Å; L146-Q149 PolarHBondContact O-N 2.9Å; Q149-N151 VanDerWaalsContact C-N 3.34Å; Q149-N151 PolarHBondContact O-N 3.44Å; Q149-I152 PolarHBondContact O-N 3.25Å; Q149-T153 WeakPolarHBondContact O-CG2 3.46Å; Q149-T153 PolarHBondContact O-N 3.16Å; Q149-T153 PolarHBondContact O-OG1 3.42Å
150L88.4Confident87.8Confident105 Ų10589.2 Ų89.255%0.5546%0.46SS..Hα-helixtrans-58.7-46.9176.4-77.8173.6000111.1L146 D147 I152 T153 E154L146-L150 WeakPolarHBondContact O-CB 3.32Å; L146-L150 WeakPolarHBondContact O-CG 3.23Å; L146-L150 PolarHBondContact O-N 3.25Å; D147-L150 PolarHBondContact O-N 3.41Å; L150-I152 VanDerWaalsContact C-N 3.34Å; L150-I152 PolarHBondContact O-N 2.86Å; L150-T153 WeakPolarHBondContact CA-OG1 3.45Å; L150-T153 PolarHBondContact O-N 3.4Å; L150-T153 PolarHBondContact O-OG1 3.02Å; L150-E154 WeakPolarHBondContact O-CB 3.45Å; L150-E154 PolarHBondContact O-N 2.99Å
151N93Very high88Confident111 Ų11191.6 Ų91.659%0.59447%0.467SS*.Hα-helixtrans-64.2-38.3178.9-165.110.4000112.4D147 T148 Q149 E154 N155D147-N151 WeakPolarHBondContact O-CB 3.37Å; D147-N151 PolarHBondContact O-N 3.49Å; T148-N151 PolarHBondContact O-N 3.49Å; Q149-N151 VanDerWaalsContact C-N 3.34Å; Q149-N151 PolarHBondContact O-N 3.44Å; N151-E154 PolarHBondContact O-N 3.43Å; N151-N155 VanDerWaalsContact O-CB 3.32Å; N151-N155 WeakPolarHBondContact O-CB 3.32Å; N151-N155 PolarHBondContact O-N 2.81Å
152I90.9Very high88.1Confident96 Ų9694 Ų9449%0.49247%0.474SS..Hα-helixtrans-61.6-50.5173.1-68.4163.2000110.2T148 Q149 L150 E154 N155 E156T148-I152 WeakPolarHBondContact O-CD1 3.36Å; T148-I152 VanDerWaalsContact O-CG1 3.23Å; T148-I152 WeakPolarHBondContact O-CG1 3.35Å; T148-I152 PolarHBondContact O-N 2.81Å; Q149-I152 PolarHBondContact O-N 3.25Å; L150-I152 VanDerWaalsContact C-N 3.34Å; L150-I152 PolarHBondContact O-N 2.86Å; I152-E154 VanDerWaalsContact C-N 3.32Å; I152-E154 PolarHBondContact O-N 2.88Å; I152-N155 PolarHBondContact O-N 3.49Å; I152-E156 WeakPolarHBondContact O-CG 3.3Å; I152-E156 PolarHBondContact O-N 3.35Å
153T89.1Confident88.1Confident68 Ų6896.2 Ų96.242%0.41749%0.49SS..Hα-helixtrans-65.2-34.3-179.860.30000112.8Q149 L150 E156 C157Q149-T153 WeakPolarHBondContact O-CG2 3.46Å; Q149-T153 PolarHBondContact O-N 3.16Å; Q149-T153 PolarHBondContact O-OG1 3.42Å; L150-T153 WeakPolarHBondContact CA-OG1 3.45Å; L150-T153 PolarHBondContact O-N 3.4Å; L150-T153 PolarHBondContact O-OG1 3.02Å; T153-E156 PolarHBondContact O-N 3.2Å; T153-C157 WeakPolarHBondContact O-CB 3.4Å; T153-C157 PolarHBondContact O-N 3.45Å; T153-C157 PolarHBondContact O-SG 3.33Å
154E92.3Very high88.1Confident114 Ų11497.4 Ų97.453%0.53350%0.496SS..Hα-helixtrans-68-40.5175.7-172.2169.3-168.400110.9L150 N151 I152 C157 Q158L150-E154 WeakPolarHBondContact O-CB 3.45Å; L150-E154 PolarHBondContact O-N 2.99Å; N151-E154 PolarHBondContact O-N 3.43Å; I152-E154 VanDerWaalsContact C-N 3.32Å; I152-E154 PolarHBondContact O-N 2.88Å; E154-C157 WeakPolarHBondContact O-CB 3.43Å; E154-C157 PolarHBondContact O-N 2.98Å; E154-Q158 VanDerWaalsContact O-CG 3.3Å; E154-Q158 WeakPolarHBondContact O-CG 3.03Å; E154-Q158 PolarHBondContact O-N 3.01Å
155N92.7Very high87.8Confident81 Ų8198.1 Ų98.143%0.43350%0.496SS..Hα-helixtrans-66.2-43.6174.7-166.2-3.1000111.5N151 I152 C157 Q158 N159N151-N155 VanDerWaalsContact O-CB 3.32Å; N151-N155 WeakPolarHBondContact O-CB 3.32Å; N151-N155 PolarHBondContact O-N 2.81Å; I152-N155 PolarHBondContact O-N 3.49Å; N155-C157 PolarHBondContact O-N 2.87Å; N155-Q158 WeakPolarHBondContact O-CB 3.47Å; N155-Q158 PolarHBondContact O-N 3.43Å; N155-Q158 VanDerWaalsContact O-N 3.14Å; N155-N159 VanDerWaalsContact O-CG 3.31Å; N155-N159 PolarHBondContact O-N 3.22Å; N155-N159 PolarHBondContact O-ND2 3.14Å; N155-N159 PolarHBondContact OD1-ND2 2.87Å
156E91.2Very high87.8Confident96 Ų9699.6 Ų99.645%0.44951%0.507SS..Hα-helixtrans-56.9-46.6170.4-71.9176.317400111.7I152 T153 Q158 N159 Y160I152-E156 WeakPolarHBondContact O-CG 3.3Å; I152-E156 PolarHBondContact O-N 3.35Å; T153-E156 PolarHBondContact O-N 3.2Å; E156-Q158 VanDerWaalsContact C-N 3.28Å; E156-Q158 PolarHBondContact O-N 3.26Å; E156-N159 PolarHBondContact O-N 3.46Å; E156-N159 VanDerWaalsContact O-N 3.16Å; E156-Y160 HydrophobicContact CB-CD2 4.5Å; E156-Y160 HydrophobicContact CB-CE2 4.27Å; E156-Y160 WeakPolarHBondContact O-CD2 3.37Å; E156-Y160 PolarHBondContact O-N 2.84Å
157C88.8Confident87.4Confident68 Ų68101.3 Ų101.346%0.45952%0.515SS..Hα-helixtrans-59-39.6174.6-72.40000112.4T153 E154 N155 K161T153-C157 WeakPolarHBondContact O-CB 3.4Å; T153-C157 PolarHBondContact O-N 3.45Å; T153-C157 PolarHBondContact O-SG 3.33Å; E154-C157 WeakPolarHBondContact O-CB 3.43Å; E154-C157 PolarHBondContact O-N 2.98Å; N155-C157 PolarHBondContact O-N 2.87Å; C157-K161 VanDerWaalsContact O-CG 3.29Å; C157-K161 WeakPolarHBondContact O-CG 3.48Å; C157-K161 PolarHBondContact O-N 3.24Å
158Q91Very high86.6Confident91 Ų91100.6 Ų100.643%0.42552%0.519SS..Hα-helixtrans-66.6-41.6175.9-73.41761900111.5E154 N155 E156 K161 Q162E154-Q158 VanDerWaalsContact O-CG 3.3Å; E154-Q158 WeakPolarHBondContact O-CG 3.03Å; E154-Q158 PolarHBondContact O-N 3.01Å; N155-Q158 WeakPolarHBondContact O-CB 3.47Å; N155-Q158 PolarHBondContact O-N 3.43Å; N155-Q158 VanDerWaalsContact O-N 3.14Å; E156-Q158 VanDerWaalsContact C-N 3.28Å; E156-Q158 PolarHBondContact O-N 3.26Å; Q158-K161 WeakPolarHBondContact O-CB 3.48Å; Q158-K161 PolarHBondContact O-N 3.16Å; Q158-Q162 WeakPolarHBondContact O-CG 3.41Å; Q158-Q162 PolarHBondContact O-N 3.2Å
159N88.7Confident85.7Confident75 Ų75103.1 Ų103.140%0.40153%0.529SS..Hα-helixtrans-62.8-44.2175.5-69.8-44.8000111.5N155 E156 K161 Q162 C163N155-N159 VanDerWaalsContact O-CG 3.31Å; N155-N159 PolarHBondContact O-N 3.22Å; N155-N159 PolarHBondContact O-ND2 3.14Å; N155-N159 PolarHBondContact OD1-ND2 2.87Å; E156-N159 PolarHBondContact O-N 3.46Å; E156-N159 VanDerWaalsContact O-N 3.16Å; N159-K161 VanDerWaalsContact C-N 3.33Å; N159-K161 PolarHBondContact O-N 3.36Å; N159-Q162 PolarHBondContact O-N 2.92Å; N159-C163 PolarHBondContact O-N 3.31Å; N159-C163 PolarHBondContact O-SG 2.84Å; N159-C163 VanDerWaalsContact O-SG 3.36Å
160Y87.3Confident84.8Confident160 Ų160103.7 Ų103.763%0.62754%0.535SS*.Hα-helixtrans-61.8-39.8174.6-73.1-60000112.4E156 C163 L164E156-Y160 HydrophobicContact CB-CD2 4.5Å; E156-Y160 HydrophobicContact CB-CE2 4.27Å; E156-Y160 WeakPolarHBondContact O-CD2 3.37Å; E156-Y160 PolarHBondContact O-N 2.84Å; Y160-C163 PolarHBondContact O-N 3.47Å; Y160-L164 WeakPolarHBondContact O-CB 3.29Å; Y160-L164 WeakPolarHBondContact O-CG 3.48Å; Y160-L164 PolarHBondContact O-N 2.78Å
161K87.9Confident83.4Confident132 Ų132107.7 Ų107.757%0.57455%0.551SS**Hα-helixtrans-62-43.8173.7-75.2171.5-176.1174.90111.6C157 Q158 N159 L164 E165C157-K161 VanDerWaalsContact O-CG 3.29Å; C157-K161 WeakPolarHBondContact O-CG 3.48Å; C157-K161 PolarHBondContact O-N 3.24Å; Q158-K161 WeakPolarHBondContact O-CB 3.48Å; Q158-K161 PolarHBondContact O-N 3.16Å; N159-K161 VanDerWaalsContact C-N 3.33Å; N159-K161 PolarHBondContact O-N 3.36Å; K161-L164 PolarHBondContact O-N 3.37Å; K161-E165 WeakPolarHBondContact O-CG 3.35Å; K161-E165 PolarHBondContact O-N 2.86Å
162Q85.9Confident81.9Confident116 Ų116108.8 Ų108.854%0.54256%0.561SS.*Hα-helixtrans-64.2-41.2176.3-71.5173.923.100112Q158 N159 L164 E165 L166Q158-Q162 WeakPolarHBondContact O-CG 3.41Å; Q158-Q162 PolarHBondContact O-N 3.2Å; N159-Q162 PolarHBondContact O-N 2.92Å; Q162-L164 VanDerWaalsContact C-N 3.34Å; Q162-L164 PolarHBondContact O-N 3.25Å; Q162-E165 PolarHBondContact O-N 2.85Å; Q162-L166 WeakPolarHBondContact O-CB 3.46Å; Q162-L166 PolarHBondContact O-N 2.91Å
163C84.1Confident80.5Confident71 Ų71109.9 Ų109.948%0.4856%0.564SS.*Hα-helixtrans-63.1-39173.7-69.20000112N159 Y160 L166 L167N159-C163 PolarHBondContact O-N 3.31Å; N159-C163 PolarHBondContact O-SG 2.84Å; N159-C163 VanDerWaalsContact O-SG 3.36Å; Y160-C163 PolarHBondContact O-N 3.47Å; C163-L166 PolarHBondContact O-N 3.24Å; C163-L167 WeakPolarHBondContact O-CB 3.39Å; C163-L167 VanDerWaalsContact O-CG 3.25Å; C163-L167 WeakPolarHBondContact O-CG 3.36Å; C163-L167 PolarHBondContact O-N 2.73Å
164L83.1Confident79.4Confident115 Ų115113.4 Ų113.460%0.60258%0.576SS**Hα-helixtrans-67.6-41.3175.2-76.6169.2000112.3Y160 K161 Q162 L166 L167 S168Y160-L164 WeakPolarHBondContact O-CB 3.29Å; Y160-L164 WeakPolarHBondContact O-CG 3.48Å; Y160-L164 PolarHBondContact O-N 2.78Å; K161-L164 PolarHBondContact O-N 3.37Å; Q162-L164 VanDerWaalsContact C-N 3.34Å; Q162-L164 PolarHBondContact O-N 3.25Å; L164-L166 VanDerWaalsContact C-N 3.33Å; L164-L167 PolarHBondContact O-N 2.87Å; L164-S168 WeakPolarHBondContact O-CB 3.46Å; L164-S168 PolarHBondContact O-N 3.49Å; L164-S168 PolarHBondContact O-OG 3.37Å
165E81.2Confident78.4Confident121 Ų121115.1 Ų115.157%0.56558%0.584SS**Hα-helixtrans-62.3-42.4173.3-78.2179.6-176.300111K161 Q162 S168 N169K161-E165 WeakPolarHBondContact O-CG 3.35Å; K161-E165 PolarHBondContact O-N 2.86Å; Q162-E165 PolarHBondContact O-N 2.85Å; E165-S168 WeakPolarHBondContact CA-OG 3.25Å; E165-S168 PolarHBondContact O-N 2.89Å; E165-S168 PolarHBondContact O-OG 2.96Å; E165-N169 WeakPolarHBondContact O-CB 3.43Å; E165-N169 VanDerWaalsContact O-CG 3.3Å; E165-N169 PolarHBondContact O-N 3.07Å; E165-N169 PolarHBondContact O-ND2 3.22Å; E165-N169 VanDerWaalsContact O-ND2 3.13Å
166L82.1Confident77.5Confident123 Ų123118.9 Ų118.964%0.64460%0.599SS**Hα-helixtrans-60.9-45.7174.8-165.874.2000111.2Q162 C163 L164 S168 N169 L170Q162-L166 WeakPolarHBondContact O-CB 3.46Å; Q162-L166 PolarHBondContact O-N 2.91Å; C163-L166 PolarHBondContact O-N 3.24Å; L164-L166 VanDerWaalsContact C-N 3.33Å; L166-S168 VanDerWaalsContact C-N 3.31Å; L166-S168 PolarHBondContact O-N 3.44Å; L166-N169 PolarHBondContact O-N 3.42Å; L166-L170 WeakPolarHBondContact O-CG 3.4Å; L166-L170 PolarHBondContact O-N 3.13Å
167L76.6Confident77Confident112 Ų112117.5 Ų117.559%0.58660%0.597SS**Hα-helixtrans-62.9-35.5175.3-74165.3000112.5C163 L164 N169 L170C163-L167 WeakPolarHBondContact O-CB 3.39Å; C163-L167 VanDerWaalsContact O-CG 3.25Å; C163-L167 WeakPolarHBondContact O-CG 3.36Å; C163-L167 PolarHBondContact O-N 2.73Å; L164-L167 PolarHBondContact O-N 2.87Å; L167-N169 VanDerWaalsContact C-N 3.34Å; L167-L170 HydrophobicContact CD2-CD1 4Å
168S70.9Confident76.7Confident88 Ų88117.9 Ų117.962%0.61559%0.594SS**Hα-helixtrans-73.4-26.2177.274.10000113.5L164 E165 L166L164-S168 WeakPolarHBondContact O-CB 3.46Å; L164-S168 PolarHBondContact O-N 3.49Å; L164-S168 PolarHBondContact O-OG 3.37Å; E165-S168 WeakPolarHBondContact CA-OG 3.25Å; E165-S168 PolarHBondContact O-N 2.89Å; E165-S168 PolarHBondContact O-OG 2.96Å; L166-S168 VanDerWaalsContact C-N 3.31Å; L166-S168 PolarHBondContact O-N 3.44Å
169N67.9Low76.4Confident128 Ų128117.9 Ų117.968%0.68460%0.597SS**Hα-helixtrans-90.6-10.9178.5-72.9-34.8000113E165 L166 L167 Q171E165-N169 WeakPolarHBondContact O-CB 3.43Å; E165-N169 VanDerWaalsContact O-CG 3.3Å; E165-N169 PolarHBondContact O-N 3.07Å; E165-N169 PolarHBondContact O-ND2 3.22Å; E165-N169 VanDerWaalsContact O-ND2 3.13Å; L166-N169 PolarHBondContact O-N 3.42Å; L167-N169 VanDerWaalsContact C-N 3.34Å; N169-Q171 PolarHBondContact O-N 3.01Å
170L67.4Low76.4Confident107 Ų107116.5 Ų116.556%0.5660%0.596SS**SBendtrans-62.4126.2166.6-73.2168.1000107.7L166 L167 V172L166-L170 WeakPolarHBondContact O-CG 3.4Å; L166-L170 PolarHBondContact O-N 3.13Å; L167-L170 HydrophobicContact CD2-CD1 4Å; L170-V172 PolarHBondContact O-N 3.31Å
171Q59.5Low76.5Confident189 Ų189113.7 Ų113.788%0.88359%0.588SS**  trans-58.8114.5171.2-73.2177.9-16.800107.2N169 E173N169-Q171 PolarHBondContact O-N 3.01Å; Q171-E173 PolarHBondContact O-N 3.35Å
172V61.8Low76.6Confident134 Ų134111.7 Ų111.781%0.81258%0.583SS**  trans-59.2109.3169-179.10000105.1L170 E174L170-V172 PolarHBondContact O-N 3.31Å; V172-E174 PolarHBondContact O-N 3Å
173E61.5Low76.9Confident118 Ų118112.4 Ų112.455%0.55159%0.587SS**  trans-50.3135.9169.2-69.8-169.2166.200107.8Q171 E175 L178Q171-E173 PolarHBondContact O-N 3.35Å; E173-E175 PolarHBondContact O-N 2.92Å; E173-E175 VanDerWaalsContact O-N 3.16Å; E173-L178 HydrophobicContact CB-CD1 4.08Å; E173-L178 HydrophobicContact CB-CG 4.1Å; E173-L178 WeakPolarHBondContact OE2-CD2 3.26Å
174E65.6Low77.4Confident142 Ų142114.7 Ų114.766%0.66459%0.59SS**  trans-53.3127.6-174.6-68.6177.7167.600108.7V172 E176 T177 L178V172-E174 PolarHBondContact O-N 3Å; E174-E176 PolarHBondContact O-N 3.16Å; E174-T177 HydrophobicContact CB-CG2 4.32Å; E174-T177 PolarHBondContact O-N 2.85Å; E174-T177 PolarHBondContact O-OG1 3.34Å; E174-L178 PolarHBondContact O-N 2.8Å
175E71Confident77.9Confident150 Ų150113.7 Ų113.770%0.70159%0.585SS**Hα-helixtrans-53.4-28.3-175-168.1176.6175.300111.6E173 L179E173-E175 PolarHBondContact O-N 2.92Å; E173-E175 VanDerWaalsContact O-N 3.16Å; E175-L179 HydrophobicContact CG-CD1 4.23Å; E175-L179 WeakPolarHBondContact O-CB 3.45Å; E175-L179 WeakPolarHBondContact O-CD1 3.47Å; E175-L179 WeakPolarHBondContact O-CG 3.39Å; E175-L179 PolarHBondContact O-N 2.98Å
176E73.7Confident78.6Confident160 Ų160113.2 Ų113.275%0.74858%0.581SS**Hα-helixtrans-66.4-37.4173.8-62.9-172.3171.300114.1E174 A180E174-E176 PolarHBondContact O-N 3.16Å; E176-A180 WeakPolarHBondContact O-CB 3.17Å; E176-A180 PolarHBondContact O-N 3.06Å
177T80.9Confident79.2Confident67 Ų67111.8 Ų111.841%0.41157%0.574SS.*Hα-helixtrans-71-41.7177.358.80000111.1E174 A180 E181E174-T177 HydrophobicContact CB-CG2 4.32Å; E174-T177 PolarHBondContact O-N 2.85Å; E174-T177 PolarHBondContact O-OG1 3.34Å; T177-A180 PolarHBondContact O-N 2.83Å; T177-E181 WeakPolarHBondContact O-CB 3.24Å; T177-E181 PolarHBondContact O-N 3.18Å
178L82.1Confident80.1Confident76 Ų76111.5 Ų111.540%0.39857%0.57SS.*Hα-helixtrans-64.6-39175.7-72.3168.9000112E173 E174 L182E173-L178 HydrophobicContact CB-CD1 4.08Å; E173-L178 HydrophobicContact CB-CG 4.1Å; E173-L178 WeakPolarHBondContact OE2-CD2 3.26Å; E174-L178 PolarHBondContact O-N 2.8Å; L178-L182 WeakPolarHBondContact O-CB 3.43Å; L178-L182 PolarHBondContact O-N 3.07Å
179L86.1Confident81.2Confident92 Ų92113.3 Ų113.348%0.48257%0.568SS.*Hα-helixtrans-67.6-37.7175-75.5170.5000112.3E175 Q183E175-L179 HydrophobicContact CG-CD1 4.23Å; E175-L179 WeakPolarHBondContact O-CB 3.45Å; E175-L179 WeakPolarHBondContact O-CD1 3.47Å; E175-L179 WeakPolarHBondContact O-CG 3.39Å; E175-L179 PolarHBondContact O-N 2.98Å; L179-Q183 WeakPolarHBondContact O-CG 3.38Å; L179-Q183 PolarHBondContact O-N 2.94Å
180A87.6Confident82.5Confident46 Ų46113 Ų11338%0.3856%0.563SS.*Hα-helixtrans-66.2-42.9175.300000111.7E176 T177 Q183 Q184E176-A180 WeakPolarHBondContact O-CB 3.17Å; E176-A180 PolarHBondContact O-N 3.06Å; T177-A180 PolarHBondContact O-N 2.83Å; A180-Q183 PolarHBondContact O-N 3.4Å; A180-Q184 WeakPolarHBondContact O-CG 3.34Å; A180-Q184 PolarHBondContact O-N 2.88Å
181E89.4Confident83.9Confident101 Ų101111.4 Ų111.447%0.47256%0.558SS.*Hα-helixtrans-64.7-41.5175.6-168.9174.1-170.600111.5T177 Q183 Q184 L185T177-E181 WeakPolarHBondContact O-CB 3.24Å; T177-E181 PolarHBondContact O-N 3.18Å; E181-Q183 VanDerWaalsContact C-N 3.3Å; E181-Q183 PolarHBondContact O-N 3.35Å; E181-Q184 PolarHBondContact O-N 2.94Å; E181-L185 HydrophobicContact CG-CD1 4.27Å; E181-L185 WeakPolarHBondContact O-CG 3.46Å; E181-L185 PolarHBondContact O-N 3.29Å
182L90.7Very high85.6Confident90 Ų90107.3 Ų107.347%0.47154%0.542SS..Hα-helixtrans-59.8-38.7173.5-108173.2000112.9L178 K186L178-L182 WeakPolarHBondContact O-CB 3.43Å; L178-L182 PolarHBondContact O-N 3.07Å; L182-K186 WeakPolarHBondContact O-CB 3.43Å; L182-K186 VanDerWaalsContact O-CG 3.26Å; L182-K186 WeakPolarHBondContact O-CG 3.35Å; L182-K186 PolarHBondContact O-N 2.98Å; L182-K186 VanDerWaalsContact O-N 3.07Å
183Q92.3Very high87.2Confident131 Ų131104.3 Ų104.361%0.61252%0.523SS*.Hα-helixtrans-69.8-39176-76.2-178.7-1.700111.8L179 A180 E181 K186 N187L179-Q183 WeakPolarHBondContact O-CG 3.38Å; L179-Q183 PolarHBondContact O-N 2.94Å; A180-Q183 PolarHBondContact O-N 3.4Å; E181-Q183 VanDerWaalsContact C-N 3.3Å; E181-Q183 PolarHBondContact O-N 3.35Å; Q183-K186 PolarHBondContact O-N 2.88Å; Q183-N187 VanDerWaalsContact O-CG 3.23Å; Q183-N187 PolarHBondContact O-N 3.19Å; Q183-N187 VanDerWaalsContact O-N 3.09Å; Q183-N187 PolarHBondContact O-ND2 3.27Å
184Q94.5Very high88.9Confident119 Ų119104.7 Ų104.756%0.55653%0.525SS*.Hα-helixtrans-61.6-49.9174.4-74.5178.3-4.800111.2A180 E181 K186 N187 E188A180-Q184 WeakPolarHBondContact O-CG 3.34Å; A180-Q184 PolarHBondContact O-N 2.88Å; E181-Q184 PolarHBondContact O-N 2.94Å; Q184-K186 VanDerWaalsContact C-N 3.31Å; Q184-K186 PolarHBondContact O-N 2.96Å; Q184-N187 PolarHBondContact O-N 3.44Å; Q184-N187 VanDerWaalsContact O-N 3.16Å; Q184-E188 WeakPolarHBondContact O-CG 3.45Å; Q184-E188 PolarHBondContact O-N 2.91Å
185L93.8Very high90.3Very high93 Ų93103.9 Ų103.949%0.48752%0.521SS..Hα-helixtrans-61.5-37179-71172.8000112.7E181 E188 E189E181-L185 HydrophobicContact CG-CD1 4.27Å; E181-L185 WeakPolarHBondContact O-CG 3.46Å; E181-L185 PolarHBondContact O-N 3.29Å; L185-E188 PolarHBondContact O-N 3.01Å; L185-E189 WeakPolarHBondContact O-CB 3.5Å; L185-E189 PolarHBondContact O-N 3.19Å
186K94.4Very high91.5Very high111 Ų111101.5 Ų101.548%0.48351%0.513SS..Hα-helixtrans-64.8-43.8174.5-79.2174.9179.6178.50112.5L182 Q183 Q184 E188 E189 E190L182-K186 WeakPolarHBondContact O-CB 3.43Å; L182-K186 VanDerWaalsContact O-CG 3.26Å; L182-K186 WeakPolarHBondContact O-CG 3.35Å; L182-K186 PolarHBondContact O-N 2.98Å; L182-K186 VanDerWaalsContact O-N 3.07Å; Q183-K186 PolarHBondContact O-N 2.88Å; Q184-K186 VanDerWaalsContact C-N 3.31Å; Q184-K186 PolarHBondContact O-N 2.96Å; K186-E188 VanDerWaalsContact C-N 3.3Å; K186-E188 PolarHBondContact O-N 3.47Å; K186-E189 PolarHBondContact O-N 2.92Å; K186-E190 WeakPolarHBondContact O-CG 3.39Å; K186-E190 PolarHBondContact O-N 3.36Å
187N95.2Very high92.6Very high94 Ų9499.5 Ų99.550%0.50350%0.504SS..Hα-helixtrans-64.9-39.6176.8-65.3-23.5000110.8Q183 Q184 E190 T191Q183-N187 VanDerWaalsContact O-CG 3.23Å; Q183-N187 PolarHBondContact O-N 3.19Å; Q183-N187 VanDerWaalsContact O-N 3.09Å; Q183-N187 PolarHBondContact O-ND2 3.27Å; Q184-N187 PolarHBondContact O-N 3.44Å; Q184-N187 VanDerWaalsContact O-N 3.16Å; N187-E190 PolarHBondContact O-N 3.31Å; N187-T191 WeakPolarHBondContact O-CG2 3.27Å; N187-T191 PolarHBondContact O-N 3.43Å; N187-T191 PolarHBondContact O-OG1 3.19Å
188E95.6Very high93.3Very high105 Ų10598.4 Ų98.449%0.49150%0.501SS..Hα-helixtrans-63.1-45.4174.5-72.8177.9-174.900111.6Q184 L185 K186 E190 T191 L192Q184-E188 WeakPolarHBondContact O-CG 3.45Å; Q184-E188 PolarHBondContact O-N 2.91Å; L185-E188 PolarHBondContact O-N 3.01Å; K186-E188 VanDerWaalsContact C-N 3.3Å; K186-E188 PolarHBondContact O-N 3.47Å; E188-E190 VanDerWaalsContact C-N 3.35Å; E188-E190 PolarHBondContact O-N 2.89Å; E188-T191 WeakPolarHBondContact CA-OG1 3.41Å; E188-T191 PolarHBondContact O-N 3.21Å; E188-T191 PolarHBondContact O-OG1 3.47Å; E188-L192 WeakPolarHBondContact O-CB 3.4Å; E188-L192 WeakPolarHBondContact O-CG 3.47Å; E188-L192 PolarHBondContact O-N 2.96Å
189E94.4Very high94Very high126 Ų12697.9 Ų97.959%0.58950%0.501SS*.Hα-helixtrans-56.5-47.9174.6-174.8-179-17400111.1L185 K186 T191 L192 V193L185-E189 WeakPolarHBondContact O-CB 3.5Å; L185-E189 PolarHBondContact O-N 3.19Å; K186-E189 PolarHBondContact O-N 2.92Å; E189-T191 PolarHBondContact O-N 2.99Å; E189-L192 PolarHBondContact O-N 2.74Å; E189-V193 WeakPolarHBondContact O-CB 3.48Å; E189-V193 VanDerWaalsContact O-CG2 3.24Å; E189-V193 WeakPolarHBondContact O-CG2 3.42Å; E189-V193 PolarHBondContact O-N 3.5Å
190E94.8Very high94.5Very high122 Ų12299.1 Ų99.157%0.5750%0.504SS*.Hα-helixtrans-61-42.1177.2-74.1-179.3-174.200112.4K186 N187 E188 Q194K186-E190 WeakPolarHBondContact O-CG 3.39Å; K186-E190 PolarHBondContact O-N 3.36Å; N187-E190 PolarHBondContact O-N 3.31Å; E188-E190 VanDerWaalsContact C-N 3.35Å; E188-E190 PolarHBondContact O-N 2.89Å; E190-Q194 WeakPolarHBondContact O-CG 3.36Å; E190-Q194 PolarHBondContact O-N 3.16Å
191T96.4Very high94.9Very high74 Ų74104.1 Ų104.145%0.45452%0.519SS..Hα-helixtrans-65.4-43.3176.856.80000112.2N187 E188 E189 V193 Q194 E195N187-T191 WeakPolarHBondContact O-CG2 3.27Å; N187-T191 PolarHBondContact O-N 3.43Å; N187-T191 PolarHBondContact O-OG1 3.19Å; E188-T191 WeakPolarHBondContact CA-OG1 3.41Å; E188-T191 PolarHBondContact O-N 3.21Å; E188-T191 PolarHBondContact O-OG1 3.47Å; E189-T191 PolarHBondContact O-N 2.99Å; T191-V193 VanDerWaalsContact C-N 3.34Å; T191-V193 PolarHBondContact O-N 2.91Å; T191-Q194 PolarHBondContact O-N 3.43Å; T191-E195 WeakPolarHBondContact O-CG 3.45Å; T191-E195 PolarHBondContact O-N 3.42Å
192L95.8Very high95.3Very high103 Ų103105.3 Ų105.354%0.53953%0.525SS..Hα-helixtrans-65.7-38.1179.4-73.3170.3000111.6E188 E189 E195 L196E188-L192 WeakPolarHBondContact O-CB 3.4Å; E188-L192 WeakPolarHBondContact O-CG 3.47Å; E188-L192 PolarHBondContact O-N 2.96Å; E189-L192 PolarHBondContact O-N 2.74Å; L192-E195 PolarHBondContact O-N 3.35Å; L192-L196 WeakPolarHBondContact O-CB 3.42Å; L192-L196 PolarHBondContact O-N 3.47Å
193V96.2Very high95.5Very high70 Ų70109.8 Ų109.842%0.42454%0.536SS..Hα-helixtrans-62.2-44.8175.4169.30000110.8E189 T191 E195 L196 E197E189-V193 WeakPolarHBondContact O-CB 3.48Å; E189-V193 VanDerWaalsContact O-CG2 3.24Å; E189-V193 WeakPolarHBondContact O-CG2 3.42Å; E189-V193 PolarHBondContact O-N 3.5Å; T191-V193 VanDerWaalsContact C-N 3.34Å; T191-V193 PolarHBondContact O-N 2.91Å; V193-E195 PolarHBondContact O-N 3.36Å; V193-L196 WeakPolarHBondContact O-CB 3.42Å; V193-L196 PolarHBondContact O-N 3.25Å; V193-E197 WeakPolarHBondContact O-CG 3.44Å; V193-E197 PolarHBondContact O-N 3.48Å
194Q95.8Very high95.7Very high127 Ų127106.6 Ų106.659%0.59353%0.532SS*.Hα-helixtrans-63.3-40.5176.9-70.5174.217.800112.4E190 T191 L196 A198E190-Q194 WeakPolarHBondContact O-CG 3.36Å; E190-Q194 PolarHBondContact O-N 3.16Å; T191-Q194 PolarHBondContact O-N 3.43Å; Q194-L196 VanDerWaalsContact C-N 3.33Å; Q194-A198 PolarHBondContact O-N 2.91Å; Q194-A198 VanDerWaalsContact O-N 3.09Å
195E96.4Very high95.9Very high125 Ų125103.4 Ų103.458%0.58453%0.526SS*.Hα-helixtrans-63.8-39.5174.4-72.4-176.1176.200111.7T191 L192 V193 A198 V199T191-E195 WeakPolarHBondContact O-CG 3.45Å; T191-E195 PolarHBondContact O-N 3.42Å; L192-E195 PolarHBondContact O-N 3.35Å; V193-E195 PolarHBondContact O-N 3.36Å; E195-A198 PolarHBondContact O-N 3.09Å; E195-V199 VanDerWaalsContact O-CG2 3.29Å; E195-V199 WeakPolarHBondContact O-CG2 3.39Å; E195-V199 PolarHBondContact O-N 3.34Å
196L95.4Very high96.1Very high100 Ų100103 Ų10352%0.52453%0.527SS..Hα-helixtrans-63.7-47.3177.8-130161.6000111.3L192 V193 Q194 A198 V199 E200L192-L196 WeakPolarHBondContact O-CB 3.42Å; L192-L196 PolarHBondContact O-N 3.47Å; V193-L196 WeakPolarHBondContact O-CB 3.42Å; V193-L196 PolarHBondContact O-N 3.25Å; Q194-L196 VanDerWaalsContact C-N 3.33Å; L196-A198 VanDerWaalsContact C-N 3.35Å; L196-A198 PolarHBondContact O-N 3.11Å; L196-V199 PolarHBondContact O-N 3.44Å; L196-E200 HydrophobicContact CD2-CG 4.15Å; L196-E200 WeakPolarHBondContact O-CG 3.32Å; L196-E200 PolarHBondContact O-N 3.49Å
197E96.2Very high96.2Very high118 Ų118100.5 Ų100.555%0.55153%0.527SS*.Hα-helixtrans-58.5-45.6176.4-73179.9172.700111.5V193 V199 E200 E201V193-E197 WeakPolarHBondContact O-CG 3.44Å; V193-E197 PolarHBondContact O-N 3.48Å; E197-V199 VanDerWaalsContact C-N 3.33Å; E197-V199 PolarHBondContact O-N 3.24Å; E197-E200 PolarHBondContact O-N 3.09Å; E197-E201 PolarHBondContact O-N 3.18Å
198A97Very high96.3Very high43 Ų43102.5 Ų102.536%0.35553%0.532SS..Hα-helixtrans-61.8-39.7177.200000112.4Q194 E195 L196 Q202Q194-A198 PolarHBondContact O-N 2.91Å; Q194-A198 VanDerWaalsContact O-N 3.09Å; E195-A198 PolarHBondContact O-N 3.09Å; L196-A198 VanDerWaalsContact C-N 3.35Å; L196-A198 PolarHBondContact O-N 3.11Å; A198-Q202 VanDerWaalsContact O-CG 3.27Å; A198-Q202 WeakPolarHBondContact O-CG 3.44Å; A198-Q202 PolarHBondContact O-N 3.46Å; A198-Q202 VanDerWaalsContact O-N 3.08Å
199V97Very high96.4Very high65 Ų65101.9 Ų101.939%0.39453%0.531SS..Hα-helixtrans-68.5-36.8176.3170.50000111.4E195 L196 E197 Q202 R203E195-V199 VanDerWaalsContact O-CG2 3.29Å; E195-V199 WeakPolarHBondContact O-CG2 3.39Å; E195-V199 PolarHBondContact O-N 3.34Å; L196-V199 PolarHBondContact O-N 3.44Å; E197-V199 VanDerWaalsContact C-N 3.33Å; E197-V199 PolarHBondContact O-N 3.24Å; V199-Q202 PolarHBondContact O-N 2.98Å; V199-R203 HydrophobicContact CG1-CG 4.47Å; V199-R203 WeakPolarHBondContact O-CB 3.41Å; V199-R203 WeakPolarHBondContact O-CG 3.27Å; V199-R203 PolarHBondContact O-N 3.26Å
200E95.7Very high96.5Very high118 Ų118100 Ų10055%0.55153%0.525SS*.Hα-helixtrans-65.5-42.6176.1-74.8-174.3167.800112.1L196 E197 Q202 R203 A204L196-E200 HydrophobicContact CD2-CG 4.15Å; L196-E200 WeakPolarHBondContact O-CG 3.32Å; L196-E200 PolarHBondContact O-N 3.49Å; E197-E200 PolarHBondContact O-N 3.09Å; E200-Q202 PolarHBondContact O-N 3.39Å; E200-R203 PolarHBondContact O-N 3.18Å; E200-A204 PolarHBondContact O-N 3.43Å
201E96.7Very high96.6Very high151 Ų15196.5 Ų96.571%0.70652%0.517SS*.Hα-helixtrans-60.9-44.6173.4-72.7-171.4166.900111.8E197 R203 A204 A205E197-E201 PolarHBondContact O-N 3.18Å; E201-R203 VanDerWaalsContact C-N 3.35Å; E201-R203 PolarHBondContact O-N 3.48Å; E201-A204 PolarHBondContact O-N 3.49Å; E201-A205 PolarHBondContact O-N 2.87Å
202Q96.7Very high96.7Very high126 Ų12697.6 Ų97.659%0.58952%0.517SS*.Hα-helixtrans-62.3-41.5175.7-72.4175.712.700111.8A198 V199 E200 A204 A205 V206A198-Q202 VanDerWaalsContact O-CG 3.27Å; A198-Q202 WeakPolarHBondContact O-CG 3.44Å; A198-Q202 PolarHBondContact O-N 3.46Å; A198-Q202 VanDerWaalsContact O-N 3.08Å; V199-Q202 PolarHBondContact O-N 2.98Å; E200-Q202 PolarHBondContact O-N 3.39Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-A204 PolarHBondContact O-N 2.98Å; Q202-A205 PolarHBondContact O-N 3.41Å; Q202-V206 WeakPolarHBondContact O-CB 3.47Å; Q202-V206 VanDerWaalsContact O-CG2 3.29Å; Q202-V206 WeakPolarHBondContact O-CG2 3.41Å; Q202-V206 PolarHBondContact O-N 3.01Å
203R95.8Very high96.7Very high184 Ų18495.9 Ų95.969%0.69451%0.513SS*.Hα-helixtrans-61.9-42.1174.9-79.9-179.1176.8-160.91.8111.7V199 E200 E201 V206 A207V199-R203 HydrophobicContact CG1-CG 4.47Å; V199-R203 WeakPolarHBondContact O-CB 3.41Å; V199-R203 WeakPolarHBondContact O-CG 3.27Å; V199-R203 PolarHBondContact O-N 3.26Å; E200-R203 PolarHBondContact O-N 3.18Å; E201-R203 VanDerWaalsContact C-N 3.35Å; E201-R203 PolarHBondContact O-N 3.48Å; R203-V206 PolarHBondContact O-N 3.32Å; R203-A207 VanDerWaalsContact O-CB 3.27Å; R203-A207 WeakPolarHBondContact O-CB 3.4Å; R203-A207 PolarHBondContact O-N 3.08Å
204A96.5Very high96.8Very high65 Ų65100.6 Ų100.654%0.53752%0.524SS..Hα-helixtrans-64.4-42177.500000111.8E200 E201 Q202 A207 K208E200-A204 PolarHBondContact O-N 3.43Å; E201-A204 PolarHBondContact O-N 3.49Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-A204 PolarHBondContact O-N 2.98Å; A204-A207 PolarHBondContact O-N 3.47Å; A204-K208 PolarHBondContact O-N 2.89Å; A204-K208 VanDerWaalsContact O-N 3.11Å
205A97.3Very high96.9Very high52 Ų5299 Ų9943%0.4352%0.518SS..Hα-helixtrans-61.7-50.5174.800000111.6E201 Q202 A207 K208 D209E201-A205 PolarHBondContact O-N 2.87Å; Q202-A205 PolarHBondContact O-N 3.41Å; A205-A207 VanDerWaalsContact C-N 3.3Å; A205-A207 PolarHBondContact O-N 3.43Å; A205-K208 WeakPolarHBondContact O-CB 3.48Å; A205-K208 PolarHBondContact O-N 3.01Å; A205-K208 VanDerWaalsContact O-N 3.13Å; A205-D209 PolarHBondContact O-N 2.68Å
206V98Very high96.9Very high85 Ų8598.4 Ų98.452%0.51552%0.516SS..Hα-helixtrans-61.6-38.3178.41720000111.7Q202 R203 K208 D209 L210Q202-V206 WeakPolarHBondContact O-CB 3.47Å; Q202-V206 VanDerWaalsContact O-CG2 3.29Å; Q202-V206 WeakPolarHBondContact O-CG2 3.41Å; Q202-V206 PolarHBondContact O-N 3.01Å; R203-V206 PolarHBondContact O-N 3.32Å; V206-K208 VanDerWaalsContact C-N 3.33Å; V206-K208 PolarHBondContact O-N 3.29Å; V206-D209 PolarHBondContact O-N 3.02Å; V206-L210 HydrophobicContact CG1-CD1 4.34Å; V206-L210 WeakPolarHBondContact O-CB 3.34Å; V206-L210 PolarHBondContact O-N 3.49Å
207A97.1Very high97Very high58 Ų5896 Ų9648%0.47951%0.51SS..Hα-helixtrans-63.4-39176.800000112.2R203 A204 A205 A211R203-A207 VanDerWaalsContact O-CB 3.27Å; R203-A207 WeakPolarHBondContact O-CB 3.4Å; R203-A207 PolarHBondContact O-N 3.08Å; A204-A207 PolarHBondContact O-N 3.47Å; A205-A207 VanDerWaalsContact C-N 3.3Å; A205-A207 PolarHBondContact O-N 3.43Å; A207-A211 PolarHBondContact O-N 3.19Å
208K97Very high97.1Very high136 Ų13696.5 Ų96.559%0.59151%0.512SS*.Hα-helixtrans-65.3-44.7175.3-173.7-178177.6-175.80111.3A204 A205 V206 A211 Q212A204-K208 PolarHBondContact O-N 2.89Å; A204-K208 VanDerWaalsContact O-N 3.11Å; A205-K208 WeakPolarHBondContact O-CB 3.48Å; A205-K208 PolarHBondContact O-N 3.01Å; A205-K208 VanDerWaalsContact O-N 3.13Å; V206-K208 VanDerWaalsContact C-N 3.33Å; V206-K208 PolarHBondContact O-N 3.29Å; K208-A211 PolarHBondContact O-N 3.2Å; K208-Q212 WeakPolarHBondContact O-CG 3.44Å; K208-Q212 PolarHBondContact O-N 3.39Å
209D97.4Very high97.1Very high91 Ų9199.6 Ų99.649%0.48752%0.519SS..Hα-helixtrans-64.6-43.3179-67-13.1000111.1A205 V206 A211 Q212 S213A205-D209 PolarHBondContact O-N 2.68Å; V206-D209 PolarHBondContact O-N 3.02Å; D209-A211 VanDerWaalsContact C-N 3.3Å; D209-A211 PolarHBondContact O-N 3.36Å; D209-Q212 PolarHBondContact O-N 2.87Å; D209-Q212 VanDerWaalsContact O-N 3.15Å; D209-S213 PolarHBondContact O-N 3.15Å; D209-S213 PolarHBondContact O-OG 3.24Å
210L97.4Very high97.2Very high88 Ų88101.6 Ų101.646%0.46153%0.527SS..Hα-helixtrans-58-41.4173.7-104.5165.3000112.4V206 S213 R214V206-L210 HydrophobicContact CG1-CD1 4.34Å; V206-L210 WeakPolarHBondContact O-CB 3.34Å; V206-L210 PolarHBondContact O-N 3.49Å; L210-S213 PolarHBondContact O-N 3.05Å; L210-R214 WeakPolarHBondContact O-CB 3.47Å; L210-R214 VanDerWaalsContact O-CG 3.27Å; L210-R214 WeakPolarHBondContact O-CG 3.39Å; L210-R214 PolarHBondContact O-N 3.39Å
211A97.3Very high97.3Very high48 Ų48100.8 Ų100.840%0.39753%0.527SS..Hα-helixtrans-64.6-41.8177.100000111.6A207 K208 D209 R214 I215A207-A211 PolarHBondContact O-N 3.19Å; K208-A211 PolarHBondContact O-N 3.2Å; D209-A211 VanDerWaalsContact C-N 3.3Å; D209-A211 PolarHBondContact O-N 3.36Å; A211-R214 PolarHBondContact O-N 3.04Å; A211-I215 WeakPolarHBondContact O-CG1 3.48Å; A211-I215 PolarHBondContact O-N 3.06Å
212Q97.4Very high97.3Very high96 Ų9697.5 Ų97.545%0.44952%0.517SS..Hα-helixtrans-64.7-45.9175.9-69.5-178.90.600111.9K208 D209 R214 I215 Q216K208-Q212 WeakPolarHBondContact O-CG 3.44Å; K208-Q212 PolarHBondContact O-N 3.39Å; D209-Q212 PolarHBondContact O-N 2.87Å; D209-Q212 VanDerWaalsContact O-N 3.15Å; Q212-R214 VanDerWaalsContact C-N 3.28Å; Q212-R214 PolarHBondContact O-N 3.35Å; Q212-I215 PolarHBondContact O-N 3.2Å; Q212-Q216 WeakPolarHBondContact O-CG 3.29Å; Q212-Q216 PolarHBondContact O-N 3.35Å
213S96.5Very high97.4Very high67 Ų6796.9 Ų96.947%0.46951%0.514SS..Hα-helixtrans-61.7-35.8176.8-61.10000112.4D209 L210 Q216 A217D209-S213 PolarHBondContact O-N 3.15Å; D209-S213 PolarHBondContact O-OG 3.24Å; L210-S213 PolarHBondContact O-N 3.05Å; S213-Q216 PolarHBondContact O-N 3.04Å; S213-A217 WeakPolarHBondContact O-CB 3.46Å; S213-A217 PolarHBondContact O-N 3.47Å
214R97.4Very high97.5Very high169 Ų16993.2 Ų93.264%0.63851%0.505SS*.Hα-helixtrans-63.7-41.3174.9-78.2174-178.9176.81.8112.6L210 A211 Q212 A217 Q218L210-R214 WeakPolarHBondContact O-CB 3.47Å; L210-R214 VanDerWaalsContact O-CG 3.27Å; L210-R214 WeakPolarHBondContact O-CG 3.39Å; L210-R214 PolarHBondContact O-N 3.39Å; A211-R214 PolarHBondContact O-N 3.04Å; Q212-R214 VanDerWaalsContact C-N 3.28Å; Q212-R214 PolarHBondContact O-N 3.35Å; R214-A217 PolarHBondContact O-N 3.25Å; R214-Q218 WeakPolarHBondContact O-CG 3.29Å; R214-Q218 PolarHBondContact O-N 2.92Å; R214-Q218 VanDerWaalsContact O-N 3.08Å
215I97.8Very high97.5Very high95 Ų9594.5 Ų94.549%0.48750%0.502SS..Hα-helixtrans-64.8-44.3176.9-65.9165000110.1A211 Q212 A217 Q218 Q219A211-I215 WeakPolarHBondContact O-CG1 3.48Å; A211-I215 PolarHBondContact O-N 3.06Å; Q212-I215 PolarHBondContact O-N 3.2Å; I215-A217 PolarHBondContact O-N 2.9Å; I215-Q218 PolarHBondContact O-N 3.35Å; I215-Q219 WeakPolarHBondContact O-CG 3.27Å; I215-Q219 PolarHBondContact O-N 3.34Å
216Q97.8Very high97.5Very high112 Ų11297.3 Ų97.352%0.52351%0.506SS..Hα-helixtrans-62.5-41.7177.1-70.2175-3.700112Q212 S213 Q218 Q219 L220Q212-Q216 WeakPolarHBondContact O-CG 3.29Å; Q212-Q216 PolarHBondContact O-N 3.35Å; S213-Q216 PolarHBondContact O-N 3.04Å; Q216-Q218 PolarHBondContact O-N 2.94Å; Q216-Q219 PolarHBondContact O-N 3.43Å; Q216-L220 WeakPolarHBondContact O-CG 3.38Å; Q216-L220 PolarHBondContact O-N 3.47Å
217A97.9Very high97.5Very high48 Ų48100.4 Ų100.440%0.39751%0.51SS..Hα-helixtrans-60.1-45.517600000111.7S213 R214 I215 Q219 L220 D221S213-A217 WeakPolarHBondContact O-CB 3.46Å; S213-A217 PolarHBondContact O-N 3.47Å; R214-A217 PolarHBondContact O-N 3.25Å; I215-A217 PolarHBondContact O-N 2.9Å; A217-Q219 VanDerWaalsContact C-N 3.31Å; A217-Q219 PolarHBondContact O-N 3.13Å; A217-L220 PolarHBondContact O-N 3.35Å; A217-D221 PolarHBondContact O-N 3.34Å
218Q97.2Very high97.6Very high130 Ų130102.2 Ų102.261%0.60751%0.508SS*.Hα-helixtrans-62.6-37.6176.5-72.4178.1-8.800112.7R214 I215 Q216 D221 T222R214-Q218 WeakPolarHBondContact O-CG 3.29Å; R214-Q218 PolarHBondContact O-N 2.92Å; R214-Q218 VanDerWaalsContact O-N 3.08Å; I215-Q218 PolarHBondContact O-N 3.35Å; Q216-Q218 PolarHBondContact O-N 2.94Å; Q218-D221 PolarHBondContact O-N 3.47Å; Q218-T222 WeakPolarHBondContact O-CG2 3.42Å; Q218-T222 PolarHBondContact O-N 3.08Å
219Q97.8Very high97.7Very high107 Ų107101.6 Ų101.650%0.551%0.506SS..Hα-helixtrans-63.3-46.9174.9-72.8173.3-16.100110.9I215 Q216 A217 D221 T222 E223I215-Q219 WeakPolarHBondContact O-CG 3.27Å; I215-Q219 PolarHBondContact O-N 3.34Å; Q216-Q219 PolarHBondContact O-N 3.43Å; A217-Q219 VanDerWaalsContact C-N 3.31Å; A217-Q219 PolarHBondContact O-N 3.13Å; Q219-D221 VanDerWaalsContact C-N 3.33Å; Q219-D221 PolarHBondContact O-N 3.12Å; Q219-T222 PolarHBondContact O-N 3.41Å; Q219-T222 VanDerWaalsContact O-N 3.12Å; Q219-T222 PolarHBondContact O-OG1 3.23Å; Q219-E223 WeakPolarHBondContact O-CG 3.44Å; Q219-E223 PolarHBondContact O-N 3.39Å
220L98.1Very high97.7Very high107 Ų107102.3 Ų102.356%0.5651%0.506SS*.Hα-helixtrans-60.5-41.1176.9-70.7171.2000112.2Q216 A217 T222 E223 E224Q216-L220 WeakPolarHBondContact O-CG 3.38Å; Q216-L220 PolarHBondContact O-N 3.47Å; A217-L220 PolarHBondContact O-N 3.35Å; L220-T222 VanDerWaalsContact C-N 3.27Å; L220-T222 PolarHBondContact O-N 2.93Å; L220-E223 PolarHBondContact O-N 3.11Å; L220-E224 WeakPolarHBondContact O-CB 3.4Å; L220-E224 PolarHBondContact O-N 3.09Å
221D97.9Very high97.7Very high102 Ų102104.3 Ų104.355%0.54551%0.509SS..Hα-helixtrans-59.8-39.4176-69.6-22.5000111.5A217 Q218 Q219 L225A217-D221 PolarHBondContact O-N 3.34Å; Q218-D221 PolarHBondContact O-N 3.47Å; Q219-D221 VanDerWaalsContact C-N 3.33Å; Q219-D221 PolarHBondContact O-N 3.12Å; D221-L225 WeakPolarHBondContact O-CB 3.35Å; D221-L225 PolarHBondContact O-N 3.01Å; D221-L225 VanDerWaalsContact O-N 3.09Å
222T97.4Very high97.8Very high82 Ų82105.5 Ų105.550%0.50351%0.514SS..Hα-helixtrans-70-38.1177.160.80000112.9Q218 Q219 L220 L225 Q226Q218-T222 WeakPolarHBondContact O-CG2 3.42Å; Q218-T222 PolarHBondContact O-N 3.08Å; Q219-T222 PolarHBondContact O-N 3.41Å; Q219-T222 VanDerWaalsContact O-N 3.12Å; Q219-T222 PolarHBondContact O-OG1 3.23Å; L220-T222 VanDerWaalsContact C-N 3.27Å; L220-T222 PolarHBondContact O-N 2.93Å; T222-L225 PolarHBondContact O-N 2.82Å; T222-Q226 WeakPolarHBondContact O-CG 3.5Å; T222-Q226 PolarHBondContact O-N 2.92Å; T222-Q226 VanDerWaalsContact O-N 3.11Å
223E97.8Very high97.8Very high113 Ų113106.4 Ų106.453%0.52852%0.518SS..Hα-helixtrans-67.8-41.4175.9-71.1178.6179.800111.2Q219 L220 L225 Q226 Y227Q219-E223 WeakPolarHBondContact O-CG 3.44Å; Q219-E223 PolarHBondContact O-N 3.39Å; L220-E223 PolarHBondContact O-N 3.11Å; E223-L225 VanDerWaalsContact C-N 3.32Å; E223-L225 PolarHBondContact O-N 2.97Å; E223-Q226 PolarHBondContact O-N 2.61Å; E223-Y227 WeakPolarHBondContact O-CB 3.4Å; E223-Y227 PolarHBondContact O-N 2.95Å
224E97.8Very high97.9Very high107 Ų107109.4 Ų109.450%0.552%0.523SS..Hα-helixtrans-60-44.6175.4-169.7-174.516100110.7L220 Q226 Y227 Q228L220-E224 WeakPolarHBondContact O-CB 3.4Å; L220-E224 PolarHBondContact O-N 3.09Å; E224-Q226 VanDerWaalsContact C-N 3.31Å; E224-Q226 PolarHBondContact O-N 3.21Å; E224-Y227 PolarHBondContact O-N 3.21Å; E224-Q228 HydrophobicContact CG-CG 4.43Å; E224-Q228 WeakPolarHBondContact O-CB 3.44Å; E224-Q228 VanDerWaalsContact O-CG 3.3Å; E224-Q228 WeakPolarHBondContact O-CG 3.38Å; E224-Q228 PolarHBondContact O-N 3.49Å; E224-Q228 PolarHBondContact OE1-NE2 3.41Å
225L97.7Very high97.9Very high91 Ų91105.2 Ų105.248%0.47651%0.509SS..Hα-helixtrans-65.5-34178.9-170.6139.8000112.5D221 T222 E223 K229D221-L225 WeakPolarHBondContact O-CB 3.35Å; D221-L225 PolarHBondContact O-N 3.01Å; D221-L225 VanDerWaalsContact O-N 3.09Å; T222-L225 PolarHBondContact O-N 2.82Å; E223-L225 VanDerWaalsContact C-N 3.32Å; E223-L225 PolarHBondContact O-N 2.97Å; L225-K229 HydrophobicContact CD2-CD 4.28Å; L225-K229 VanDerWaalsContact CD2-CE 3.47Å; L225-K229 WeakPolarHBondContact O-CG 3.46Å; L225-K229 PolarHBondContact O-N 2.89Å
226Q97.7Very high98Very high111 Ų111106.7 Ų106.752%0.51951%0.509SS..Hα-helixtrans-67.1-48.2172-71.6174.116.800110.8T222 E223 E224 Q228 K229 E230T222-Q226 WeakPolarHBondContact O-CG 3.5Å; T222-Q226 PolarHBondContact O-N 2.92Å; T222-Q226 VanDerWaalsContact O-N 3.11Å; E223-Q226 PolarHBondContact O-N 2.61Å; E224-Q226 VanDerWaalsContact C-N 3.31Å; E224-Q226 PolarHBondContact O-N 3.21Å; Q226-Q228 VanDerWaalsContact C-N 3.32Å; Q226-Q228 PolarHBondContact O-N 3.18Å; Q226-K229 WeakPolarHBondContact O-CB 3.3Å; Q226-K229 PolarHBondContact O-N 2.75Å; Q226-K229 VanDerWaalsContact O-N 3.09Å; Q226-E230 PolarHBondContact O-N 2.89Å
227Y98.1Very high98Very high150 Ų150105.3 Ų105.359%0.58850%0.502SS*.Hα-helixtrans-59.1-41.4178.1-178.9-100.4000112.4E223 E224 K229 E230 Y231E223-Y227 WeakPolarHBondContact O-CB 3.4Å; E223-Y227 PolarHBondContact O-N 2.95Å; E224-Y227 PolarHBondContact O-N 3.21Å; Y227-K229 VanDerWaalsContact C-N 3.3Å; Y227-K229 PolarHBondContact O-N 3.38Å; Y227-E230 PolarHBondContact O-N 2.83Å; Y227-Y231 VanDerWaalsContact O-CB 3.3Å; Y227-Y231 WeakPolarHBondContact O-CB 3.1Å; Y227-Y231 PolarHBondContact O-N 3.23Å
228Q98.3Very high98Very high97 Ų97107.5 Ų107.545%0.45350%0.504SS..Hα-helixtrans-62.5-35.8176.7-74.7178.910.700112.5E224 Q226 S232E224-Q228 HydrophobicContact CG-CG 4.43Å; E224-Q228 WeakPolarHBondContact O-CB 3.44Å; E224-Q228 VanDerWaalsContact O-CG 3.3Å; E224-Q228 WeakPolarHBondContact O-CG 3.38Å; E224-Q228 PolarHBondContact O-N 3.49Å; E224-Q228 PolarHBondContact OE1-NE2 3.41Å; Q226-Q228 VanDerWaalsContact C-N 3.32Å; Q226-Q228 PolarHBondContact O-N 3.18Å; Q228-S232 WeakPolarHBondContact O-CB 3.43Å; Q228-S232 PolarHBondContact O-N 3.12Å; Q228-S232 PolarHBondContact O-OG 2.83Å
229K98.1Very high98.1Very high123 Ų123105.6 Ų105.654%0.53550%0.498SS..Hα-helixtrans-66.9-49.8174.9-72170.8179.91740111L225 Q226 Y227 Y231 S232 E233L225-K229 HydrophobicContact CD2-CD 4.28Å; L225-K229 VanDerWaalsContact CD2-CE 3.47Å; L225-K229 WeakPolarHBondContact O-CG 3.46Å; L225-K229 PolarHBondContact O-N 2.89Å; Q226-K229 WeakPolarHBondContact O-CB 3.3Å; Q226-K229 PolarHBondContact O-N 2.75Å; Q226-K229 VanDerWaalsContact O-N 3.09Å; Y227-K229 VanDerWaalsContact C-N 3.3Å; Y227-K229 PolarHBondContact O-N 3.38Å; K229-Y231 VanDerWaalsContact C-N 3.31Å; K229-Y231 PolarHBondContact O-N 3.09Å; K229-S232 WeakPolarHBondContact O-CB 3.49Å; K229-S232 PolarHBondContact O-N 3Å; K229-S232 VanDerWaalsContact O-N 3.12Å; K229-E233 PolarHBondContact O-N 3.33Å
230E98.2Very high98.1Very high106 Ų106104.8 Ų104.850%0.49549%0.494SS..Hα-helixtrans-58.4-45.4177.2-67.7179.6-178.900111.1Q226 Y227 S232 E233 F234Q226-E230 PolarHBondContact O-N 2.89Å; Y227-E230 PolarHBondContact O-N 2.83Å; E230-S232 VanDerWaalsContact C-N 3.31Å; E230-S232 PolarHBondContact O-N 2.91Å; E230-E233 PolarHBondContact O-N 3.07Å; E230-F234 HydrophobicContact CB-CE2 4.41Å; E230-F234 WeakPolarHBondContact O-CD2 3.44Å; E230-F234 PolarHBondContact O-N 3.36Å
231Y98.3Very high98.1Very high130 Ų130104.9 Ų104.951%0.5150%0.495SS..Hα-helixtrans-58.3-43.2175.7179.9-96.6000112.1Y227 K229 E233 F234 K235Y227-Y231 VanDerWaalsContact O-CB 3.3Å; Y227-Y231 WeakPolarHBondContact O-CB 3.1Å; Y227-Y231 PolarHBondContact O-N 3.23Å; K229-Y231 VanDerWaalsContact C-N 3.31Å; K229-Y231 PolarHBondContact O-N 3.09Å; Y231-E233 VanDerWaalsContact C-N 3.34Å; Y231-E233 PolarHBondContact O-N 2.87Å; Y231-F234 PolarHBondContact O-N 3.4Å; Y231-K235 VanDerWaalsContact O-CB 3.32Å; Y231-K235 WeakPolarHBondContact O-CB 3.46Å; Y231-K235 PolarHBondContact O-N 3.32Å
232S97.9Very high98.1Very high72 Ų72103.2 Ų103.250%0.50349%0.485SS..Hα-helixtrans-64.7-38.9178-60.30000111.9Q228 K229 E230 K235 R236Q228-S232 WeakPolarHBondContact O-CB 3.43Å; Q228-S232 PolarHBondContact O-N 3.12Å; Q228-S232 PolarHBondContact O-OG 2.83Å; K229-S232 WeakPolarHBondContact O-CB 3.49Å; K229-S232 PolarHBondContact O-N 3Å; K229-S232 VanDerWaalsContact O-N 3.12Å; E230-S232 VanDerWaalsContact C-N 3.31Å; E230-S232 PolarHBondContact O-N 2.91Å; S232-K235 PolarHBondContact O-N 3.17Å; S232-R236 PolarHBondContact O-N 3.5Å
233E98.3Very high98.1Very high115 Ų115103.9 Ų103.954%0.53749%0.486SS..Hα-helixtrans-65.4-46.7174.9-72.3180-175.400112K229 E230 Y231 K235 R236 Q237K229-E233 PolarHBondContact O-N 3.33Å; E230-E233 PolarHBondContact O-N 3.07Å; Y231-E233 VanDerWaalsContact C-N 3.34Å; Y231-E233 PolarHBondContact O-N 2.87Å; E233-K235 VanDerWaalsContact C-N 3.27Å; E233-K235 PolarHBondContact O-N 3.4Å; E233-R236 WeakPolarHBondContact O-CB 3.32Å; E233-R236 PolarHBondContact O-N 2.94Å; E233-Q237 WeakPolarHBondContact O-CG 3.3Å; E233-Q237 PolarHBondContact O-N 3.37Å
234F98.2Very high98.2Very high131 Ų131104.4 Ų104.458%0.57549%0.488SS*.Hα-helixtrans-60.8-39.2174.2-76.3-59.8000111.6E230 Y231 R236 Q237 Q238E230-F234 HydrophobicContact CB-CE2 4.41Å; E230-F234 WeakPolarHBondContact O-CD2 3.44Å; E230-F234 PolarHBondContact O-N 3.36Å; Y231-F234 PolarHBondContact O-N 3.4Å; F234-R236 PolarHBondContact O-N 3.07Å; F234-Q237 PolarHBondContact O-N 2.89Å; F234-Q238 WeakPolarHBondContact O-CB 3.41Å; F234-Q238 PolarHBondContact O-N 2.99Å
235K98.3Very high98.2Very high81 Ų81104.7 Ų104.735%0.35249%0.493SS..Hα-helixtrans-65.1-40177.4-169.966.7-171.4170.10111.9Y231 S232 E233 Q238 L239Y231-K235 VanDerWaalsContact O-CB 3.32Å; Y231-K235 WeakPolarHBondContact O-CB 3.46Å; Y231-K235 PolarHBondContact O-N 3.32Å; S232-K235 PolarHBondContact O-N 3.17Å; E233-K235 VanDerWaalsContact C-N 3.27Å; E233-K235 PolarHBondContact O-N 3.4Å; K235-Q238 PolarHBondContact O-N 3Å; K235-L239 WeakPolarHBondContact O-CG 3.46Å; K235-L239 PolarHBondContact O-N 3.22Å
236R98.4Very high98.2Very high125 Ų125105.6 Ų105.647%0.47249%0.493SS..Hα-helixtrans-60.4-48.6173.1-176.3-173.663.779.84.3111.2S232 E233 F234 Q238 L239 E240S232-R236 PolarHBondContact O-N 3.5Å; E233-R236 WeakPolarHBondContact O-CB 3.32Å; E233-R236 PolarHBondContact O-N 2.94Å; F234-R236 PolarHBondContact O-N 3.07Å; R236-Q238 VanDerWaalsContact C-N 3.31Å; R236-Q238 PolarHBondContact O-N 3.39Å; R236-L239 PolarHBondContact O-N 3.38Å; R236-L239 VanDerWaalsContact O-N 3.17Å; R236-E240 IonicContact CZ-OE1 3.69Å; R236-E240 IonicContact CZ-OE2 3.92Å; R236-E240 IonicContact NH1-OE1 2.61Å; R236-E240 PolarHBondContact NH1-OE1 3.4Å; R236-E240 IonicContact NH1-OE2 2.92Å; R236-E240 PolarHBondContact NH1-OE2 3.4Å; R236-E240 WeakPolarHBondContact O-CG 3.48Å; R236-E240 PolarHBondContact O-N 2.84Å
237Q98.3Very high98.2Very high83 Ų83103.2 Ų103.239%0.38849%0.489SS..Hα-helixtrans-60.1-41.1177.9-69.2173.414.100112E233 F234 L239 E240 L241E233-Q237 WeakPolarHBondContact O-CG 3.3Å; E233-Q237 PolarHBondContact O-N 3.37Å; F234-Q237 PolarHBondContact O-N 2.89Å; Q237-L239 VanDerWaalsContact C-N 3.34Å; Q237-L239 PolarHBondContact O-N 2.9Å; Q237-E240 PolarHBondContact O-N 3.39Å; Q237-L241 WeakPolarHBondContact O-CG 3.39Å; Q237-L241 PolarHBondContact O-N 2.95Å
238Q98.3Very high98.2Very high94 Ų94100.4 Ų100.444%0.43949%0.487SS..Hα-helixtrans-59.8-45.4175.5-173.4-173.412.700111.5F234 K235 R236 L241 D242F234-Q238 WeakPolarHBondContact O-CB 3.41Å; F234-Q238 PolarHBondContact O-N 2.99Å; K235-Q238 PolarHBondContact O-N 3Å; R236-Q238 VanDerWaalsContact C-N 3.31Å; R236-Q238 PolarHBondContact O-N 3.39Å; Q238-L241 PolarHBondContact O-N 3.24Å; Q238-D242 WeakPolarHBondContact O-CB 3.36Å; Q238-D242 PolarHBondContact O-N 3.01Å
239L98.3Very high98.2Very high90 Ų9098.9 Ų98.947%0.47148%0.482SS..Hα-helixtrans-65.2-39.3179.5-70.3170.7000112.1K235 R236 Q237 D242 D243K235-L239 WeakPolarHBondContact O-CG 3.46Å; K235-L239 PolarHBondContact O-N 3.22Å; R236-L239 PolarHBondContact O-N 3.38Å; R236-L239 VanDerWaalsContact O-N 3.17Å; Q237-L239 VanDerWaalsContact C-N 3.34Å; Q237-L239 PolarHBondContact O-N 2.9Å; L239-D242 PolarHBondContact O-N 3.46Å; L239-D243 PolarHBondContact O-N 3.35Å
240E98.3Very high98.1Very high91 Ų9197.8 Ų97.843%0.42548%0.482SS..Hα-helixtrans-61.3-47.2175.2-74.7169.8-176.300111.5R236 Q237 D242 D243 E244R236-E240 IonicContact CZ-OE1 3.69Å; R236-E240 IonicContact CZ-OE2 3.92Å; R236-E240 IonicContact NH1-OE1 2.61Å; R236-E240 PolarHBondContact NH1-OE1 3.4Å; R236-E240 IonicContact NH1-OE2 2.92Å; R236-E240 PolarHBondContact NH1-OE2 3.4Å; R236-E240 WeakPolarHBondContact O-CG 3.48Å; R236-E240 PolarHBondContact O-N 2.84Å; Q237-E240 PolarHBondContact O-N 3.39Å; E240-D242 PolarHBondContact O-N 3.47Å; E240-D243 PolarHBondContact O-N 2.93Å; E240-E244 WeakPolarHBondContact O-CG 3.48Å; E240-E244 PolarHBondContact O-N 3.35Å
241L98.2Very high98Very high109 Ų10998.5 Ų98.557%0.57149%0.485SS*.Hα-helixtrans-63.9-38.9176.6-70.7172.6000112.4Q237 Q238 D243 E244 L245Q237-L241 WeakPolarHBondContact O-CG 3.39Å; Q237-L241 PolarHBondContact O-N 2.95Å; Q238-L241 PolarHBondContact O-N 3.24Å; L241-D243 VanDerWaalsContact C-N 3.31Å; L241-D243 PolarHBondContact O-N 3.02Å; L241-E244 PolarHBondContact O-N 3.47Å; L241-L245 WeakPolarHBondContact O-CB 3.37Å; L241-L245 PolarHBondContact O-N 3.26Å
242D98.3Very high97.9Very high66 Ų6697.9 Ų97.935%0.35349%0.488SS..Hα-helixtrans-63.7-37.6176.1-82.7-10.6000111.6Q238 L239 E240 K246Q238-D242 WeakPolarHBondContact O-CB 3.36Å; Q238-D242 PolarHBondContact O-N 3.01Å; L239-D242 PolarHBondContact O-N 3.46Å; E240-D242 PolarHBondContact O-N 3.47Å; D242-K246 VanDerWaalsContact O-CG 3.25Å; D242-K246 WeakPolarHBondContact O-CG 3.4Å; D242-K246 PolarHBondContact O-N 3.01Å
243D98.3Very high97.9Very high96 Ų96102.2 Ų102.251%0.51349%0.494SS..Hα-helixtrans-73-37.7177.3-74.5-12000112.2L239 E240 L241 K246 S247L239-D243 PolarHBondContact O-N 3.35Å; E240-D243 PolarHBondContact O-N 2.93Å; L241-D243 VanDerWaalsContact C-N 3.31Å; L241-D243 PolarHBondContact O-N 3.02Å; D243-K246 PolarHBondContact O-N 3.32Å; D243-K246 IonicContact OD1-NZ 3.68Å; D243-K246 PolarHBondContact OD1-NZ 3.4Å; D243-S247 WeakPolarHBondContact O-CB 3.42Å; D243-S247 PolarHBondContact O-N 3.47Å
244E97.9Very high97.8Very high124 Ų124103.6 Ų103.658%0.57950%0.495SS*.Hα-helixtrans-60.8-44.7170.2-73.6-176.917800111.6E240 L241 K246 S247 V248E240-E244 WeakPolarHBondContact O-CG 3.48Å; E240-E244 PolarHBondContact O-N 3.35Å; L241-E244 PolarHBondContact O-N 3.47Å; E244-K246 PolarHBondContact O-N 3.37Å; E244-S247 WeakPolarHBondContact O-CB 3.25Å; E244-S247 PolarHBondContact O-N 2.99Å; E244-V248 WeakPolarHBondContact O-CG2 3.43Å; E244-V248 PolarHBondContact O-N 2.92Å
245L98.3Very high97.7Very high114 Ų114100.7 Ų100.760%0.59749%0.49SS*.Hα-helixtrans-60-48.8177.8-167.1167.5000110.7L241 S247 V248 D249L241-L245 WeakPolarHBondContact O-CB 3.37Å; L241-L245 PolarHBondContact O-N 3.26Å; L245-S247 VanDerWaalsContact C-N 3.28Å; L245-S247 PolarHBondContact O-N 3.48Å; L245-V248 PolarHBondContact O-N 2.88Å; L245-D249 PolarHBondContact O-N 2.94Å
246K97.8Very high97.6Very high110 Ų110101.4 Ų101.448%0.47850%0.495SS..Hα-helixtrans-60.1-39.2176.1-70.2168.4-152.2151.10112D242 D243 E244 D249 N250D242-K246 VanDerWaalsContact O-CG 3.25Å; D242-K246 WeakPolarHBondContact O-CG 3.4Å; D242-K246 PolarHBondContact O-N 3.01Å; D243-K246 PolarHBondContact O-N 3.32Å; D243-K246 IonicContact OD1-NZ 3.68Å; D243-K246 PolarHBondContact OD1-NZ 3.4Å; E244-K246 PolarHBondContact O-N 3.37Å; K246-D249 PolarHBondContact O-N 3.18Å; K246-N250 WeakPolarHBondContact O-CB 3.49Å; K246-N250 PolarHBondContact O-N 2.93Å; K246-N250 PolarHBondContact O-ND2 3.43Å
247S98.2Very high97.4Very high61 Ų61100.4 Ų100.443%0.42750%0.498SS..Hα-helixtrans-61.8-47.4177.3-176.80000111.4D243 E244 L245 N250 Q251D243-S247 WeakPolarHBondContact O-CB 3.42Å; D243-S247 PolarHBondContact O-N 3.47Å; E244-S247 WeakPolarHBondContact O-CB 3.25Å; E244-S247 PolarHBondContact O-N 2.99Å; L245-S247 VanDerWaalsContact C-N 3.28Å; L245-S247 PolarHBondContact O-N 3.48Å; S247-N250 PolarHBondContact O-N 3.44Å; S247-Q251 WeakPolarHBondContact O-CG 3.48Å; S247-Q251 PolarHBondContact O-N 3.04Å
248V97.6Very high97Very high91 Ų9199.2 Ų99.255%0.55249%0.492SS*.Hα-helixtrans-64.1-42.9177.6173.50000111.4E244 L245 N250 Q251 M252E244-V248 WeakPolarHBondContact O-CG2 3.43Å; E244-V248 PolarHBondContact O-N 2.92Å; L245-V248 PolarHBondContact O-N 2.88Å; V248-N250 VanDerWaalsContact C-N 3.32Å; V248-N250 PolarHBondContact O-N 3.38Å; V248-Q251 PolarHBondContact O-N 3.28Å; V248-M252 WeakPolarHBondContact O-CB 3.35Å; V248-M252 PolarHBondContact O-N 2.9Å
249D97.8Very high96.6Very high65 Ų6598.8 Ų98.835%0.34849%0.492SS..Hα-helixtrans-60.1-43.4176.4-173.859.1000111.4L245 K246 Q251 M252 R253L245-D249 PolarHBondContact O-N 2.94Å; K246-D249 PolarHBondContact O-N 3.18Å; D249-Q251 PolarHBondContact O-N 2.87Å; D249-M252 PolarHBondContact O-N 3.42Å; D249-M252 VanDerWaalsContact OD1-CE 3.3Å; D249-M252 WeakPolarHBondContact OD1-CE 3.44Å; D249-R253 WeakPolarHBondContact O-CB 3.43Å; D249-R253 PolarHBondContact O-N 3.07Å
250N96.5Very high96.1Very high100 Ų10097.4 Ų97.454%0.53549%0.485SS..Hα-helixtrans-61.2-42.1175.5-73.9-34.1000112.4K246 S247 V248 R253 Y254K246-N250 WeakPolarHBondContact O-CB 3.49Å; K246-N250 PolarHBondContact O-N 2.93Å; K246-N250 PolarHBondContact O-ND2 3.43Å; S247-N250 PolarHBondContact O-N 3.44Å; V248-N250 VanDerWaalsContact C-N 3.32Å; V248-N250 PolarHBondContact O-N 3.38Å; N250-R253 PolarHBondContact O-N 2.91Å; N250-Y254 WeakPolarHBondContact O-CB 3.28Å; N250-Y254 PolarHBondContact O-N 3.26Å
251Q96.8Very high95.4Very high121 Ų121101 Ų10157%0.56550%0.495SS*.Hα-helixtrans-64.2-44.7175.7-71.5-1794.100111.7S247 V248 D249 R253 Y254 C255S247-Q251 WeakPolarHBondContact O-CG 3.48Å; S247-Q251 PolarHBondContact O-N 3.04Å; V248-Q251 PolarHBondContact O-N 3.28Å; D249-Q251 PolarHBondContact O-N 2.87Å; Q251-R253 VanDerWaalsContact C-N 3.3Å; Q251-R253 PolarHBondContact O-N 3.43Å; Q251-Y254 PolarHBondContact O-N 3.2Å; Q251-C255 WeakPolarHBondContact O-CB 3.33Å; Q251-C255 PolarHBondContact O-N 3.39Å; Q251-C255 PolarHBondContact O-SG 3.23Å; Q251-C255 VanDerWaalsContact O-SG 3.38Å
252M96.8Very high94.6Very high117 Ų117101.2 Ų101.258%0.57650%0.496SS*.Hα-helixtrans-58.6-45.6175.8-178.1178.364.300110.7V248 D249 Y254 C255 Q256V248-M252 WeakPolarHBondContact O-CB 3.35Å; V248-M252 PolarHBondContact O-N 2.9Å; D249-M252 PolarHBondContact O-N 3.42Å; D249-M252 VanDerWaalsContact OD1-CE 3.3Å; D249-M252 WeakPolarHBondContact OD1-CE 3.44Å; M252-Y254 PolarHBondContact O-N 2.86Å; M252-C255 PolarHBondContact O-N 2.84Å; M252-Q256 WeakPolarHBondContact O-CB 3.48Å; M252-Q256 PolarHBondContact O-N 3.48Å
253R96.9Very high93.5Very high162 Ų162103.2 Ų103.261%0.61150%0.502SS*.Hα-helixtrans-63.6-41.2178.3-149.7174.4-166.3167.44.2112D249 N250 Q251 Q256 I257D249-R253 WeakPolarHBondContact O-CB 3.43Å; D249-R253 PolarHBondContact O-N 3.07Å; N250-R253 PolarHBondContact O-N 2.91Å; Q251-R253 VanDerWaalsContact C-N 3.3Å; Q251-R253 PolarHBondContact O-N 3.43Å; R253-Q256 PolarHBondContact O-N 2.86Å; R253-I257 VanDerWaalsContact O-CG1 3.28Å; R253-I257 WeakPolarHBondContact O-CG1 3.43Å; R253-I257 PolarHBondContact O-N 3.48Å
254Y96.7Very high92.4Very high144 Ų144106.9 Ų106.957%0.56551%0.513SS*.Hα-helixtrans-60.7-50.4173.9175.8-97.4000111.6N250 Q251 M252 Q256 I257 Q258N250-Y254 WeakPolarHBondContact O-CB 3.28Å; N250-Y254 PolarHBondContact O-N 3.26Å; Q251-Y254 PolarHBondContact O-N 3.2Å; M252-Y254 PolarHBondContact O-N 2.86Å; Y254-Q256 VanDerWaalsContact C-N 3.29Å; Y254-Q256 PolarHBondContact O-N 3.27Å; Y254-I257 PolarHBondContact O-N 2.96Å; Y254-Q258 HydrophobicContact CD1-CG 4.29Å; Y254-Q258 HydrophobicContact CE1-CG 3.85Å; Y254-Q258 HydrophobicContact CE2-CG 4.24Å; Y254-Q258 WeakPolarHBondContact O-CG 3.37Å; Y254-Q258 PolarHBondContact O-N 3.49Å
255C95.8Very high91.2Very high71 Ų71104.5 Ų104.548%0.4851%0.507SS..Hα-helixtrans-58.9-41.5176.8-72.20000111.5Q251 M252 I257 Q258 L259Q251-C255 WeakPolarHBondContact O-CB 3.33Å; Q251-C255 PolarHBondContact O-N 3.39Å; Q251-C255 PolarHBondContact O-SG 3.23Å; Q251-C255 VanDerWaalsContact O-SG 3.38Å; M252-C255 PolarHBondContact O-N 2.84Å; C255-I257 PolarHBondContact O-N 3.31Å; C255-Q258 PolarHBondContact O-N 3.2Å; C255-L259 WeakPolarHBondContact O-CB 3.3Å; C255-L259 WeakPolarHBondContact O-CG 3.43Å; C255-L259 PolarHBondContact O-N 3.33Å
256Q95.3Very high89.8Confident95 Ų95101 Ų10144%0.44449%0.489SS..Hα-helixtrans-61.4-44.7176.5-169.96619.600111.8M252 R253 Y254 Q258 L259 D260M252-Q256 WeakPolarHBondContact O-CB 3.48Å; M252-Q256 PolarHBondContact O-N 3.48Å; R253-Q256 PolarHBondContact O-N 2.86Å; Y254-Q256 VanDerWaalsContact C-N 3.29Å; Y254-Q256 PolarHBondContact O-N 3.27Å; Q256-Q258 VanDerWaalsContact C-N 3.35Å; Q256-Q258 PolarHBondContact O-N 2.98Å; Q256-L259 PolarHBondContact O-N 3.49Å; Q256-D260 WeakPolarHBondContact O-CB 3.42Å; Q256-D260 PolarHBondContact O-N 2.96Å
257I94.6Very high88.6Confident104 Ų104100.7 Ų100.753%0.53350%0.496SS..Hα-helixtrans-62.9-42.3176.6-69.4165000111R253 Y254 C255 D260 R261R253-I257 VanDerWaalsContact O-CG1 3.28Å; R253-I257 WeakPolarHBondContact O-CG1 3.43Å; R253-I257 PolarHBondContact O-N 3.48Å; Y254-I257 PolarHBondContact O-N 2.96Å; C255-I257 PolarHBondContact O-N 3.31Å; I257-D260 PolarHBondContact O-N 3.15Å; I257-R261 WeakPolarHBondContact O-CB 3.21Å; I257-R261 PolarHBondContact O-N 2.82Å
258Q90.7Very high87.3Confident59 Ų5999.7 Ų99.728%0.27648%0.484SS..Hα-helixtrans-65.3-42.2176.8-65.7-56-29.100111.5Y254 C255 Q256 D260 R261 L262Y254-Q258 HydrophobicContact CD1-CG 4.29Å; Y254-Q258 HydrophobicContact CE1-CG 3.85Å; Y254-Q258 HydrophobicContact CE2-CG 4.24Å; Y254-Q258 WeakPolarHBondContact O-CG 3.37Å; Y254-Q258 PolarHBondContact O-N 3.49Å; C255-Q258 PolarHBondContact O-N 3.2Å; Q256-Q258 VanDerWaalsContact C-N 3.35Å; Q256-Q258 PolarHBondContact O-N 2.98Å; Q258-D260 VanDerWaalsContact C-N 3.35Å; Q258-D260 PolarHBondContact O-N 3.38Å; Q258-R261 WeakPolarHBondContact O-CB 3.38Å; Q258-R261 PolarHBondContact O-N 3.38Å; Q258-L262 WeakPolarHBondContact O-CB 3.32Å; Q258-L262 VanDerWaalsContact O-CG 3.3Å; Q258-L262 WeakPolarHBondContact O-CG 3.45Å; Q258-L262 PolarHBondContact O-N 2.85Å
259L89.9Confident86.1Confident84 Ų8499.3 Ų99.344%0.4448%0.479SS..Hα-helixtrans-60.6-44.4174.2-75.4175000111.4C255 Q256 R261 L262 K263C255-L259 WeakPolarHBondContact O-CB 3.3Å; C255-L259 WeakPolarHBondContact O-CG 3.43Å; C255-L259 PolarHBondContact O-N 3.33Å; Q256-L259 PolarHBondContact O-N 3.49Å; L259-R261 VanDerWaalsContact C-N 3.31Å; L259-R261 PolarHBondContact O-N 3.3Å; L259-L262 PolarHBondContact O-N 3.24Å; L259-K263 WeakPolarHBondContact O-CB 3.3Å; L259-K263 VanDerWaalsContact O-CG 3.24Å; L259-K263 WeakPolarHBondContact O-CG 3.42Å; L259-K263 PolarHBondContact O-N 2.88Å
260D86.9Confident84.8Confident61 Ų61100 Ų10033%0.32649%0.494SS..Hα-helixtrans-64.6-36.9177-74.4-16.4000111.8Q256 I257 Q258 K264Q256-D260 WeakPolarHBondContact O-CB 3.42Å; Q256-D260 PolarHBondContact O-N 2.96Å; I257-D260 PolarHBondContact O-N 3.15Å; Q258-D260 VanDerWaalsContact C-N 3.35Å; Q258-D260 PolarHBondContact O-N 3.38Å; D260-K264 WeakPolarHBondContact O-CB 3.47Å; D260-K264 WeakPolarHBondContact O-CG 3.32Å; D260-K264 PolarHBondContact O-N 3.5Å
261R84.9Confident84Confident167 Ų16798.2 Ų98.263%0.6349%0.487SS*.Hα-helixtrans-63.5-48.1173.4-173.4179.6-179.9-178.51110.9I257 Q258 L259 K263 K264 T265I257-R261 WeakPolarHBondContact O-CB 3.21Å; I257-R261 PolarHBondContact O-N 2.82Å; Q258-R261 WeakPolarHBondContact O-CB 3.38Å; Q258-R261 PolarHBondContact O-N 3.38Å; L259-R261 VanDerWaalsContact C-N 3.31Å; L259-R261 PolarHBondContact O-N 3.3Å; R261-K263 PolarHBondContact O-N 2.97Å; R261-K264 PolarHBondContact O-N 3.27Å; R261-T265 WeakPolarHBondContact O-CG2 3.24Å; R261-T265 PolarHBondContact O-N 2.92Å; R261-T265 PolarHBondContact O-OG1 3.37Å
262L81.1Confident83.3Confident114 Ų11493.2 Ų93.260%0.59746%0.463SS*.Hα-helixtrans-63.2-40.9178.8-70.6173.5000112Q258 L259 T265Q258-L262 WeakPolarHBondContact O-CB 3.32Å; Q258-L262 VanDerWaalsContact O-CG 3.3Å; Q258-L262 WeakPolarHBondContact O-CG 3.45Å; Q258-L262 PolarHBondContact O-N 2.85Å; L259-L262 PolarHBondContact O-N 3.24Å; L262-T265 WeakPolarHBondContact CA-OG1 3.35Å; L262-T265 CarbonylContact O-C 3.59Å; L262-T265 PolarHBondContact O-N 3.44Å; L262-T265 PolarHBondContact O-OG1 2.84Å
263K75.4Confident82.8Confident107 Ų10792 Ų9247%0.46546%0.456SS..Hα-helixtrans-62.1-41.3174.2-75.7173.8175.8177.30112L259 R261 Y446L259-K263 WeakPolarHBondContact O-CB 3.3Å; L259-K263 VanDerWaalsContact O-CG 3.24Å; L259-K263 WeakPolarHBondContact O-CG 3.42Å; L259-K263 PolarHBondContact O-N 2.88Å; R261-K263 PolarHBondContact O-N 2.97Å; K263-Y446 WeakPolarHBondContact CD-OH 3.35Å; K263-Y446 HydrophobicContact CG-CE2 4.46Å; K263-Y446 WeakPolarHBondContact CG-OH 3.35Å
264K75.5Confident82.3Confident174 Ų17484.7 Ų84.776%0.75743%0.429SS*.Hα-helixtrans-69.9-33.4176.8-73.6170.8-175.7175.70112.1D260 R261 N266D260-K264 WeakPolarHBondContact O-CB 3.47Å; D260-K264 WeakPolarHBondContact O-CG 3.32Å; D260-K264 PolarHBondContact O-N 3.5Å; R261-K264 PolarHBondContact O-N 3.27Å; K264-N266 VanDerWaalsContact C-N 3.29Å; K264-N266 PolarHBondContact O-N 2.91Å
265T71.7Confident81.9Confident73 Ų7384.1 Ų84.145%0.44843%0.426SS..  trans-80.275.7175.156.10000110.9R261 L262 V267R261-T265 WeakPolarHBondContact O-CG2 3.24Å; R261-T265 PolarHBondContact O-N 2.92Å; R261-T265 PolarHBondContact O-OG1 3.37Å; L262-T265 WeakPolarHBondContact CA-OG1 3.35Å; L262-T265 CarbonylContact O-C 3.59Å; L262-T265 PolarHBondContact O-N 3.44Å; L262-T265 PolarHBondContact O-OG1 2.84Å; T265-V267 PolarHBondContact O-N 3.34Å
266N68.6Low81.5Confident41 Ų4185.6 Ų85.622%0.21943%0.425CS..  trans-68.9114.5168.5-178.7-13000109.2K264 F268 N269 A270 T442K264-N266 VanDerWaalsContact C-N 3.29Å; K264-N266 PolarHBondContact O-N 2.91Å; N266-F268 PolarHBondContact O-N 3Å; N266-F268 VanDerWaalsContact O-N 3.14Å; N266-F268 PolarHBondContact OD1-N 3.37Å; N266-F268 VanDerWaalsContact OD1-N 3.1Å; N266-N269 HydrophobicContact CB-CB 4.16Å; N266-N269 PolarHBondContact O-N 2.92Å; N266-A270 PolarHBondContact O-N 3.1Å; N266-T442 VanDerWaalsContact ND2-CB 3.26Å; N266-T442 WeakPolarHBondContact ND2-CB 3.29Å; N266-T442 WeakPolarHBondContact ND2-CG2 3.49Å
267V73.8Confident81Confident103 Ų10384.2 Ų84.262%0.62443%0.426SS*.Hα-helixtrans-51.9-39.3-177.6-179.60000111.3T265 A270 T271T265-V267 PolarHBondContact O-N 3.34Å; V267-A270 PolarHBondContact O-N 3.14Å; V267-T271 HydrophobicContact CG1-CG2 4.29Å; V267-T271 WeakPolarHBondContact O-CB 3.29Å; V267-T271 VanDerWaalsContact O-CG2 3.29Å; V267-T271 WeakPolarHBondContact O-CG2 3.48Å; V267-T271 PolarHBondContact O-N 3.19Å; V267-T271 PolarHBondContact O-OG1 3.04Å
268F70.9Confident80.5Confident40 Ų4082 Ų8218%0.17543%0.43CS..Hα-helixtrans-70.6-37.9-179.6-76.7-76000113.6N266 A270 T271 F272 A314 K318 L438 T442N266-F268 PolarHBondContact O-N 3Å; N266-F268 VanDerWaalsContact O-N 3.14Å; N266-F268 PolarHBondContact OD1-N 3.37Å; N266-F268 VanDerWaalsContact OD1-N 3.1Å; F268-A270 VanDerWaalsContact C-N 3.33Å; F268-T271 PolarHBondContact O-OG1 3Å; F268-F272 PolarHBondContact O-N 3.46Å; F268-A314 HydrophobicContact CE1-CB 4.41Å; F268-K318 HydrophobicContact CE2-CD 3.55Å; F268-K318 HydrophobicContact CZ-CD 3.53Å; F268-L438 HydrophobicContact CB-CD1 3.66Å; F268-L438 HydrophobicContact CB-CG 4.31Å; F268-L438 HydrophobicContact CD1-CD1 3.97Å; F268-L438 HydrophobicContact CG-CD1 4.03Å; F268-T442 HydrophobicContact CB-CG2 4.07Å; F268-T442 HydrophobicContact CD2-CG2 4.35Å; F268-T442 HydrophobicContact CG-CG2 4.49Å
269N71.8Confident80Confident83 Ų8384.9 Ų84.944%0.44444%0.443SS..Hα-helixtrans-73.3-29.1174.6-74.5-17.9000111.8N266N266-N269 HydrophobicContact CB-CB 4.16Å; N266-N269 PolarHBondContact O-N 2.92Å
270A71.4Confident79.8Confident80 Ų8081.6 Ų81.666%0.66143%0.425SS*.Hα-helixtrans-74.2-35.2175.500000112.2N266 V267 F268N266-A270 PolarHBondContact O-N 3.1Å; V267-A270 PolarHBondContact O-N 3.14Å; F268-A270 VanDerWaalsContact C-N 3.33Å
271T78.6Confident79.8Confident63 Ų6378.8 Ų78.839%0.38741%0.41SS..Hα-helixtrans-87.7-30-179.8580000113.9V267 F268 N284V267-T271 HydrophobicContact CG1-CG2 4.29Å; V267-T271 WeakPolarHBondContact O-CB 3.29Å; V267-T271 VanDerWaalsContact O-CG2 3.29Å; V267-T271 WeakPolarHBondContact O-CG2 3.48Å; V267-T271 PolarHBondContact O-N 3.19Å; V267-T271 PolarHBondContact O-OG1 3.04Å; F268-T271 PolarHBondContact O-OG1 3Å; T271-N284 PolarHBondContact O-ND2 3.18Å; T271-N284 PolarHBondContact O-OD1 3.28Å
272F83.3Confident80Confident16 Ų1671.4 Ų71.47%0.0738%0.384CS..  trans-131.383.6-178.3-57.6-72.6000111.1F268 I274 N284 L310 L311F268-F272 PolarHBondContact O-N 3.46Å; F272-I274 PolarHBondContact O-N 3.29Å; F272-N284 WeakPolarHBondContact CA-OD1 3.26Å; F272-L310 HydrophobicContact CE1-CB 4.33Å; F272-L310 HydrophobicContact CE1-CD2 3.93Å; F272-L310 HydrophobicContact CE1-CG 4.08Å; F272-L310 HydrophobicContact CZ-CB 4.46Å; F272-L310 HydrophobicContact CZ-CD2 3.86Å; F272-L310 HydrophobicContact CZ-CG 3.81Å; F272-L311 HydrophobicContact CB-CD1 3.91Å; F272-L311 HydrophobicContact CD1-CB 4.1Å; F272-L311 HydrophobicContact CD2-CB 4.5Å; F272-L311 HydrophobicContact CD2-CD1 3.63Å; F272-L311 HydrophobicContact CE1-CB 4.33Å; F272-L311 HydrophobicContact CE2-CD1 4.3Å; F272-L311 HydrophobicContact CG-CB 4.2Å; F272-L311 HydrophobicContact CG-CD1 3.76Å; F272-L311 HydrophobicContact CG-CG 4.46Å
273H84.3Confident80.3Confident91 Ų9166 Ų6642%0.42136%0.356SS..  trans-81.897.5177.5-169.269.1000110.8I283 N284H273-I283 WeakPolarHBondContact O-CA 3.41Å; H273-N284 PolarHBondContact N-OD1 2.77Å; H273-N284 PolarHBondContact O-N 3.41Å
274I87.7Confident80.8Confident9 Ų962.8 Ų62.85%0.04634%0.344CS..EExtended strand (participates in β ladder)trans-87.9118.6171.9-59.3170.4000109.8F272 T282 I283 L311 L431 L434 K435F272-I274 PolarHBondContact O-N 3.29Å; I274-T282 CarbonylContact C-O 3.57Å; I274-T282 WeakPolarHBondContact CA-O 3.39Å; I274-I283 HydrophobicContact CG1-CB 4.45Å; I274-I283 HydrophobicContact CG1-CD1 4.16Å; I274-I283 HydrophobicContact CG1-CG1 4.08Å; I274-L311 HydrophobicContact CD1-CD2 3.52Å; I274-L311 HydrophobicContact CG1-CD2 4.44Å; I274-L431 HydrophobicContact CG2-CB 4.05Å; I274-L434 HydrophobicContact CD1-CB 4.24Å; I274-K435 HydrophobicContact CB-CB 4.21Å; I274-K435 HydrophobicContact CB-CD 4.3Å; I274-K435 HydrophobicContact CB-CG 4.47Å; I274-K435 HydrophobicContact CD1-CB 4.12Å; I274-K435 HydrophobicContact CG2-CB 4.1Å; I274-K435 HydrophobicContact CG2-CD 4.26Å; I274-K435 PolarHBondContact O-NZ 2.99Å
275W88.1Confident81.4Confident132 Ų13260.9 Ų60.950%0.534%0.342SS..EExtended strand (participates in β ladder)trans-134.9-173.3177.3-155-116.8000111.6T282 K435W275-T282 VanDerWaalsContact C-OG1 3.27Å; W275-T282 PolarHBondContact N-O 3.14Å; W275-T282 PolarHBondContact O-N 3.32Å; W275-T282 PolarHBondContact O-OG1 3.36Å; W275-K435 VanDerWaalsContact CE3-NZ 3.26Å; W275-K435 VanDerWaalsContact CZ3-NZ 3.33Å
276H86.2Confident82.3Confident101 Ų10161 Ų6147%0.46834%0.336SS..EExtended strand (participates in β ladder)trans-127.6138.5173.662.982.3000110.5F280H276-F280 WeakPolarHBondContact CA-O 3.4Å
277S85.2Confident83.3Confident66 Ų6662.7 Ų62.746%0.46234%0.34SS..EExtended strand (participates in β ladder)trans-120.294.2172.3-172.70000108.1Q279 F280S277-Q279 PolarHBondContact O-N 3.23Å; S277-Q279 VanDerWaalsContact O-N 3.15Å; S277-F280 PolarHBondContact N-O 3.13Å; S277-F280 PolarHBondContact O-N 3.47Å
278G84.6Confident83.9Confident59 Ų5957.8 Ų57.861%0.60831%0.31SS*.THydrogen-bonded Turntrans58-113.8-172.200000112.9K428G278-K428 PolarHBondContact O-NZ 2.94Å
279Q80.8Confident84.6Confident119 Ų11955.9 Ų55.956%0.55630%0.302SS*.THydrogen-bonded Turntrans-83.4-13.2179.4-58.8-166.115.900113.6S277 L291 K428S277-Q279 PolarHBondContact O-N 3.23Å; S277-Q279 VanDerWaalsContact O-N 3.15Å; Q279-L291 HydrophobicContact CB-CD1 4.43Å; Q279-L291 HydrophobicContact CB-CD2 4.43Å; Q279-K428 WeakPolarHBondContact O-CD 3.31Å
280F85Confident85.2Confident14 Ų1454.9 Ų54.96%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-91.7145.4-179.9-57.9-82.8000112.2H276 S277 R287 L291 V294 V296 T424H276-F280 WeakPolarHBondContact CA-O 3.4Å; S277-F280 PolarHBondContact N-O 3.13Å; S277-F280 PolarHBondContact O-N 3.47Å; F280-R287 HydrophobicContact CB-CB 4.35Å; F280-R287 HydrophobicContact CB-CG 4.41Å; F280-R287 HydrophobicContact CD1-CB 4.49Å; F280-R287 HydrophobicContact CG-CB 4.41Å; F280-L291 HydrophobicContact CD1-CD1 4.04Å; F280-L291 HydrophobicContact CE1-CD1 3.32Å; F280-L291 HydrophobicContact CE1-CG 4.47Å; F280-L291 HydrophobicContact CE2-CD1 3.95Å; F280-L291 HydrophobicContact CZ-CB 3.93Å; F280-L291 HydrophobicContact CZ-CD1 3.29Å; F280-L291 HydrophobicContact CZ-CG 4.12Å; F280-V294 HydrophobicContact CE2-CB 4.4Å; F280-V294 HydrophobicContact CZ-CB 4.29Å; F280-V296 HydrophobicContact CE1-CG2 3.97Å; F280-V296 HydrophobicContact CZ-CG2 4.04Å; F280-T424 HydrophobicContact CD1-CG2 3.49Å; F280-T424 VanDerWaalsContact CD1-CG2 3.49Å; F280-T424 HydrophobicContact CE1-CG2 3.93Å; F280-T424 HydrophobicContact CG-CG2 4.25Å
281G87.1Confident85.9Confident2 Ų251.5 Ų51.52%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-84.2137.9157.900000109.6L288G281-L288 PolarHBondContact O-N 3.44Å
282T89Confident85.9Confident13 Ų1352.9 Ų52.98%0.0827%0.272CS..EExtended strand (participates in β ladder)trans-120.3137.1179.253.30000110.9I274 W275 F286 R287I274-T282 CarbonylContact C-O 3.57Å; I274-T282 WeakPolarHBondContact CA-O 3.39Å; W275-T282 VanDerWaalsContact C-OG1 3.27Å; W275-T282 PolarHBondContact N-O 3.14Å; W275-T282 PolarHBondContact O-N 3.32Å; W275-T282 PolarHBondContact O-OG1 3.36Å; T282-F286 CarbonylContact C-O 3.54Å; T282-F286 WeakPolarHBondContact CA-O 3.3Å; T282-R287 HydrophobicContact CG2-CB 4.43Å; T282-R287 HydrophobicContact CG2-CG 3.72Å
283I88.4Confident85.9Confident0 Ų056.7 Ų56.70%030%0.301CS..EExtended strand (participates in β ladder)trans-122.6122.6172.1-173.3168.2000109H273 I274 N285 F286 A304 Q307 L311 L431H273-I283 WeakPolarHBondContact O-CA 3.41Å; I274-I283 HydrophobicContact CG1-CB 4.45Å; I274-I283 HydrophobicContact CG1-CD1 4.16Å; I274-I283 HydrophobicContact CG1-CG1 4.08Å; I283-N285 PolarHBondContact O-N 3.16Å; I283-N285 VanDerWaalsContact O-N 3.15Å; I283-F286 PolarHBondContact N-O 2.94Å; I283-F286 WeakPolarHBondContact O-CB 3.29Å; I283-F286 WeakPolarHBondContact O-CD2 3.41Å; I283-F286 PolarHBondContact O-N 3.38Å; I283-A304 HydrophobicContact CG2-CB 3.92Å; I283-Q307 HydrophobicContact CD1-CB 3.88Å; I283-Q307 HydrophobicContact CG1-CB 4.1Å; I283-Q307 HydrophobicContact CG2-CB 4.02Å; I283-L311 HydrophobicContact CD1-CD2 4.25Å; I283-L431 HydrophobicContact CB-CD2 4.48Å
284N85.4Confident85.8Confident40 Ų4055.2 Ų55.221%0.21430%0.298CS..THydrogen-bonded Turntrans49.141.2-175.7-69.5-18.9000112.9T271 F272 H273 F286 Q307T271-N284 PolarHBondContact O-ND2 3.18Å; T271-N284 PolarHBondContact O-OD1 3.28Å; F272-N284 WeakPolarHBondContact CA-OD1 3.26Å; H273-N284 PolarHBondContact N-OD1 2.77Å; H273-N284 PolarHBondContact O-N 3.41Å; N284-F286 VanDerWaalsContact C-N 3.28Å; N284-F286 HydrophobicContact CB-CD2 4.38Å; N284-F286 HydrophobicContact CB-CE2 4.49Å; N284-F286 PolarHBondContact O-N 3.01Å; N284-Q307 PolarHBondContact ND2-OE1 3.25Å; N284-Q307 VanDerWaalsContact ND2-OE1 3.16Å
285N87.4Confident85.5Confident134 Ų13458.8 Ų58.872%0.71732%0.322SS*.THydrogen-bonded Turntrans70.71.6-175.9-53.7-35.4000117I283I283-N285 PolarHBondContact O-N 3.16Å; I283-N285 VanDerWaalsContact O-N 3.15Å
286F90.1Very high85.4Confident74 Ų7452.5 Ų52.533%0.32530%0.298SS..EExtended strand (participates in β ladder)trans-86.9128.2173.1-56.7-65.8000111.4T282 I283 N284 E300 A303 A304 Q307T282-F286 CarbonylContact C-O 3.54Å; T282-F286 WeakPolarHBondContact CA-O 3.3Å; I283-F286 PolarHBondContact N-O 2.94Å; I283-F286 WeakPolarHBondContact O-CB 3.29Å; I283-F286 WeakPolarHBondContact O-CD2 3.41Å; I283-F286 PolarHBondContact O-N 3.38Å; N284-F286 VanDerWaalsContact C-N 3.28Å; N284-F286 HydrophobicContact CB-CD2 4.38Å; N284-F286 HydrophobicContact CB-CE2 4.49Å; N284-F286 PolarHBondContact O-N 3.01Å; F286-E300 HydrophobicContact CB-CG 4.24Å; F286-E300 HydrophobicContact CD1-CG 3.96Å; F286-A303 HydrophobicContact CD1-CB 4.16Å; F286-A303 HydrophobicContact CD2-CB 4.36Å; F286-A303 HydrophobicContact CE1-CB 4.2Å; F286-A303 HydrophobicContact CE2-CB 4.4Å; F286-A303 HydrophobicContact CG-CB 4.24Å; F286-A303 HydrophobicContact CZ-CB 4.32Å; F286-A304 HydrophobicContact CB-CB 3.74Å; F286-Q307 HydrophobicContact CD2-CG 4.18Å; F286-Q307 HydrophobicContact CE2-CG 4.3Å
287R89.9Confident85.4Confident78 Ų7854 Ų5429%0.29431%0.306SS..EExtended strand (participates in β ladder)trans-79.5122.4177.9-65.5168.6-68.3179.32.9110.8F280 T282 G289 V296 E300F280-R287 HydrophobicContact CB-CB 4.35Å; F280-R287 HydrophobicContact CB-CG 4.41Å; F280-R287 HydrophobicContact CD1-CB 4.49Å; F280-R287 HydrophobicContact CG-CB 4.41Å; T282-R287 HydrophobicContact CG2-CB 4.43Å; T282-R287 HydrophobicContact CG2-CG 3.72Å; R287-G289 PolarHBondContact O-N 3.21Å; R287-V296 HydrophobicContact CB-CG1 4.33Å; R287-V296 HydrophobicContact CB-CG2 4.29Å; R287-E300 VanDerWaalsContact CB-OE1 3.3Å; R287-E300 WeakPolarHBondContact CB-OE1 3.44Å; R287-E300 WeakPolarHBondContact CG-OE1 3.38Å; R287-E300 IonicContact CZ-OE1 2.66Å; R287-E300 IonicContact CZ-OE2 3.59Å; R287-E300 PolarHBondContact N-OE1 3.44Å; R287-E300 IonicContact NE-OE1 3.54Å; R287-E300 PolarHBondContact NE-OE1 3.46Å; R287-E300 IonicContact NE-OE2 3.82Å; R287-E300 IonicContact NH2-OE1 2.72Å; R287-E300 IonicContact NH2-OE2 2.87Å; R287-E300 PolarHBondContact NH2-OE2 2.96Å
288L87.2Confident85.5Confident0 Ų052.7 Ų52.70%029%0.29CS..EExtended strand (participates in β ladder)trans-97.592176.8-168.170.1000109.8G281 I301 A304 W305 L427 M430 L431G281-L288 PolarHBondContact O-N 3.44Å; L288-I301 HydrophobicContact CD1-CG2 4.48Å; L288-A304 HydrophobicContact CB-CB 4.04Å; L288-A304 HydrophobicContact CD1-CB 3.58Å; L288-A304 HydrophobicContact CG-CB 4.38Å; L288-W305 HydrophobicContact CD1-CD2 4.03Å; L288-W305 HydrophobicContact CD1-CG 3.94Å; L288-L427 HydrophobicContact CD2-CB 4.04Å; L288-L427 HydrophobicContact CD2-CD2 4.24Å; L288-L427 HydrophobicContact CG-CB 4.14Å; L288-L427 HydrophobicContact CG-CD1 4.16Å; L288-M430 HydrophobicContact CD2-CE 3.76Å; L288-L431 HydrophobicContact CB-CD1 3.8Å; L288-L431 HydrophobicContact CD2-CD1 3.64Å; L288-L431 HydrophobicContact CD2-CD2 4.14Å; L288-L431 HydrophobicContact CD2-CG 3.76Å; L288-L431 HydrophobicContact CG-CD1 4.36Å
289G85.8Confident85.7Confident0 Ų054.8 Ų54.80%029%0.288CS..  trans147.5176.7177.400000112.1R287 V296 T424R287-G289 PolarHBondContact O-N 3.21Å; G289-V296 WeakPolarHBondContact O-CB 3.11Å; G289-V296 WeakPolarHBondContact O-CG2 3.33Å; G289-T424 WeakPolarHBondContact CA-OG1 3.43Å
290R84.1Confident86.2Confident62 Ų6251 Ų5123%0.23427%0.27CS..  trans-142.4140.2178.1-170.5176.7173.3106.6-2.5109V296 I301 E420 W423 T424R290-V296 PolarHBondContact NH1-O 3.34Å; R290-I301 HydrophobicContact CB-CD1 4.37Å; R290-E420 IonicContact NE-OE1 3.57Å; R290-E420 CarbonylContact O-C 3.51Å; R290-E420 WeakPolarHBondContact O-CB 3.46Å; R290-E420 VanDerWaalsContact O-O 3.1Å; R290-W423 HydrophobicContact CB-CZ3 4.06Å; R290-T424 PolarHBondContact N-OG1 3.18Å; R290-T424 PolarHBondContact O-OG1 2.68Å
291L85.2Confident86.3Confident8 Ų850.4 Ų50.44%0.04227%0.267CS..BIsolated β-bridgetrans-122.7153.1171.5-92.583.6000109.9Q279 F280 S293 V294 E421 T424Q279-L291 HydrophobicContact CB-CD1 4.43Å; Q279-L291 HydrophobicContact CB-CD2 4.43Å; F280-L291 HydrophobicContact CD1-CD1 4.04Å; F280-L291 HydrophobicContact CE1-CD1 3.32Å; F280-L291 HydrophobicContact CE1-CG 4.47Å; F280-L291 HydrophobicContact CE2-CD1 3.95Å; F280-L291 HydrophobicContact CZ-CB 3.93Å; F280-L291 HydrophobicContact CZ-CD1 3.29Å; F280-L291 HydrophobicContact CZ-CG 4.12Å; L291-S293 PolarHBondContact O-N 2.84Å; L291-V294 PolarHBondContact N-O 3.19Å; L291-V294 CarbonylContact O-C 3.46Å; L291-V294 PolarHBondContact O-N 2.79Å; L291-V294 VanDerWaalsContact O-N 3.15Å; L291-V294 VanDerWaalsContact O-O 3.04Å; L291-E421 HydrophobicContact CG-CG 4.4Å; L291-T424 HydrophobicContact CD1-CG2 3.72Å
292P80.1Confident86.5Confident93 Ų9350.5 Ų50.560%0.60427%0.267SS*.THydrogen-bonded Turntrans-58.9-32174.6-24.634.6000113.1
293S81.3Confident86.5Confident95 Ų9550.1 Ų50.166%0.66427%0.266SS*.THydrogen-bonded Turntrans-80.4-25.9178.955.30000114.1L291L291-S293 PolarHBondContact O-N 2.84Å
294V83.6Confident86.7Confident60 Ų6050.1 Ų50.136%0.36427%0.266SS..BIsolated β-bridgetrans-136.590.7-178.9-176.10000108.5F280 L291 V296F280-V294 HydrophobicContact CE2-CB 4.4Å; F280-V294 HydrophobicContact CZ-CB 4.29Å; L291-V294 PolarHBondContact N-O 3.19Å; L291-V294 CarbonylContact O-C 3.46Å; L291-V294 PolarHBondContact O-N 2.79Å; L291-V294 VanDerWaalsContact O-N 3.15Å; L291-V294 VanDerWaalsContact O-O 3.04Å; V294-V296 PolarHBondContact O-N 2.95Å
295P81.3Confident86.9Confident84 Ų8448.2 Ų48.255%0.54526%0.256SS..  trans-75.297.1-18029.8-33.3000110
296V85.7Confident87.1Confident1 Ų142 Ų421%0.00622%0.223CC..  trans-67.9138.3172.7-176.80000109.8F280 R287 G289 R290 V294 E300 I301F280-V296 HydrophobicContact CE1-CG2 3.97Å; F280-V296 HydrophobicContact CZ-CG2 4.04Å; R287-V296 HydrophobicContact CB-CG1 4.33Å; R287-V296 HydrophobicContact CB-CG2 4.29Å; G289-V296 WeakPolarHBondContact O-CB 3.11Å; G289-V296 WeakPolarHBondContact O-CG2 3.33Å; R290-V296 PolarHBondContact NH1-O 3.34Å; V294-V296 PolarHBondContact O-N 2.95Å; V296-E300 HydrophobicContact CG1-CB 3.91Å; V296-E300 HydrophobicContact CG1-CG 4.2Å; V296-E300 WeakPolarHBondContact CG1-OE2 3.35Å; V296-I301 HydrophobicContact CB-CD1 4.35Å; V296-I301 HydrophobicContact CB-CG1 4.41Å; V296-I301 HydrophobicContact CG1-CD1 4.35Å; V296-I301 HydrophobicContact CG1-CG1 3.89Å
297E87.1Confident87.1Confident133 Ų13340.8 Ų40.862%0.62122%0.219SC*.  trans-68.2143.5177.4-67.8-172.7176.800111.6N299 E300 I301E297-N299 PolarHBondContact O-N 2.96Å; E297-E300 WeakPolarHBondContact O-CB 3.35Å; E297-E300 PolarHBondContact O-N 2.91Å; E297-I301 PolarHBondContact O-N 3.28Å
298W86.3Confident87.1Confident37 Ų3737.1 Ų37.114%0.1421%0.205CC..Hα-helixtrans-62.5-30.4179.8-74.899.8000112.9E300 I301 N302 C351 W359 W423W298-E300 VanDerWaalsContact C-N 3.31Å; W298-E300 PolarHBondContact O-N 3.48Å; W298-I301 HydrophobicContact CD2-CD1 4.37Å; W298-I301 HydrophobicContact CE3-CB 4.38Å; W298-I301 HydrophobicContact CE3-CD1 4.06Å; W298-I301 HydrophobicContact CE3-CG2 4.27Å; W298-I301 HydrophobicContact CH2-CD1 4.33Å; W298-I301 HydrophobicContact CZ3-CD1 4.08Å; W298-I301 HydrophobicContact CZ3-CG2 4.17Å; W298-I301 PolarHBondContact O-N 3.43Å; W298-N302 WeakPolarHBondContact O-CB 3.32Å; W298-N302 PolarHBondContact O-N 3.09Å; W298-N302 PolarHBondContact O-ND2 3.23Å; W298-N302 PolarHBondContact O-OD1 2.88Å; W298-C351 HydrophobicContact CD2-CB 4.41Å; W298-C351 HydrophobicContact CE3-CB 3.74Å; W298-C351 HydrophobicContact CZ3-CB 3.98Å; W298-W359 HydrophobicContact CD2-CH2 4.22Å; W298-W359 AromaticContact CE2-CH2 3.69Å; W298-W359 HydrophobicContact CE3-CH2 4.25Å; W298-W359 AromaticContact CH2-CH2 3.33Å; W298-W359 HydrophobicContact CH2-CH2 3.33Å; W298-W359 HydrophobicContact CH2-CZ2 4.47Å; W298-W359 AromaticContact CH2-CZ3 3.82Å; W298-W359 HydrophobicContact CH2-CZ3 3.82Å; W298-W359 AromaticContact CZ2-CH2 3.27Å; W298-W359 HydrophobicContact CZ2-CH2 3.27Å; W298-W359 HydrophobicContact CZ2-CZ2 4.03Å; W298-W359 HydrophobicContact CZ2-CZ3 4.18Å; W298-W359 AromaticContact CZ3-CH2 3.81Å; W298-W359 HydrophobicContact CZ3-CH2 3.81Å; W298-W359 HydrophobicContact CZ3-CZ3 4.21Å; W298-W423 HydrophobicContact CH2-CH2 4.04Å; W298-W423 HydrophobicContact CH2-CZ3 4.45Å; W298-W423 HydrophobicContact CZ3-CH2 4.15Å
299N88.5Confident87.3Confident104 Ų10437.1 Ų37.156%0.55621%0.205SC*.Hα-helixtrans-61.6-39.1174.3-66.1-34.3000112.4E297 A303E297-N299 PolarHBondContact O-N 2.96Å; N299-A303 VanDerWaalsContact O-CB 3.3Å; N299-A303 WeakPolarHBondContact O-CB 3.34Å; N299-A303 PolarHBondContact O-N 3.43Å
300E91.1Very high87.5Confident40 Ų4040.2 Ų40.219%0.18722%0.221CC..Hα-helixtrans-68.1-42.6177.1-163.5-173.9151.600110.8F286 R287 V296 E297 W298 A303 A304F286-E300 HydrophobicContact CB-CG 4.24Å; F286-E300 HydrophobicContact CD1-CG 3.96Å; R287-E300 VanDerWaalsContact CB-OE1 3.3Å; R287-E300 WeakPolarHBondContact CB-OE1 3.44Å; R287-E300 WeakPolarHBondContact CG-OE1 3.38Å; R287-E300 IonicContact CZ-OE1 2.66Å; R287-E300 IonicContact CZ-OE2 3.59Å; R287-E300 PolarHBondContact N-OE1 3.44Å; R287-E300 IonicContact NE-OE1 3.54Å; R287-E300 PolarHBondContact NE-OE1 3.46Å; R287-E300 IonicContact NE-OE2 3.82Å; R287-E300 IonicContact NH2-OE1 2.72Å; R287-E300 IonicContact NH2-OE2 2.87Å; R287-E300 PolarHBondContact NH2-OE2 2.96Å; V296-E300 HydrophobicContact CG1-CB 3.91Å; V296-E300 HydrophobicContact CG1-CG 4.2Å; V296-E300 WeakPolarHBondContact CG1-OE2 3.35Å; E297-E300 WeakPolarHBondContact O-CB 3.35Å; E297-E300 PolarHBondContact O-N 2.91Å; W298-E300 VanDerWaalsContact C-N 3.31Å; W298-E300 PolarHBondContact O-N 3.48Å; E300-A303 PolarHBondContact O-N 3.31Å; E300-A304 WeakPolarHBondContact O-CB 3.46Å; E300-A304 PolarHBondContact O-N 2.89Å
301I88.5Confident87.8Confident0 Ų037.3 Ų37.30%021%0.21CC..Hα-helixtrans-64.5-44.2176.7-64.7171.7000110.9L288 R290 V296 E297 W298 A304 W305 W423L288-I301 HydrophobicContact CD1-CG2 4.48Å; R290-I301 HydrophobicContact CB-CD1 4.37Å; V296-I301 HydrophobicContact CB-CD1 4.35Å; V296-I301 HydrophobicContact CB-CG1 4.41Å; V296-I301 HydrophobicContact CG1-CD1 4.35Å; V296-I301 HydrophobicContact CG1-CG1 3.89Å; E297-I301 PolarHBondContact O-N 3.28Å; W298-I301 HydrophobicContact CD2-CD1 4.37Å; W298-I301 HydrophobicContact CE3-CB 4.38Å; W298-I301 HydrophobicContact CE3-CD1 4.06Å; W298-I301 HydrophobicContact CE3-CG2 4.27Å; W298-I301 HydrophobicContact CH2-CD1 4.33Å; W298-I301 HydrophobicContact CZ3-CD1 4.08Å; W298-I301 HydrophobicContact CZ3-CG2 4.17Å; W298-I301 PolarHBondContact O-N 3.43Å; I301-A304 WeakPolarHBondContact O-CB 3.35Å; I301-A304 PolarHBondContact O-N 2.72Å; I301-W305 VanDerWaalsContact O-CD1 3.25Å; I301-W305 PolarHBondContact O-N 3.46Å; I301-W423 HydrophobicContact CD1-CH2 4.38Å; I301-W423 HydrophobicContact CD1-CZ3 4.47Å; I301-W423 HydrophobicContact CG2-CH2 4.17Å
302N90.3Very high88Confident4 Ų436.9 Ų36.92%0.02121%0.208CC..Hα-helixtrans-64.4-41178.2-71-10.6000111.4W298 W305 G306 N333 Y350 C351W298-N302 WeakPolarHBondContact O-CB 3.32Å; W298-N302 PolarHBondContact O-N 3.09Å; W298-N302 PolarHBondContact O-ND2 3.23Å; W298-N302 PolarHBondContact O-OD1 2.88Å; N302-W305 PolarHBondContact O-N 2.87Å; N302-G306 PolarHBondContact O-N 2.86Å; N302-N333 HydrophobicContact CB-CB 4.37Å; N302-N333 WeakPolarHBondContact CB-O 3.3Å; N302-Y350 VanDerWaalsContact OD1-CA 3.3Å; N302-Y350 WeakPolarHBondContact OD1-CA 3.31Å; N302-C351 PolarHBondContact ND2-O 3.45Å; N302-C351 PolarHBondContact OD1-N 3.44Å; N302-C351 PolarHBondContact OD1-O 2.89Å
303A90.3Very high88.4Confident6 Ų636 Ų365%0.0520%0.195CC..Hα-helixtrans-62.8-44.1172.400000111.6F286 N299 E300 W305 G306 Q307 N333F286-A303 HydrophobicContact CD1-CB 4.16Å; F286-A303 HydrophobicContact CD2-CB 4.36Å; F286-A303 HydrophobicContact CE1-CB 4.2Å; F286-A303 HydrophobicContact CE2-CB 4.4Å; F286-A303 HydrophobicContact CG-CB 4.24Å; F286-A303 HydrophobicContact CZ-CB 4.32Å; N299-A303 VanDerWaalsContact O-CB 3.3Å; N299-A303 WeakPolarHBondContact O-CB 3.34Å; N299-A303 PolarHBondContact O-N 3.43Å; E300-A303 PolarHBondContact O-N 3.31Å; A303-W305 PolarHBondContact O-N 3.25Å; A303-G306 PolarHBondContact O-N 3.22Å; A303-Q307 WeakPolarHBondContact O-CG 3.47Å; A303-Q307 PolarHBondContact O-N 3.49Å; A303-N333 VanDerWaalsContact CA-OD1 3.29Å; A303-N333 WeakPolarHBondContact CA-OD1 3.44Å; A303-N333 VanDerWaalsContact CB-OD1 3.26Å; A303-N333 WeakPolarHBondContact CB-OD1 3.4Å
304A91.3Very high88.7Confident0 Ų032.7 Ų32.70%017%0.174CC..Hα-helixtrans-60.5-42.9175.700000111.9I283 F286 L288 E300 I301 Q307 T308I283-A304 HydrophobicContact CG2-CB 3.92Å; F286-A304 HydrophobicContact CB-CB 3.74Å; L288-A304 HydrophobicContact CB-CB 4.04Å; L288-A304 HydrophobicContact CD1-CB 3.58Å; L288-A304 HydrophobicContact CG-CB 4.38Å; E300-A304 WeakPolarHBondContact O-CB 3.46Å; E300-A304 PolarHBondContact O-N 2.89Å; I301-A304 WeakPolarHBondContact O-CB 3.35Å; I301-A304 PolarHBondContact O-N 2.72Å; A304-Q307 PolarHBondContact O-N 2.88Å; A304-T308 WeakPolarHBondContact O-CB 3.06Å; A304-T308 PolarHBondContact O-N 3.14Å; A304-T308 PolarHBondContact O-OG1 2.92Å
305W90.4Very high88.8Confident0 Ų029.8 Ų29.80%016%0.156CC..Hα-helixtrans-62.2-42.5173.2-84.7116.7000112.4L288 I301 N302 A303 Q307 T308 V309 L349 F363 M367 F370 I413 L427 M430L288-W305 HydrophobicContact CD1-CD2 4.03Å; L288-W305 HydrophobicContact CD1-CG 3.94Å; I301-W305 VanDerWaalsContact O-CD1 3.25Å; I301-W305 PolarHBondContact O-N 3.46Å; N302-W305 PolarHBondContact O-N 2.87Å; A303-W305 PolarHBondContact O-N 3.25Å; W305-Q307 PolarHBondContact O-N 2.97Å; W305-T308 WeakPolarHBondContact O-CB 3.06Å; W305-T308 PolarHBondContact O-N 3.03Å; W305-T308 VanDerWaalsContact O-N 3.12Å; W305-V309 WeakPolarHBondContact O-CG2 3.13Å; W305-V309 PolarHBondContact O-N 3.14Å; W305-L349 HydrophobicContact CB-CB 4.48Å; W305-L349 WeakPolarHBondContact CB-O 3.37Å; W305-L349 HydrophobicContact CE3-CD1 4.28Å; W305-L349 HydrophobicContact CE3-CD2 4.27Å; W305-L349 HydrophobicContact CZ3-CD2 4.35Å; W305-F363 AromaticContact NE1-CZ 3.82Å; W305-M367 HydrophobicContact CH2-CG 3.95Å; W305-M367 HydrophobicContact CH2-SD 4.34Å; W305-M367 HydrophobicContact CZ2-CG 3.74Å; W305-M367 HydrophobicContact CZ2-SD 3.67Å; W305-F370 AromaticContact CZ3-CD1 3.81Å; W305-F370 HydrophobicContact CZ3-CD1 3.81Å; W305-F370 HydrophobicContact CZ3-CE1 4.12Å; W305-F370 HydrophobicContact CZ3-CG 4.22Å; W305-I413 HydrophobicContact CH2-CD1 4.31Å; W305-L427 HydrophobicContact CH2-CD2 3.62Å; W305-L427 HydrophobicContact CZ2-CD2 3.28Å; W305-M430 HydrophobicContact CH2-CE 3.68Å; W305-M430 HydrophobicContact CH2-SD 3.88Å; W305-M430 HydrophobicContact CZ3-CE 3.64Å; W305-M430 HydrophobicContact CZ3-SD 3.99Å
306G90.8Very high89Confident3 Ų326 Ų263%0.03113%0.132CC..Hα-helixtrans-57.8-46.2174.800000113.6N302 A303 T308 V309 L310 G332 S335N302-G306 PolarHBondContact O-N 2.86Å; A303-G306 PolarHBondContact O-N 3.22Å; G306-T308 VanDerWaalsContact C-N 3.3Å; G306-T308 PolarHBondContact O-N 2.92Å; G306-V309 PolarHBondContact O-N 3.47Å; G306-L310 WeakPolarHBondContact O-CB 3.48Å; G306-L310 PolarHBondContact O-N 3.07Å; G306-G332 WeakPolarHBondContact CA-O 3.38Å; G306-S335 WeakPolarHBondContact CA-OG 3.16Å
307Q90.1Very high89.1Confident49 Ų4931.9 Ų31.923%0.22916%0.163CC..Hα-helixtrans-64-37174.9-65.9-62.5-39.900111.8I283 N284 F286 A303 A304 W305 L310 L311I283-Q307 HydrophobicContact CD1-CB 3.88Å; I283-Q307 HydrophobicContact CG1-CB 4.1Å; I283-Q307 HydrophobicContact CG2-CB 4.02Å; N284-Q307 PolarHBondContact ND2-OE1 3.25Å; N284-Q307 VanDerWaalsContact ND2-OE1 3.16Å; F286-Q307 HydrophobicContact CD2-CG 4.18Å; F286-Q307 HydrophobicContact CE2-CG 4.3Å; A303-Q307 WeakPolarHBondContact O-CG 3.47Å; A303-Q307 PolarHBondContact O-N 3.49Å; A304-Q307 PolarHBondContact O-N 2.88Å; W305-Q307 PolarHBondContact O-N 2.97Å; Q307-L310 PolarHBondContact O-N 3.42Å; Q307-L311 WeakPolarHBondContact O-CB 3.26Å; Q307-L311 PolarHBondContact O-N 3.25Å
308T90.1Very high88.9Confident0 Ų028.7 Ų28.70%015%0.147CC..Hα-helixtrans-68.1-41.1178.9-54.30000111.7A304 W305 G306 L311 L312 F370 M430 L431 L434A304-T308 WeakPolarHBondContact O-CB 3.06Å; A304-T308 PolarHBondContact O-N 3.14Å; A304-T308 PolarHBondContact O-OG1 2.92Å; W305-T308 WeakPolarHBondContact O-CB 3.06Å; W305-T308 PolarHBondContact O-N 3.03Å; W305-T308 VanDerWaalsContact O-N 3.12Å; G306-T308 VanDerWaalsContact C-N 3.3Å; G306-T308 PolarHBondContact O-N 2.92Å; T308-L311 PolarHBondContact O-N 2.77Å; T308-L312 PolarHBondContact O-N 3.46Å; T308-F370 HydrophobicContact CG2-CE1 3.98Å; T308-F370 HydrophobicContact CG2-CZ 3.7Å; T308-M430 HydrophobicContact CG2-CE 3.95Å; T308-L431 HydrophobicContact CG2-CD2 4.14Å; T308-L434 HydrophobicContact CG2-CD1 3.44Å; T308-L434 VanDerWaalsContact CG2-CD1 3.44Å
309V91.3Very high88.6Confident0 Ų029.1 Ų29.10%015%0.152CC..Hα-helixtrans-66-44.7174.6174.10000110.8W305 G306 L311 L312 H313 L328 P330 L349 F370W305-V309 WeakPolarHBondContact O-CG2 3.13Å; W305-V309 PolarHBondContact O-N 3.14Å; G306-V309 PolarHBondContact O-N 3.47Å; V309-L311 VanDerWaalsContact C-N 3.31Å; V309-L311 PolarHBondContact O-N 2.87Å; V309-L312 PolarHBondContact O-N 3.41Å; V309-H313 WeakPolarHBondContact O-CB 3.43Å; V309-H313 PolarHBondContact O-N 2.92Å; V309-L328 HydrophobicContact CG1-CB 4.14Å; V309-L328 HydrophobicContact CG1-CD2 4.48Å; V309-P330 HydrophobicContact CG1-CB 4.29Å; V309-L349 HydrophobicContact CG2-CD1 3.28Å; V309-F370 HydrophobicContact CG2-CD2 4.22Å; V309-F370 HydrophobicContact CG2-CE2 4.01Å
310L90.6Very high88.2Confident66 Ų6627 Ų2735%0.34615%0.154SC..Hα-helixtrans-61.3-41.6177.6-177.263.6000111.5F272 G306 Q307 H313 A314 P330F272-L310 HydrophobicContact CE1-CB 4.33Å; F272-L310 HydrophobicContact CE1-CD2 3.93Å; F272-L310 HydrophobicContact CE1-CG 4.08Å; F272-L310 HydrophobicContact CZ-CB 4.46Å; F272-L310 HydrophobicContact CZ-CD2 3.86Å; F272-L310 HydrophobicContact CZ-CG 3.81Å; G306-L310 WeakPolarHBondContact O-CB 3.48Å; G306-L310 PolarHBondContact O-N 3.07Å; Q307-L310 PolarHBondContact O-N 3.42Å; L310-H313 PolarHBondContact O-N 3.3Å; L310-A314 VanDerWaalsContact O-CB 3.31Å; L310-A314 WeakPolarHBondContact O-CB 3.44Å; L310-A314 PolarHBondContact O-N 3.41Å; L310-P330 HydrophobicContact CB-CB 4.08Å; L310-P330 HydrophobicContact CD1-CB 3.82Å; L310-P330 HydrophobicContact CD1-CG 3.95Å
311L89.8Confident87.8Confident0 Ų026.6 Ų26.60%015%0.153CC..Hα-helixtrans-59.6-51.5174.8173.363.8000111.4F272 I274 I283 Q307 T308 V309 H313 A314 L315 L434 L438F272-L311 HydrophobicContact CB-CD1 3.91Å; F272-L311 HydrophobicContact CD1-CB 4.1Å; F272-L311 HydrophobicContact CD2-CB 4.5Å; F272-L311 HydrophobicContact CD2-CD1 3.63Å; F272-L311 HydrophobicContact CE1-CB 4.33Å; F272-L311 HydrophobicContact CE2-CD1 4.3Å; F272-L311 HydrophobicContact CG-CB 4.2Å; F272-L311 HydrophobicContact CG-CD1 3.76Å; F272-L311 HydrophobicContact CG-CG 4.46Å; I274-L311 HydrophobicContact CD1-CD2 3.52Å; I274-L311 HydrophobicContact CG1-CD2 4.44Å; I283-L311 HydrophobicContact CD1-CD2 4.25Å; Q307-L311 WeakPolarHBondContact O-CB 3.26Å; Q307-L311 PolarHBondContact O-N 3.25Å; T308-L311 PolarHBondContact O-N 2.77Å; V309-L311 VanDerWaalsContact C-N 3.31Å; V309-L311 PolarHBondContact O-N 2.87Å; L311-H313 VanDerWaalsContact C-N 3.32Å; L311-H313 PolarHBondContact O-N 2.83Å; L311-A314 PolarHBondContact O-N 2.81Å; L311-L315 HydrophobicContact CD1-CD1 4.11Å; L311-L315 HydrophobicContact CD1-CG 4.12Å; L311-L315 HydrophobicContact CG-CD1 4.18Å; L311-L315 WeakPolarHBondContact O-CB 3.3Å; L311-L315 WeakPolarHBondContact O-CG 3.16Å; L311-L315 PolarHBondContact O-N 3.3Å; L311-L434 HydrophobicContact CD2-CB 4.26Å; L311-L438 HydrophobicContact CD1-CD1 3.79Å
312L88.8Confident87.5Confident0 Ų035.6 Ų35.60%019%0.192CC..Hα-helixtrans-64.5-38.6-179.2-175.361.4000111.7T308 V309 L315 A316 F323 L328 F370 C373 V374 F377 L434T308-L312 PolarHBondContact O-N 3.46Å; V309-L312 PolarHBondContact O-N 3.41Å; L312-L315 PolarHBondContact O-N 2.88Å; L312-A316 VanDerWaalsContact O-CB 3.3Å; L312-A316 WeakPolarHBondContact O-CB 3.3Å; L312-A316 PolarHBondContact O-N 3.49Å; L312-F323 HydrophobicContact CD1-CZ 4.31Å; L312-F323 HydrophobicContact CD2-CZ 4.36Å; L312-F323 HydrophobicContact CG-CZ 4.08Å; L312-L328 HydrophobicContact CB-CD1 3.92Å; L312-L328 HydrophobicContact CD2-CD1 3.65Å; L312-L328 HydrophobicContact CG-CD1 3.62Å; L312-F370 HydrophobicContact CB-CE2 4.16Å; L312-F370 HydrophobicContact CB-CZ 4.14Å; L312-F370 HydrophobicContact CD2-CD2 4.18Å; L312-F370 HydrophobicContact CD2-CE1 4.43Å; L312-F370 HydrophobicContact CD2-CE2 3.46Å; L312-F370 VanDerWaalsContact CD2-CE2 3.46Å; L312-F370 HydrophobicContact CD2-CZ 3.59Å; L312-F370 HydrophobicContact CG-CE2 4.45Å; L312-C373 HydrophobicContact CD2-CB 3.87Å; L312-V374 HydrophobicContact CD2-CG2 3.83Å; L312-F377 HydrophobicContact CD1-CB 4.12Å; L312-F377 HydrophobicContact CD1-CD1 4.49Å; L312-F377 HydrophobicContact CD1-CD2 4.3Å; L312-F377 HydrophobicContact CD1-CG 4.05Å; L312-L434 HydrophobicContact CD1-CD2 4.04Å
313H89.3Confident87.3Confident73 Ų7336.5 Ų36.534%0.33820%0.196SC..Hα-helixtrans-62.6-44173.8179.5-88.6000111.9V309 L310 L311 A316 N317 L328V309-H313 WeakPolarHBondContact O-CB 3.43Å; V309-H313 PolarHBondContact O-N 2.92Å; L310-H313 PolarHBondContact O-N 3.3Å; L311-H313 VanDerWaalsContact C-N 3.32Å; L311-H313 PolarHBondContact O-N 2.83Å; H313-A316 PolarHBondContact O-N 3.21Å; H313-N317 VanDerWaalsContact O-CB 3.31Å; H313-N317 WeakPolarHBondContact O-CB 3.36Å; H313-N317 PolarHBondContact O-N 2.93Å; H313-L328 HydrophobicContact CB-CB 4.4Å; H313-L328 HydrophobicContact CB-CD1 4.41Å
314A87.1Confident86.8Confident26 Ų2643 Ų4322%0.21523%0.225CC..Hα-helixtrans-65.1-40.1177.300000112.2F268 L310 L311 K318F268-A314 HydrophobicContact CE1-CB 4.41Å; L310-A314 VanDerWaalsContact O-CB 3.31Å; L310-A314 WeakPolarHBondContact O-CB 3.44Å; L310-A314 PolarHBondContact O-N 3.41Å; L311-A314 PolarHBondContact O-N 2.81Å; A314-K318 WeakPolarHBondContact O-CB 3.42Å; A314-K318 PolarHBondContact O-N 3.18Å
315L85.7Confident86.4Confident0 Ų048.1 Ų48.10%025%0.245CC..Hα-helixtrans-64.4-47.5175.1-74.4-178.8000111.9L311 L312 N317 K318 M319 F377 L438 V441L311-L315 HydrophobicContact CD1-CD1 4.11Å; L311-L315 HydrophobicContact CD1-CG 4.12Å; L311-L315 HydrophobicContact CG-CD1 4.18Å; L311-L315 WeakPolarHBondContact O-CB 3.3Å; L311-L315 WeakPolarHBondContact O-CG 3.16Å; L311-L315 PolarHBondContact O-N 3.3Å; L312-L315 PolarHBondContact O-N 2.88Å; L315-N317 PolarHBondContact O-N 3.15Å; L315-K318 PolarHBondContact O-N 3.4Å; L315-M319 PolarHBondContact O-N 2.9Å; L315-F377 HydrophobicContact CB-CE2 3.86Å; L315-F377 HydrophobicContact CB-CZ 4.24Å; L315-F377 HydrophobicContact CD1-CE2 4.41Å; L315-F377 HydrophobicContact CD1-CZ 3.98Å; L315-L438 HydrophobicContact CD1-CD1 4.41Å; L315-L438 HydrophobicContact CD2-CD1 3.67Å; L315-L438 HydrophobicContact CG-CD1 4.34Å; L315-V441 HydrophobicContact CD2-CB 3.83Å; L315-V441 HydrophobicContact CD2-CG1 3.82Å; L315-V441 HydrophobicContact CD2-CG2 3.66Å
316A87.1Confident86.2Confident4 Ų450.5 Ų50.53%0.03325%0.254CS..Hα-helixtrans-61.5-44.1177.300000111.7L312 H313 K318 M319 G320 L321 F323L312-A316 VanDerWaalsContact O-CB 3.3Å; L312-A316 WeakPolarHBondContact O-CB 3.3Å; L312-A316 PolarHBondContact O-N 3.49Å; H313-A316 PolarHBondContact O-N 3.21Å; A316-K318 PolarHBondContact O-N 2.88Å; A316-M319 CarbonylContact O-C 3.55Å; A316-M319 PolarHBondContact O-N 3.25Å; A316-G320 PolarHBondContact O-N 3Å; A316-L321 HydrophobicContact CB-CB 4.44Å; A316-L321 PolarHBondContact O-N 2.91Å; A316-F323 HydrophobicContact CB-CE2 3.56Å; A316-F323 HydrophobicContact CB-CZ 3.63Å
317N86.6Confident85.9Confident124 Ų12457.4 Ų57.466%0.66328%0.28SS*.Hα-helixtrans-64.1-39.3177.5-165.629.7000112H313 L315 M319 G320H313-N317 VanDerWaalsContact O-CB 3.31Å; H313-N317 WeakPolarHBondContact O-CB 3.36Å; H313-N317 PolarHBondContact O-N 2.93Å; L315-N317 PolarHBondContact O-N 3.15Å; N317-M319 VanDerWaalsContact C-N 3.33Å; N317-M319 PolarHBondContact O-N 2.94Å; N317-G320 PolarHBondContact O-N 2.91Å; N317-G320 VanDerWaalsContact O-N 3.13Å
318K83.1Confident85.8Confident66 Ų6655.4 Ų55.429%0.28727%0.27SS..Hα-helixtrans-65.2-35.2175.8-175.6173.3177-161.60112.7F268 A314 L315 A316 G320 V441 F445F268-K318 HydrophobicContact CE2-CD 3.55Å; F268-K318 HydrophobicContact CZ-CD 3.53Å; A314-K318 WeakPolarHBondContact O-CB 3.42Å; A314-K318 PolarHBondContact O-N 3.18Å; L315-K318 PolarHBondContact O-N 3.4Å; A316-K318 PolarHBondContact O-N 2.88Å; K318-G320 VanDerWaalsContact C-N 3.31Å; K318-V441 HydrophobicContact CD-CG1 3.68Å; K318-V441 HydrophobicContact CG-CG1 4.3Å; K318-V441 PolarHBondContact NZ-O 2.67Å; K318-F445 HydrophobicContact CG-CE1 4.41Å; K318-F445 HydrophobicContact CG-CZ 4.45Å
319M79.2Confident85.7Confident46 Ų4656.7 Ų56.723%0.22728%0.278CS..Hα-helixtrans-80.1-10.2173.8-70-174169.200113.7L315 A316 N317 L321 F377 V381 W440 V441 F445L315-M319 PolarHBondContact O-N 2.9Å; A316-M319 CarbonylContact O-C 3.55Å; A316-M319 PolarHBondContact O-N 3.25Å; N317-M319 VanDerWaalsContact C-N 3.33Å; N317-M319 PolarHBondContact O-N 2.94Å; M319-L321 HydrophobicContact CB-CB 4.36Å; M319-L321 PolarHBondContact O-N 3.46Å; M319-F377 HydrophobicContact CE-CE2 3.56Å; M319-F377 HydrophobicContact CE-CZ 3.76Å; M319-F377 HydrophobicContact SD-CD2 3.95Å; M319-F377 HydrophobicContact SD-CE2 3.41Å; M319-F377 WeakPolarHBondContact SD-CE2 3.45Å; M319-F377 HydrophobicContact SD-CZ 4.22Å; M319-V381 HydrophobicContact CE-CG2 3.44Å; M319-V381 VanDerWaalsContact CE-CG2 3.44Å; M319-V381 HydrophobicContact SD-CG2 4.3Å; M319-W440 HydrophobicContact CE-CE3 3.64Å; M319-W440 HydrophobicContact CE-CH2 4.4Å; M319-W440 HydrophobicContact CE-CZ3 3.3Å; M319-V441 HydrophobicContact CE-CB 4.4Å; M319-V441 HydrophobicContact CE-CG2 3.2Å; M319-F445 HydrophobicContact CG-CE2 4.4Å; M319-F445 HydrophobicContact CG-CZ 4.43Å
320G80.7Confident85.6Confident60 Ų6058.8 Ų58.862%0.61929%0.291SS*.THydrogen-bonded Turntrans68.118.8-170.400000113.8A316 N317 K318A316-G320 PolarHBondContact O-N 3Å; N317-G320 PolarHBondContact O-N 2.91Å; N317-G320 VanDerWaalsContact O-N 3.13Å; K318-G320 VanDerWaalsContact C-N 3.31Å
321L82.6Confident85.5Confident31 Ų3163.3 Ų63.316%0.16231%0.305CS..  trans-79.2127.6-178.6179.958.8000111.1A316 M319 F323 E380A316-L321 HydrophobicContact CB-CB 4.44Å; A316-L321 PolarHBondContact O-N 2.91Å; M319-L321 HydrophobicContact CB-CB 4.36Å; M319-L321 PolarHBondContact O-N 3.46Å; L321-F323 HydrophobicContact CD2-CD1 4.43Å; L321-F323 HydrophobicContact CD2-CE1 4Å; L321-E380 HydrophobicContact CD1-CG 3.57Å; L321-E380 HydrophobicContact CD2-CB 4.15Å; L321-E380 HydrophobicContact CD2-CG 3.77Å; L321-E380 HydrophobicContact CG-CG 4.26Å
322K83.1Confident85.4Confident189 Ų18965.3 Ų65.382%0.82233%0.326SS*.  trans-105.4119.7167.5-66.1-175.6-179.8179.60109.5
323F85.6Confident85.2Confident24 Ų2468.9 Ų68.911%0.10535%0.345CS..  trans-65.2144.5175.7-62.2-66.2000111.5L312 A316 L321 Y326 L328 C373 Q376 F377L312-F323 HydrophobicContact CD1-CZ 4.31Å; L312-F323 HydrophobicContact CD2-CZ 4.36Å; L312-F323 HydrophobicContact CG-CZ 4.08Å; A316-F323 HydrophobicContact CB-CE2 3.56Å; A316-F323 HydrophobicContact CB-CZ 3.63Å; L321-F323 HydrophobicContact CD2-CD1 4.43Å; L321-F323 HydrophobicContact CD2-CE1 4Å; F323-Y326 WeakPolarHBondContact CB-O 3.47Å; F323-L328 HydrophobicContact CD2-CD1 4.26Å; F323-L328 HydrophobicContact CD2-CG 4.31Å; F323-L328 HydrophobicContact CE2-CD1 3.53Å; F323-L328 HydrophobicContact CE2-CG 4.06Å; F323-L328 HydrophobicContact CZ-CD1 4.12Å; F323-C373 HydrophobicContact CD1-CB 4.03Å; F323-C373 HydrophobicContact CE1-CB 3.91Å; F323-C373 VanDerWaalsContact CE1-O 3.22Å; F323-C373 WeakPolarHBondContact CE1-O 3.46Å; F323-C373 HydrophobicContact CG-CB 4.47Å; F323-C373 HydrophobicContact CZ-CB 4.23Å; F323-Q376 HydrophobicContact CD1-CB 4.09Å; F323-Q376 HydrophobicContact CE1-CB 4.41Å; F323-F377 HydrophobicContact CE1-CB 4.42Å
324Q80.1Confident85.1Confident141 Ų14169.8 Ų69.866%0.65935%0.349SS*.SBendtrans-87.4-32.5-170.2-62.2178.910.100113.8L340Q324-L340 WeakPolarHBondContact O-CD1 3.46Å
325R82.1Confident85.2Confident108 Ų10868.7 Ų68.741%0.40834%0.34SS..SBendtrans-109.9-31.6-172-71.5-173.7-77-88.65.4114.3L340 D372R325-L340 PolarHBondContact O-N 2.82Å; R325-D372 IonicContact CZ-OD1 3.73Å; R325-D372 IonicContact CZ-OD2 2.68Å; R325-D372 IonicContact NE-OD1 2.75Å; R325-D372 IonicContact NE-OD2 2.63Å; R325-D372 PolarHBondContact NE-OD2 2.9Å; R325-D372 VanDerWaalsContact NH2-CG 3.28Å; R325-D372 IonicContact NH2-OD1 3.73Å; R325-D372 PolarHBondContact NH2-OD1 3.38Å; R325-D372 IonicContact NH2-OD2 3.56Å; R325-D372 PolarHBondContact NH2-OD2 2.83Å
326Y85.7Confident85.3Confident51 Ų5171.3 Ų71.320%0.235%0.35CS..EExtended strand (participates in β ladder)trans-134.8150-173.8-56.4-73.9000110.7F323 L337 E338 L347 A369 D372F323-Y326 WeakPolarHBondContact CB-O 3.47Å; Y326-L337 HydrophobicContact CG-CD2 4.49Å; Y326-E338 CarbonylContact C-O 3.57Å; Y326-E338 VanDerWaalsContact CA-O 3.28Å; Y326-E338 WeakPolarHBondContact CA-O 3.35Å; Y326-L347 HydrophobicContact CD1-CD1 4.09Å; Y326-L347 HydrophobicContact CE1-CD1 3.75Å; Y326-A369 HydrophobicContact CD1-CB 3.86Å; Y326-A369 HydrophobicContact CD2-CB 3.85Å; Y326-A369 HydrophobicContact CE1-CB 3.64Å; Y326-A369 HydrophobicContact CE2-CB 3.62Å; Y326-A369 HydrophobicContact CG-CB 3.97Å; Y326-D372 HydrophobicContact CE2-CB 4.25Å; Y326-D372 VanDerWaalsContact CE2-OD2 3.31Å; Y326-D372 WeakPolarHBondContact CE2-OD2 3.18Å
327R86.3Confident85.3Confident148 Ų14871.1 Ų71.156%0.55835%0.348SS*.EExtended strand (participates in β ladder)trans-111.8129.3170.7-176.1-176.1-179.2-165.61.3109.2L337 E338 L340R327-L337 WeakPolarHBondContact O-CA 3.35Å; R327-E338 HydrophobicContact CB-CB 4.41Å; R327-E338 PolarHBondContact N-O 2.9Å; R327-E338 IonicContact NH1-OE2 2.9Å; R327-E338 PolarHBondContact O-N 3.48Å; R327-L340 HydrophobicContact CB-CD2 4.43Å
328L86.7Confident85.3Confident6 Ų668.2 Ų68.23%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-81.1125.9175.5-59.5177.6000109.9V309 L312 H313 F323 L337 F370 C373V309-L328 HydrophobicContact CG1-CB 4.14Å; V309-L328 HydrophobicContact CG1-CD2 4.48Å; L312-L328 HydrophobicContact CB-CD1 3.92Å; L312-L328 HydrophobicContact CD2-CD1 3.65Å; L312-L328 HydrophobicContact CG-CD1 3.62Å; H313-L328 HydrophobicContact CB-CB 4.4Å; H313-L328 HydrophobicContact CB-CD1 4.41Å; F323-L328 HydrophobicContact CD2-CD1 4.26Å; F323-L328 HydrophobicContact CD2-CG 4.31Å; F323-L328 HydrophobicContact CE2-CD1 3.53Å; F323-L328 HydrophobicContact CE2-CG 4.06Å; F323-L328 HydrophobicContact CZ-CD1 4.12Å; L328-L337 HydrophobicContact CD2-CD2 3.51Å; L328-L337 HydrophobicContact CD2-CG 3.84Å; L328-F370 HydrophobicContact CD2-CD2 4.1Å; L328-F370 HydrophobicContact CD2-CE2 4.37Å; L328-C373 HydrophobicContact CD2-CB 4.49Å
329V88.4Confident85.4Confident28 Ų2865.6 Ų65.617%0.1732%0.321CS..EExtended strand (participates in β ladder)trans-118.898.4173.8-174.50000108.9Y331 Y336 E338V329-Y331 PolarHBondContact O-N 2.83Å; V329-Y336 HydrophobicContact CB-CD2 4.33Å; V329-Y336 HydrophobicContact CB-CE1 4.23Å; V329-Y336 HydrophobicContact CB-CE2 3.98Å; V329-Y336 HydrophobicContact CG1-CE1 3.94Å; V329-Y336 HydrophobicContact CG1-CE2 4.28Å; V329-Y336 HydrophobicContact CG2-CE2 4.04Å; V329-Y336 PolarHBondContact N-O 2.93Å; V329-Y336 VanDerWaalsContact N-O 3.09Å; V329-Y336 PolarHBondContact O-N 2.8Å; V329-E338 HydrophobicContact CG2-CG 4.2Å
330P88.6Confident85.4Confident43 Ų4368 Ų6828%0.27933%0.334SS..  trans-71.3117.9176.228.2-31.6000109.7V309 L310V309-P330 HydrophobicContact CG1-CB 4.29Å; L310-P330 HydrophobicContact CB-CB 4.08Å; L310-P330 HydrophobicContact CD1-CB 3.82Å; L310-P330 HydrophobicContact CD1-CG 3.95Å
331Y88.8Confident85.3Confident162 Ų16271.1 Ų71.164%0.63534%0.341SS*.  trans-133.748.9-179.7-160.8-101.9000110.7V329 N333 H334 S335V329-Y331 PolarHBondContact O-N 2.83Å; Y331-N333 PolarHBondContact O-N 3.49Å; Y331-H334 HydrophobicContact CD1-CB 4.15Å; Y331-H334 CarbonylContact O-C 3.53Å; Y331-H334 PolarHBondContact O-N 2.88Å; Y331-S335 PolarHBondContact N-OG 3.12Å
332G87.6Confident85Confident42 Ų4273.3 Ų73.343%0.43335%0.353SS..G310 helixtrans53-128.5-176.900000111.6G306 H334 S335G306-G332 WeakPolarHBondContact CA-O 3.38Å; G332-H334 PolarHBondContact O-N 2.86Å; G332-S335 PolarHBondContact O-N 3.06Å; G332-S335 PolarHBondContact O-OG 2.92Å
333N85.1Confident84.3Confident74 Ų7474.1 Ų74.140%0.39636%0.357SS..G310 helixtrans-69.9-9.5-178-56.9-3.3000113.7N302 A303 Y331 Y350N302-N333 HydrophobicContact CB-CB 4.37Å; N302-N333 WeakPolarHBondContact CB-O 3.3Å; A303-N333 VanDerWaalsContact CA-OD1 3.29Å; A303-N333 WeakPolarHBondContact CA-OD1 3.44Å; A303-N333 VanDerWaalsContact CB-OD1 3.26Å; A303-N333 WeakPolarHBondContact CB-OD1 3.4Å; Y331-N333 PolarHBondContact O-N 3.49Å; N333-Y350 WeakPolarHBondContact O-CB 3.47Å
334H86.2Confident83.2Confident93 Ų9378.1 Ų78.143%0.43139%0.388SS..G310 helixtrans-119.140.9178.3-60.589000111.1Y331 G332 Y350Y331-H334 HydrophobicContact CD1-CB 4.15Å; Y331-H334 CarbonylContact O-C 3.53Å; Y331-H334 PolarHBondContact O-N 2.88Å; G332-H334 PolarHBondContact O-N 2.86Å; H334-Y350 VanDerWaalsContact CA-CD1 3.45Å; H334-Y350 HydrophobicContact CB-CD1 3.79Å; H334-Y350 HydrophobicContact CB-CE1 3.87Å; H334-Y350 HydrophobicContact CB-CG 4.26Å; H334-Y350 AromaticContact CD2-CD2 3.52Å; H334-Y350 AromaticContact CD2-CE2 3.64Å; H334-Y350 AromaticContact CD2-CG 3.74Å; H334-Y350 AromaticContact CD2-CZ 3.94Å
335S89.3Confident83.1Confident2 Ų276.2 Ų76.21%0.01438%0.377CS..  trans-64.7147.1178.1-64.20000111.7G306 Y331 G332 L349G306-S335 WeakPolarHBondContact CA-OG 3.16Å; Y331-S335 PolarHBondContact N-OG 3.12Å; G332-S335 PolarHBondContact O-N 3.06Å; G332-S335 PolarHBondContact O-OG 2.92Å; S335-L349 WeakPolarHBondContact O-CB 3.44Å; S335-L349 PolarHBondContact O-N 2.96Å
336Y87.8Confident82.8Confident56 Ų5677.2 Ų77.222%0.2239%0.386CS..EExtended strand (participates in β ladder)trans-147165.1-177.163.7-87.5000111.8V329 E338 L347V329-Y336 HydrophobicContact CB-CD2 4.33Å; V329-Y336 HydrophobicContact CB-CE1 4.23Å; V329-Y336 HydrophobicContact CB-CE2 3.98Å; V329-Y336 HydrophobicContact CG1-CE1 3.94Å; V329-Y336 HydrophobicContact CG1-CE2 4.28Å; V329-Y336 HydrophobicContact CG2-CE2 4.04Å; V329-Y336 PolarHBondContact N-O 2.93Å; V329-Y336 VanDerWaalsContact N-O 3.09Å; V329-Y336 PolarHBondContact O-N 2.8Å; Y336-E338 HydrophobicContact CD2-CG 4.13Å; Y336-E338 HydrophobicContact CE2-CG 3.73Å; Y336-L347 CarbonylContact C-O 3.56Å; Y336-L347 WeakPolarHBondContact CA-O 3.32Å; Y336-L347 WeakPolarHBondContact CB-O 3.45Å
337L87.5Confident82.8Confident0 Ų075 Ų750%038%0.378CS..EExtended strand (participates in β ladder)trans-112143.4171.1-57.388.1000110.4Y326 R327 L328 L347 L349 A366 A369 F370Y326-L337 HydrophobicContact CG-CD2 4.49Å; R327-L337 WeakPolarHBondContact O-CA 3.35Å; L328-L337 HydrophobicContact CD2-CD2 3.51Å; L328-L337 HydrophobicContact CD2-CG 3.84Å; L337-L347 HydrophobicContact CB-CB 4.19Å; L337-L347 PolarHBondContact N-O 3.39Å; L337-L347 WeakPolarHBondContact O-CB 3.49Å; L337-L347 PolarHBondContact O-N 3.43Å; L337-L349 HydrophobicContact CD1-CD1 3.35Å; L337-L349 HydrophobicContact CD1-CD2 4.19Å; L337-L349 HydrophobicContact CD1-CG 3.5Å; L337-L349 VanDerWaalsContact CD1-CG 3.5Å; L337-A366 HydrophobicContact CD1-CB 4.39Å; L337-A369 HydrophobicContact CD2-CB 4.11Å; L337-F370 HydrophobicContact CD1-CB 4.5Å; L337-F370 HydrophobicContact CD2-CB 4.41Å
338E87.2Confident82.8Confident63 Ų6369.1 Ų69.129%0.29436%0.359SS..EExtended strand (participates in β ladder)trans-103.5130.5170.9-64174.2171.100108.8Y326 R327 V329 Y336Y326-E338 CarbonylContact C-O 3.57Å; Y326-E338 VanDerWaalsContact CA-O 3.28Å; Y326-E338 WeakPolarHBondContact CA-O 3.35Å; R327-E338 HydrophobicContact CB-CB 4.41Å; R327-E338 PolarHBondContact N-O 2.9Å; R327-E338 IonicContact NH1-OE2 2.9Å; R327-E338 PolarHBondContact O-N 3.48Å; V329-E338 HydrophobicContact CG2-CG 4.2Å; Y336-E338 HydrophobicContact CD2-CG 4.13Å; Y336-E338 HydrophobicContact CE2-CG 3.73Å
339S84.4Confident82.6Confident11 Ų1168.9 Ų68.98%0.07736%0.358CS..EExtended strand (participates in β ladder)trans-76.5129.9170.5-177.10000110.1T341 D342S339-T341 VanDerWaalsContact C-N 3.27Å; S339-T341 PolarHBondContact O-N 3Å; S339-T341 PolarHBondContact OG-OG1 3.41Å; S339-D342 CarbonylContact O-C 3.16Å
340L80.7Confident82.4Confident96 Ų9671.2 Ų71.250%0.50336%0.364SS..SBendtrans-73.3-23.5177.4-68.5173.9000112.3Q324 R325 R327Q324-L340 WeakPolarHBondContact O-CD1 3.46Å; R325-L340 PolarHBondContact O-N 2.82Å; R327-L340 HydrophobicContact CB-CD2 4.43Å
341T77.2Confident82Confident126 Ų12669.9 Ų69.977%0.77336%0.356SS*.SBendtrans-83.6-27.517747.70000113S339S339-T341 VanDerWaalsContact C-N 3.27Å; S339-T341 PolarHBondContact O-N 3Å; S339-T341 PolarHBondContact OG-OG1 3.41Å
342D76.3Confident81.1Confident76 Ų7667.3 Ų67.341%0.40636%0.361SS..  trans-137.295.7-179.4-174.2-1.1000110.4S339 S344 K345S339-D342 CarbonylContact O-C 3.16Å; D342-S344 PolarHBondContact O-N 3.47Å; D342-S344 VanDerWaalsContact O-N 3.13Å; D342-S344 PolarHBondContact OD1-N 2.89Å; D342-S344 VanDerWaalsContact OD1-N 3.11Å; D342-K345 HydrophobicContact CB-CB 4.14Å; D342-K345 PolarHBondContact O-N 2.95Å; D342-K345 VanDerWaalsContact O-N 3.08Å
343K68.2Low80Confident206 Ų20666.9 Ų66.990%0.89636%0.357SS*.THydrogen-bonded Turntrans-62.1-17.2-179.6-74.1-173.6177.8-179.90113.7K345K343-K345 VanDerWaalsContact C-N 3.34Å
344S63.9Low79Confident108 Ų10866 Ų6676%0.75537%0.365SS*.THydrogen-bonded Turntrans-86.5-7.1178.5-169.70000112.8D342 E346D342-S344 PolarHBondContact O-N 3.47Å; D342-S344 VanDerWaalsContact O-N 3.13Å; D342-S344 PolarHBondContact OD1-N 2.89Å; D342-S344 VanDerWaalsContact OD1-N 3.11Å; S344-E346 PolarHBondContact O-N 3.31Å
345K76.6Confident77.7Confident102 Ų10267.8 Ų67.844%0.44338%0.377SS..  trans-100.588.8-174.2-162.9167.1-172173.10111D342 K343 L347D342-K345 HydrophobicContact CB-CB 4.14Å; D342-K345 PolarHBondContact O-N 2.95Å; D342-K345 VanDerWaalsContact O-N 3.08Å; K343-K345 VanDerWaalsContact C-N 3.34Å; K345-L347 HydrophobicContact CG-CD2 4.14Å; K345-L347 HydrophobicContact CG-CG 4.46Å
346E77.3Confident76.3Confident128 Ų12871.4 Ų71.460%0.59839%0.39SS*.EExtended strand (participates in β ladder)trans-75.8126.3166.8-66177.6-172.300109.7S344 P348S344-E346 PolarHBondContact O-N 3.31Å; E346-P348 WeakPolarHBondContact O-CD 3.46Å
347L83.8Confident74.7Confident5 Ų578 Ų783%0.02642%0.421CS..EExtended strand (participates in β ladder)trans-109.788.9179-67.1178.4000109Y326 Y336 L337 K345 L349 H365 A366 A369Y326-L347 HydrophobicContact CD1-CD1 4.09Å; Y326-L347 HydrophobicContact CE1-CD1 3.75Å; Y336-L347 CarbonylContact C-O 3.56Å; Y336-L347 WeakPolarHBondContact CA-O 3.32Å; Y336-L347 WeakPolarHBondContact CB-O 3.45Å; L337-L347 HydrophobicContact CB-CB 4.19Å; L337-L347 PolarHBondContact N-O 3.39Å; L337-L347 WeakPolarHBondContact O-CB 3.49Å; L337-L347 PolarHBondContact O-N 3.43Å; K345-L347 HydrophobicContact CG-CD2 4.14Å; K345-L347 HydrophobicContact CG-CG 4.46Å; L347-L349 PolarHBondContact O-N 2.89Å; L347-H365 HydrophobicContact CD2-CB 3.87Å; L347-A366 HydrophobicContact CB-CB 3.73Å; L347-A369 HydrophobicContact CD1-CB 3.67Å
348P86.4Confident72.9Confident24 Ų2486.1 Ų86.116%0.15646%0.456CS..EExtended strand (participates in β ladder)trans-70130-178.128-34.7000111.5E346 Y350 K362 A366E346-P348 WeakPolarHBondContact O-CD 3.46Å; P348-Y350 VanDerWaalsContact C-N 3.27Å; P348-Y350 HydrophobicContact CB-CD1 3.69Å; P348-Y350 HydrophobicContact CB-CE1 3.4Å; P348-Y350 VanDerWaalsContact CB-CE1 3.4Å; P348-Y350 HydrophobicContact CB-CG 4.4Å; P348-K362 HydrophobicContact CG-CB 4.35Å; P348-A366 WeakPolarHBondContact O-CB 3.37Å
349L84.3Confident71.7Confident1 Ų185.3 Ų85.31%0.00545%0.45CS..  trans-95.329.3171.2-77.1175.6000112.1W305 V309 S335 L337 L347 A366 M367 F370W305-L349 HydrophobicContact CB-CB 4.48Å; W305-L349 WeakPolarHBondContact CB-O 3.37Å; W305-L349 HydrophobicContact CE3-CD1 4.28Å; W305-L349 HydrophobicContact CE3-CD2 4.27Å; W305-L349 HydrophobicContact CZ3-CD2 4.35Å; V309-L349 HydrophobicContact CG2-CD1 3.28Å; S335-L349 WeakPolarHBondContact O-CB 3.44Å; S335-L349 PolarHBondContact O-N 2.96Å; L337-L349 HydrophobicContact CD1-CD1 3.35Å; L337-L349 HydrophobicContact CD1-CD2 4.19Å; L337-L349 HydrophobicContact CD1-CG 3.5Å; L337-L349 VanDerWaalsContact CD1-CG 3.5Å; L347-L349 PolarHBondContact O-N 2.89Å; L349-A366 HydrophobicContact CD2-CB 3.69Å; L349-A366 HydrophobicContact CG-CB 4.03Å; L349-M367 HydrophobicContact CD2-CG 3.94Å; L349-F370 HydrophobicContact CD1-CB 4.3Å; L349-F370 HydrophobicContact CD1-CD2 3.98Å; L349-F370 HydrophobicContact CD1-CG 4.32Å; L349-F370 HydrophobicContact CD2-CB 4.42Å
350Y84.1Confident70.5Confident77 Ų7789.2 Ų89.230%0.30247%0.471SS..  trans-129.6154.3174.565.4-92.6000110N302 N333 H334 P348N302-Y350 VanDerWaalsContact OD1-CA 3.3Å; N302-Y350 WeakPolarHBondContact OD1-CA 3.31Å; N333-Y350 WeakPolarHBondContact O-CB 3.47Å; H334-Y350 VanDerWaalsContact CA-CD1 3.45Å; H334-Y350 HydrophobicContact CB-CD1 3.79Å; H334-Y350 HydrophobicContact CB-CE1 3.87Å; H334-Y350 HydrophobicContact CB-CG 4.26Å; H334-Y350 AromaticContact CD2-CD2 3.52Å; H334-Y350 AromaticContact CD2-CE2 3.64Å; H334-Y350 AromaticContact CD2-CG 3.74Å; H334-Y350 AromaticContact CD2-CZ 3.94Å; P348-Y350 VanDerWaalsContact C-N 3.27Å; P348-Y350 HydrophobicContact CB-CD1 3.69Å; P348-Y350 HydrophobicContact CB-CE1 3.4Å; P348-Y350 VanDerWaalsContact CB-CE1 3.4Å; P348-Y350 HydrophobicContact CB-CG 4.4Å
351C79.4Confident70.1Confident16 Ų1687.9 Ų87.911%0.10846%0.464CS..  trans-135139.1173.4-169.70000110.9W298 N302 G353 W359W298-C351 HydrophobicContact CD2-CB 4.41Å; W298-C351 HydrophobicContact CE3-CB 3.74Å; W298-C351 HydrophobicContact CZ3-CB 3.98Å; N302-C351 PolarHBondContact ND2-O 3.45Å; N302-C351 PolarHBondContact OD1-N 3.44Å; N302-C351 PolarHBondContact OD1-O 2.89Å; C351-G353 VanDerWaalsContact C-N 3.29Å; C351-G353 PolarHBondContact O-N 3.39Å; C351-W359 HydrophobicContact CB-CH2 4.04Å; C351-W359 HydrophobicContact CB-CZ3 4.13Å; C351-W359 WeakPolarHBondContact SG-CH2 3.33Å; C351-W359 WeakPolarHBondContact SG-CZ2 3.07Å; C351-W359 WeakPolarHBondContact SG-CZ3 3.49Å
352S69.4Low70.2Confident108 Ų10887 Ų8776%0.75545%0.449SS*.  trans-86.15.2-175.9-50.60000114.2
353G64.2Low70.5Confident33 Ų3383.9 Ų83.934%0.3443%0.432SS..  trans77.6149.8-177.200000113.9C351C351-G353 VanDerWaalsContact C-N 3.29Å; C351-G353 PolarHBondContact O-N 3.39Å
354G64.7Low71.3Confident54 Ų5474.5 Ų74.556%0.55739%0.392SS*.  trans149.7176.8-176.200000112R356 W359G354-R356 PolarHBondContact O-N 3.23Å; G354-W359 WeakPolarHBondContact O-CZ2 3.28Å; G354-W359 PolarHBondContact O-NE1 3.29Å
355L58.3Low72.2Confident132 Ų13273.8 Ų73.869%0.69138%0.376SS*.  trans-68.4129.4172.2-73.3166.8000109.7F357 F358 W359L355-F357 PolarHBondContact O-N 3.13Å; L355-F358 HydrophobicContact CB-CD2 3.98Å; L355-F358 HydrophobicContact CB-CE2 4.36Å; L355-F358 HydrophobicContact CD1-CE2 4.32Å; L355-F358 PolarHBondContact O-N 3.48Å; L355-W359 PolarHBondContact O-NE1 2.84Å
356R60.6Low72.7Confident77 Ų7769 Ų6929%0.29136%0.355SS..G310 helixtrans-51-19-176.6-163.2174.3-16292.5140.5115.3G354 T415G354-R356 PolarHBondContact O-N 3.23Å; R356-T415 PolarHBondContact NE-O 3.08Å; R356-T415 VanDerWaalsContact NH1-C 3.28Å; R356-T415 PolarHBondContact NH1-O 3.11Å; R356-T415 VanDerWaalsContact NH2-CG2 3.25Å
357F53.6Low73.1Confident196 Ų19662.9 Ų62.986%0.8633%0.327SS*.G310 helixtrans-77-23.2179.5-153.7-91.3000113.6L355 W359L355-F357 PolarHBondContact O-N 3.13Å; F357-W359 VanDerWaalsContact C-N 3.32Å
358F50.6Low73.3Confident169 Ų16964 Ų6474%0.74133%0.334SS*.G310 helixtrans-92.98.1179-66.8-80.9000113L355L355-F358 HydrophobicContact CB-CD2 3.98Å; L355-F358 HydrophobicContact CB-CE2 4.36Å; L355-F358 HydrophobicContact CD1-CE2 4.32Å; L355-F358 PolarHBondContact O-N 3.48Å
359W61Low73.4Confident46 Ų4662.9 Ų62.917%0.17433%0.327CS..  trans-94131.6-172.4-65.315000110W298 C351 G354 L355 F357W298-W359 HydrophobicContact CD2-CH2 4.22Å; W298-W359 AromaticContact CE2-CH2 3.69Å; W298-W359 HydrophobicContact CE3-CH2 4.25Å; W298-W359 AromaticContact CH2-CH2 3.33Å; W298-W359 HydrophobicContact CH2-CH2 3.33Å; W298-W359 HydrophobicContact CH2-CZ2 4.47Å; W298-W359 AromaticContact CH2-CZ3 3.82Å; W298-W359 HydrophobicContact CH2-CZ3 3.82Å; W298-W359 AromaticContact CZ2-CH2 3.27Å; W298-W359 HydrophobicContact CZ2-CH2 3.27Å; W298-W359 HydrophobicContact CZ2-CZ2 4.03Å; W298-W359 HydrophobicContact CZ2-CZ3 4.18Å; W298-W359 AromaticContact CZ3-CH2 3.81Å; W298-W359 HydrophobicContact CZ3-CH2 3.81Å; W298-W359 HydrophobicContact CZ3-CZ3 4.21Å; C351-W359 HydrophobicContact CB-CH2 4.04Å; C351-W359 HydrophobicContact CB-CZ3 4.13Å; C351-W359 WeakPolarHBondContact SG-CH2 3.33Å; C351-W359 WeakPolarHBondContact SG-CZ2 3.07Å; C351-W359 WeakPolarHBondContact SG-CZ3 3.49Å; G354-W359 WeakPolarHBondContact O-CZ2 3.28Å; G354-W359 PolarHBondContact O-NE1 3.29Å; L355-W359 PolarHBondContact O-NE1 2.84Å; F357-W359 VanDerWaalsContact C-N 3.32Å
360D59.2Low73.6Confident94 Ų9462.9 Ų62.950%0.50333%0.327SS..  trans-68.9147.1169.8-165.4-10.1000109.4K362D360-K362 HydrophobicContact CB-CD 4.36Å; D360-K362 HydrophobicContact CB-CG 4.34Å; D360-K362 PolarHBondContact O-N 3.32Å; D360-K362 WeakPolarHBondContact OD2-CD 3.23Å; D360-K362 WeakPolarHBondContact OD2-CE 3.42Å; D360-K362 IonicContact OD2-NZ 3.84Å; D360-K362 PolarHBondContact OD2-NZ 3.43Å
361N72.3Confident73.8Confident67 Ų6759.2 Ų59.236%0.35831%0.312SS..THydrogen-bonded Turntrans-64.4-4.8-179.1-62.5-33.9000112.5F363 D364 H365 Q416N361-F363 VanDerWaalsContact C-N 3.32Å; N361-F363 PolarHBondContact O-N 3.49Å; N361-D364 PolarHBondContact O-N 2.97Å; N361-D364 VanDerWaalsContact O-N 3.16Å; N361-H365 VanDerWaalsContact CB-CE1 3.48Å; N361-H365 WeakPolarHBondContact CB-CE1 3.22Å; N361-H365 WeakPolarHBondContact CB-ND1 3.13Å; N361-H365 PolarHBondContact O-N 2.94Å; N361-H365 PolarHBondContact O-ND1 2.66Å; N361-Q416 PolarHBondContact OD1-OE1 3.36Å
362K80.9Confident74.3Confident108 Ų10858.8 Ų58.847%0.4731%0.309SS..Hα-helixtrans-53.3-42.6-178-72.9175178.3140.50113.5P348 D360 H365 A366P348-K362 HydrophobicContact CG-CB 4.35Å; D360-K362 HydrophobicContact CB-CD 4.36Å; D360-K362 HydrophobicContact CB-CG 4.34Å; D360-K362 PolarHBondContact O-N 3.32Å; D360-K362 WeakPolarHBondContact OD2-CD 3.23Å; D360-K362 WeakPolarHBondContact OD2-CE 3.42Å; D360-K362 IonicContact OD2-NZ 3.84Å; D360-K362 PolarHBondContact OD2-NZ 3.43Å; K362-H365 PolarHBondContact O-N 3.21Å; K362-A366 WeakPolarHBondContact O-CB 3.41Å; K362-A366 PolarHBondContact O-N 2.91Å
363F82.3Confident75.1Confident10 Ų1053.6 Ų53.64%0.04427%0.273CS..Hα-helixtrans-66.4-40.6178.7-177.1-113.4000111.9W305 N361 A366 M367 T415 W423W305-F363 AromaticContact NE1-CZ 3.82Å; N361-F363 VanDerWaalsContact C-N 3.32Å; N361-F363 PolarHBondContact O-N 3.49Å; F363-A366 WeakPolarHBondContact O-CB 3.31Å; F363-A366 PolarHBondContact O-N 2.91Å; F363-M367 HydrophobicContact CD1-CE 3.55Å; F363-M367 HydrophobicContact CD1-SD 4.16Å; F363-M367 HydrophobicContact CE1-CE 3.47Å; F363-M367 VanDerWaalsContact CE1-CE 3.47Å; F363-M367 HydrophobicContact CE1-CG 4.37Å; F363-M367 HydrophobicContact CE1-SD 3.53Å; F363-M367 VanDerWaalsContact CE1-SD 3.53Å; F363-M367 HydrophobicContact CE2-CG 4.46Å; F363-M367 HydrophobicContact CG-CE 4.37Å; F363-M367 HydrophobicContact CZ-CE 4.23Å; F363-M367 HydrophobicContact CZ-CG 4.23Å; F363-M367 HydrophobicContact CZ-SD 3.73Å; F363-M367 WeakPolarHBondContact O-CG 3.48Å; F363-M367 PolarHBondContact O-N 2.88Å; F363-T415 HydrophobicContact CD1-CG2 4.17Å; F363-T415 HydrophobicContact CE1-CG2 3.97Å; F363-W423 HydrophobicContact CE1-CZ2 4.13Å; F363-W423 HydrophobicContact CZ-CZ2 4.39Å
364D83.6Confident76.2Confident9 Ų952.1 Ų52.15%0.04826%0.257CS..Hα-helixtrans-66.5-40.8175.7-78.9-6.8000112.3N361 A366 M367 V368 K414 T415 Q416N361-D364 PolarHBondContact O-N 2.97Å; N361-D364 VanDerWaalsContact O-N 3.16Å; D364-A366 VanDerWaalsContact C-N 3.31Å; D364-A366 PolarHBondContact O-N 2.86Å; D364-M367 PolarHBondContact O-N 3.41Å; D364-M367 WeakPolarHBondContact OD1-CE 3.48Å; D364-V368 VanDerWaalsContact O-CG2 3.31Å; D364-V368 WeakPolarHBondContact O-CG2 3.47Å; D364-V368 PolarHBondContact O-N 3.26Å; D364-K414 HydrophobicContact CB-CB 4.37Å; D364-K414 HydrophobicContact CB-CG 4.22Å; D364-T415 VanDerWaalsContact CG-OG1 3.23Å; D364-T415 WeakPolarHBondContact OD1-CB 3.42Å; D364-T415 PolarHBondContact OD1-N 3.48Å; D364-T415 PolarHBondContact OD1-OG1 2.94Å; D364-T415 PolarHBondContact OD2-N 3.4Å; D364-T415 PolarHBondContact OD2-OG1 2.93Å; D364-Q416 VanDerWaalsContact OD2-CB 3.31Å; D364-Q416 WeakPolarHBondContact OD2-CB 3.31Å; D364-Q416 PolarHBondContact OD2-N 3.33Å
365H84Confident77.3Confident94 Ų9451 Ų5144%0.43524%0.238SC..Hα-helixtrans-64.2-37.5173.4-70.691.3000111.6L347 N361 K362 V368 A369L347-H365 HydrophobicContact CD2-CB 3.87Å; N361-H365 VanDerWaalsContact CB-CE1 3.48Å; N361-H365 WeakPolarHBondContact CB-CE1 3.22Å; N361-H365 WeakPolarHBondContact CB-ND1 3.13Å; N361-H365 PolarHBondContact O-N 2.94Å; N361-H365 PolarHBondContact O-ND1 2.66Å; K362-H365 PolarHBondContact O-N 3.21Å; H365-V368 PolarHBondContact O-N 2.93Å; H365-A369 VanDerWaalsContact O-CB 3.28Å; H365-A369 WeakPolarHBondContact O-CB 3.36Å; H365-A369 PolarHBondContact O-N 2.72Å
366A86.6Confident78.6Confident0 Ų045.4 Ų45.40%021%0.208CC..Hα-helixtrans-64.7-43.9176.100000112.1L337 L347 P348 L349 K362 F363 D364 A369 F370L337-A366 HydrophobicContact CD1-CB 4.39Å; L347-A366 HydrophobicContact CB-CB 3.73Å; P348-A366 WeakPolarHBondContact O-CB 3.37Å; L349-A366 HydrophobicContact CD2-CB 3.69Å; L349-A366 HydrophobicContact CG-CB 4.03Å; K362-A366 WeakPolarHBondContact O-CB 3.41Å; K362-A366 PolarHBondContact O-N 2.91Å; F363-A366 WeakPolarHBondContact O-CB 3.31Å; F363-A366 PolarHBondContact O-N 2.91Å; D364-A366 VanDerWaalsContact C-N 3.31Å; D364-A366 PolarHBondContact O-N 2.86Å; A366-A369 PolarHBondContact O-N 3.4Å; A366-F370 WeakPolarHBondContact O-CB 3.14Å; A366-F370 PolarHBondContact O-N 3.37Å
367M86.1Confident79.8Confident0 Ų041.8 Ų41.80%019%0.194CC..Hα-helixtrans-65.7-37.4176.4-70.8-174.6-65.300112.6W305 L349 F363 D364 F370 L371 I413 T415 W423W305-M367 HydrophobicContact CH2-CG 3.95Å; W305-M367 HydrophobicContact CH2-SD 4.34Å; W305-M367 HydrophobicContact CZ2-CG 3.74Å; W305-M367 HydrophobicContact CZ2-SD 3.67Å; L349-M367 HydrophobicContact CD2-CG 3.94Å; F363-M367 HydrophobicContact CD1-CE 3.55Å; F363-M367 HydrophobicContact CD1-SD 4.16Å; F363-M367 HydrophobicContact CE1-CE 3.47Å; F363-M367 VanDerWaalsContact CE1-CE 3.47Å; F363-M367 HydrophobicContact CE1-CG 4.37Å; F363-M367 HydrophobicContact CE1-SD 3.53Å; F363-M367 VanDerWaalsContact CE1-SD 3.53Å; F363-M367 HydrophobicContact CE2-CG 4.46Å; F363-M367 HydrophobicContact CG-CE 4.37Å; F363-M367 HydrophobicContact CZ-CE 4.23Å; F363-M367 HydrophobicContact CZ-CG 4.23Å; F363-M367 HydrophobicContact CZ-SD 3.73Å; F363-M367 WeakPolarHBondContact O-CG 3.48Å; F363-M367 PolarHBondContact O-N 2.88Å; D364-M367 PolarHBondContact O-N 3.41Å; D364-M367 WeakPolarHBondContact OD1-CE 3.48Å; M367-F370 PolarHBondContact O-N 3.08Å; M367-L371 WeakPolarHBondContact O-CB 3.39Å; M367-L371 PolarHBondContact O-N 3.38Å; M367-I413 HydrophobicContact CB-CD1 4.22Å; M367-I413 HydrophobicContact CB-CG1 4.17Å; M367-I413 HydrophobicContact CB-CG2 4.2Å; M367-I413 WeakPolarHBondContact CE-O 3.43Å; M367-I413 HydrophobicContact SD-CG1 4.32Å; M367-T415 HydrophobicContact CE-CG2 4.06Å; M367-W423 HydrophobicContact SD-CZ2 4.37Å
368V88.2Confident81.3Confident29 Ų2933.1 Ų33.118%0.17616%0.156CC..Hα-helixtrans-67.9-41.7174.4173.90000111.1D364 H365 F370 L371 D372 I413 K414D364-V368 VanDerWaalsContact O-CG2 3.31Å; D364-V368 WeakPolarHBondContact O-CG2 3.47Å; D364-V368 PolarHBondContact O-N 3.26Å; H365-V368 PolarHBondContact O-N 2.93Å; V368-F370 VanDerWaalsContact C-N 3.28Å; V368-F370 PolarHBondContact O-N 2.87Å; V368-L371 WeakPolarHBondContact O-CB 3.38Å; V368-L371 PolarHBondContact O-N 3.18Å; V368-D372 PolarHBondContact O-N 2.95Å; V368-I413 HydrophobicContact CG2-CG2 4.21Å; V368-K414 HydrophobicContact CG2-CD 4.48Å; V368-K414 HydrophobicContact CG2-CG 4.1Å
369A87.5Confident82.9Confident1 Ų129.3 Ų29.31%0.00814%0.141CC..Hα-helixtrans-62.8-35.8173.900000112.1Y326 L337 L347 H365 A366 D372 C373Y326-A369 HydrophobicContact CD1-CB 3.86Å; Y326-A369 HydrophobicContact CD2-CB 3.85Å; Y326-A369 HydrophobicContact CE1-CB 3.64Å; Y326-A369 HydrophobicContact CE2-CB 3.62Å; Y326-A369 HydrophobicContact CG-CB 3.97Å; L337-A369 HydrophobicContact CD2-CB 4.11Å; L347-A369 HydrophobicContact CD1-CB 3.67Å; H365-A369 VanDerWaalsContact O-CB 3.28Å; H365-A369 WeakPolarHBondContact O-CB 3.36Å; H365-A369 PolarHBondContact O-N 2.72Å; A366-A369 PolarHBondContact O-N 3.4Å; A369-D372 WeakPolarHBondContact O-CB 3.36Å; A369-D372 PolarHBondContact O-N 2.96Å; A369-C373 PolarHBondContact O-N 3.22Å; A369-C373 VanDerWaalsContact O-N 3.14Å; A369-C373 PolarHBondContact O-SG 3.37Å
370F89.5Confident83.9Confident0 Ų030.4 Ų30.40%015%0.148CC..Hα-helixtrans-66.2-45.6172.5-174.5-95.5000111.7W305 T308 V309 L312 L328 L337 L349 A366 M367 V368 D372 C373 V374 M430 L434W305-F370 AromaticContact CZ3-CD1 3.81Å; W305-F370 HydrophobicContact CZ3-CD1 3.81Å; W305-F370 HydrophobicContact CZ3-CE1 4.12Å; W305-F370 HydrophobicContact CZ3-CG 4.22Å; T308-F370 HydrophobicContact CG2-CE1 3.98Å; T308-F370 HydrophobicContact CG2-CZ 3.7Å; V309-F370 HydrophobicContact CG2-CD2 4.22Å; V309-F370 HydrophobicContact CG2-CE2 4.01Å; L312-F370 HydrophobicContact CB-CE2 4.16Å; L312-F370 HydrophobicContact CB-CZ 4.14Å; L312-F370 HydrophobicContact CD2-CD2 4.18Å; L312-F370 HydrophobicContact CD2-CE1 4.43Å; L312-F370 HydrophobicContact CD2-CE2 3.46Å; L312-F370 VanDerWaalsContact CD2-CE2 3.46Å; L312-F370 HydrophobicContact CD2-CZ 3.59Å; L312-F370 HydrophobicContact CG-CE2 4.45Å; L328-F370 HydrophobicContact CD2-CD2 4.1Å; L328-F370 HydrophobicContact CD2-CE2 4.37Å; L337-F370 HydrophobicContact CD1-CB 4.5Å; L337-F370 HydrophobicContact CD2-CB 4.41Å; L349-F370 HydrophobicContact CD1-CB 4.3Å; L349-F370 HydrophobicContact CD1-CD2 3.98Å; L349-F370 HydrophobicContact CD1-CG 4.32Å; L349-F370 HydrophobicContact CD2-CB 4.42Å; A366-F370 WeakPolarHBondContact O-CB 3.14Å; A366-F370 PolarHBondContact O-N 3.37Å; M367-F370 PolarHBondContact O-N 3.08Å; V368-F370 VanDerWaalsContact C-N 3.28Å; V368-F370 PolarHBondContact O-N 2.87Å; F370-D372 PolarHBondContact O-N 3.44Å; F370-C373 WeakPolarHBondContact O-CA 3.36Å; F370-C373 WeakPolarHBondContact O-CB 2.99Å; F370-C373 PolarHBondContact O-N 2.88Å; F370-V374 HydrophobicContact CD1-CG2 3.94Å; F370-V374 HydrophobicContact CE1-CG2 3.51Å; F370-V374 HydrophobicContact CZ-CG2 3.98Å; F370-V374 WeakPolarHBondContact O-CG2 3.2Å; F370-V374 PolarHBondContact O-N 2.93Å; F370-M430 HydrophobicContact CD1-SD 3.71Å; F370-M430 HydrophobicContact CE1-CE 4.18Å; F370-M430 HydrophobicContact CE1-CG 4.45Å; F370-M430 HydrophobicContact CE1-SD 3.58Å; F370-M430 VanDerWaalsContact CE1-SD 3.58Å; F370-L434 HydrophobicContact CE1-CD1 4.38Å; F370-L434 HydrophobicContact CZ-CD1 4.33Å
371L88.4Confident84.8Confident0 Ų026 Ų260%012%0.124CC..Hα-helixtrans-58.3-37.8176.3-17166.5000111.7M367 V368 V374 Q375 M394 I401M367-L371 WeakPolarHBondContact O-CB 3.39Å; M367-L371 PolarHBondContact O-N 3.38Å; V368-L371 WeakPolarHBondContact O-CB 3.38Å; V368-L371 PolarHBondContact O-N 3.18Å; L371-V374 PolarHBondContact O-N 3.33Å; L371-Q375 PolarHBondContact O-N 3.01Å; L371-M394 HydrophobicContact CD1-CB 4.04Å; L371-M394 HydrophobicContact CD1-CG 3.81Å; L371-M394 HydrophobicContact CD1-SD 3.58Å; L371-M394 VanDerWaalsContact CD1-SD 3.58Å; L371-M394 HydrophobicContact CG-CB 4.29Å; L371-I401 HydrophobicContact CD1-CD1 3.89Å; L371-I401 HydrophobicContact CD1-CG1 3.93Å; L371-I401 HydrophobicContact CD2-CG1 4.4Å
372D88.4Confident85.1Confident7 Ų725.8 Ų25.84%0.03712%0.121CC..Hα-helixtrans-62.5-40.7173.4-174.422.9000112.7R325 Y326 V368 A369 F370 V374 Q375 Q376 V396R325-D372 IonicContact CZ-OD1 3.73Å; R325-D372 IonicContact CZ-OD2 2.68Å; R325-D372 IonicContact NE-OD1 2.75Å; R325-D372 IonicContact NE-OD2 2.63Å; R325-D372 PolarHBondContact NE-OD2 2.9Å; R325-D372 VanDerWaalsContact NH2-CG 3.28Å; R325-D372 IonicContact NH2-OD1 3.73Å; R325-D372 PolarHBondContact NH2-OD1 3.38Å; R325-D372 IonicContact NH2-OD2 3.56Å; R325-D372 PolarHBondContact NH2-OD2 2.83Å; Y326-D372 HydrophobicContact CE2-CB 4.25Å; Y326-D372 VanDerWaalsContact CE2-OD2 3.31Å; Y326-D372 WeakPolarHBondContact CE2-OD2 3.18Å; V368-D372 PolarHBondContact O-N 2.95Å; A369-D372 WeakPolarHBondContact O-CB 3.36Å; A369-D372 PolarHBondContact O-N 2.96Å; F370-D372 PolarHBondContact O-N 3.44Å; D372-V374 VanDerWaalsContact C-N 3.35Å; D372-V374 PolarHBondContact O-N 2.98Å; D372-Q375 PolarHBondContact O-N 3.29Å; D372-Q376 PolarHBondContact O-N 3.28Å; D372-Q376 PolarHBondContact OD1-NE2 3.23Å; D372-V396 HydrophobicContact CB-CG1 3.68Å
373C87.5Confident84.8Confident0 Ų027 Ų270%013%0.126CC..Hα-helixtrans-63.8-40.1172.9-610000111.7L312 F323 L328 A369 F370 Q375 Q376 F377L312-C373 HydrophobicContact CD2-CB 3.87Å; F323-C373 HydrophobicContact CD1-CB 4.03Å; F323-C373 HydrophobicContact CE1-CB 3.91Å; F323-C373 VanDerWaalsContact CE1-O 3.22Å; F323-C373 WeakPolarHBondContact CE1-O 3.46Å; F323-C373 HydrophobicContact CG-CB 4.47Å; F323-C373 HydrophobicContact CZ-CB 4.23Å; L328-C373 HydrophobicContact CD2-CB 4.49Å; A369-C373 PolarHBondContact O-N 3.22Å; A369-C373 VanDerWaalsContact O-N 3.14Å; A369-C373 PolarHBondContact O-SG 3.37Å; F370-C373 WeakPolarHBondContact O-CA 3.36Å; F370-C373 WeakPolarHBondContact O-CB 2.99Å; F370-C373 PolarHBondContact O-N 2.88Å; C373-Q375 VanDerWaalsContact C-N 3.3Å; C373-Q375 PolarHBondContact O-N 2.85Å; C373-Q376 PolarHBondContact O-N 2.91Å; C373-F377 WeakPolarHBondContact O-CB 3.18Å; C373-F377 PolarHBondContact O-N 3.43Å
374V87.6Confident83.8Confident1 Ų128.4 Ų28.41%0.00614%0.143CC..Hα-helixtrans-66.4-34.4176.4-174.90000111.1L312 F370 L371 D372 F377 K378 M394 L434L312-V374 HydrophobicContact CD2-CG2 3.83Å; F370-V374 HydrophobicContact CD1-CG2 3.94Å; F370-V374 HydrophobicContact CE1-CG2 3.51Å; F370-V374 HydrophobicContact CZ-CG2 3.98Å; F370-V374 WeakPolarHBondContact O-CG2 3.2Å; F370-V374 PolarHBondContact O-N 2.93Å; L371-V374 PolarHBondContact O-N 3.33Å; D372-V374 VanDerWaalsContact C-N 3.35Å; D372-V374 PolarHBondContact O-N 2.98Å; V374-F377 WeakPolarHBondContact O-CB 3.2Å; V374-F377 PolarHBondContact O-N 3.22Å; V374-K378 WeakPolarHBondContact O-CB 3.36Å; V374-K378 PolarHBondContact O-N 2.95Å; V374-M394 HydrophobicContact CB-CE 4.33Å; V374-M394 HydrophobicContact CB-SD 4.04Å; V374-M394 HydrophobicContact CG1-CE 3.85Å; V374-M394 HydrophobicContact CG1-SD 3.62Å; V374-L434 HydrophobicContact CG1-CD2 4.21Å; V374-L434 HydrophobicContact CG2-CD2 4.24Å
375Q86.9Confident82.3Confident32 Ų3236.1 Ų36.115%0.1518%0.184CC..Hα-helixtrans-67.7-44.5174.217962.32100112.2L371 D372 C373 F377 K378 E379 M394 V396L371-Q375 PolarHBondContact O-N 3.01Å; D372-Q375 PolarHBondContact O-N 3.29Å; C373-Q375 VanDerWaalsContact C-N 3.3Å; C373-Q375 PolarHBondContact O-N 2.85Å; Q375-F377 VanDerWaalsContact C-N 3.27Å; Q375-F377 PolarHBondContact O-N 3.46Å; Q375-K378 WeakPolarHBondContact O-CB 3.45Å; Q375-K378 PolarHBondContact O-N 3.47Å; Q375-K378 VanDerWaalsContact O-N 3.12Å; Q375-E379 PolarHBondContact NE2-OE1 2.94Å; Q375-E379 PolarHBondContact O-N 3.27Å; Q375-M394 HydrophobicContact CB-CE 4.12Å; Q375-M394 VanDerWaalsContact OE1-CE 3.3Å; Q375-V396 HydrophobicContact CB-CG2 3.62Å; Q375-V396 HydrophobicContact CG-CG2 3.75Å
376Q86Confident81.1Confident14 Ų1434.2 Ų34.27%0.06518%0.18CC..Hα-helixtrans-60-40.7172.7-74.1170.747.400111.4F323 D372 C373 E379 E380F323-Q376 HydrophobicContact CD1-CB 4.09Å; F323-Q376 HydrophobicContact CE1-CB 4.41Å; D372-Q376 PolarHBondContact O-N 3.28Å; D372-Q376 PolarHBondContact OD1-NE2 3.23Å; C373-Q376 PolarHBondContact O-N 2.91Å; Q376-E379 PolarHBondContact O-N 2.9Å; Q376-E380 WeakPolarHBondContact O-CG 3.36Å; Q376-E380 PolarHBondContact O-N 2.86Å
377F85.2Confident79.8Confident1 Ų139 Ų390%0.00423%0.228CC..Hα-helixtrans-62.3-42.2173.9174.7-96.5000112L312 L315 M319 F323 C373 V374 Q375 E380 V381 V441L312-F377 HydrophobicContact CD1-CB 4.12Å; L312-F377 HydrophobicContact CD1-CD1 4.49Å; L312-F377 HydrophobicContact CD1-CD2 4.3Å; L312-F377 HydrophobicContact CD1-CG 4.05Å; L315-F377 HydrophobicContact CB-CE2 3.86Å; L315-F377 HydrophobicContact CB-CZ 4.24Å; L315-F377 HydrophobicContact CD1-CE2 4.41Å; L315-F377 HydrophobicContact CD1-CZ 3.98Å; M319-F377 HydrophobicContact CE-CE2 3.56Å; M319-F377 HydrophobicContact CE-CZ 3.76Å; M319-F377 HydrophobicContact SD-CD2 3.95Å; M319-F377 HydrophobicContact SD-CE2 3.41Å; M319-F377 WeakPolarHBondContact SD-CE2 3.45Å; M319-F377 HydrophobicContact SD-CZ 4.22Å; F323-F377 HydrophobicContact CE1-CB 4.42Å; C373-F377 WeakPolarHBondContact O-CB 3.18Å; C373-F377 PolarHBondContact O-N 3.43Å; V374-F377 WeakPolarHBondContact O-CB 3.2Å; V374-F377 PolarHBondContact O-N 3.22Å; Q375-F377 VanDerWaalsContact C-N 3.27Å; Q375-F377 PolarHBondContact O-N 3.46Å; F377-E380 PolarHBondContact O-N 3.14Å; F377-V381 HydrophobicContact CD1-CG2 4.14Å; F377-V381 HydrophobicContact CE1-CG2 3.72Å; F377-V381 HydrophobicContact CE2-CG2 4.18Å; F377-V381 HydrophobicContact CZ-CG2 3.74Å; F377-V381 VanDerWaalsContact O-CG2 3.23Å; F377-V381 WeakPolarHBondContact O-CG2 3.42Å; F377-V381 PolarHBondContact O-N 3.39Å; F377-V441 HydrophobicContact CE2-CG2 4.34Å; F377-V441 HydrophobicContact CZ-CG2 3.88Å
378K85.4Confident78.8Confident14 Ų1441.1 Ų41.16%0.06124%0.238CC..Hα-helixtrans-58.8-48175.6178.1-173.7171.6-179.30111.7V374 Q375 E380 V381 E382 L390 M394V374-K378 WeakPolarHBondContact O-CB 3.36Å; V374-K378 PolarHBondContact O-N 2.95Å; Q375-K378 WeakPolarHBondContact O-CB 3.45Å; Q375-K378 PolarHBondContact O-N 3.47Å; Q375-K378 VanDerWaalsContact O-N 3.12Å; K378-E380 VanDerWaalsContact C-N 3.29Å; K378-E380 PolarHBondContact O-N 3.12Å; K378-V381 WeakPolarHBondContact O-CB 3.48Å; K378-V381 PolarHBondContact O-N 3.03Å; K378-E382 WeakPolarHBondContact CE-OE1 3.28Å; K378-E382 WeakPolarHBondContact CE-OE2 3.42Å; K378-E382 HydrophobicContact CG-CG 4.38Å; K378-E382 IonicContact NZ-OE1 2.77Å; K378-E382 WeakPolarHBondContact O-CB 3.37Å; K378-E382 WeakPolarHBondContact O-CG 3.41Å; K378-E382 PolarHBondContact O-N 3.42Å; K378-L390 HydrophobicContact CB-CD1 3.71Å; K378-L390 HydrophobicContact CD-CB 4.36Å; K378-L390 HydrophobicContact CD-CD1 4.1Å; K378-L390 HydrophobicContact CD-CG 4.49Å; K378-L390 HydrophobicContact CG-CB 4.46Å; K378-L390 HydrophobicContact CG-CD1 3.69Å; K378-L390 HydrophobicContact CG-CG 4.09Å; K378-M394 HydrophobicContact CB-CE 4.06Å; K378-M394 HydrophobicContact CD-CE 3.92Å
379E84.4Confident77.9Confident89 Ų8943 Ų4342%0.41625%0.252SS..Hα-helixtrans-61.5-38.5-179-72.8169.2-162.400111.8Q375 Q376 E382 K383Q375-E379 PolarHBondContact NE2-OE1 2.94Å; Q375-E379 PolarHBondContact O-N 3.27Å; Q376-E379 PolarHBondContact O-N 2.9Å; E379-E382 PolarHBondContact O-N 3.49Å; E379-K383 VanDerWaalsContact O-CG 3.27Å; E379-K383 WeakPolarHBondContact O-CG 3.44Å; E379-K383 PolarHBondContact O-N 3.24Å
380E81.4Confident77.4Confident69 Ų6943.2 Ų43.232%0.32225%0.252SS..Hα-helixtrans-70.8-34.9176.2-65.8-67.4151.600113L321 Q376 F377 K378 E382 K383L321-E380 HydrophobicContact CD1-CG 3.57Å; L321-E380 HydrophobicContact CD2-CB 4.15Å; L321-E380 HydrophobicContact CD2-CG 3.77Å; L321-E380 HydrophobicContact CG-CG 4.26Å; Q376-E380 WeakPolarHBondContact O-CG 3.36Å; Q376-E380 PolarHBondContact O-N 2.86Å; F377-E380 PolarHBondContact O-N 3.14Å; K378-E380 VanDerWaalsContact C-N 3.29Å; K378-E380 PolarHBondContact O-N 3.12Å; E380-E382 VanDerWaalsContact C-N 3.34Å; E380-K383 IonicContact OE1-NZ 3.18Å; E380-K383 PolarHBondContact OE1-NZ 3.38Å; E380-K383 IonicContact OE2-NZ 3.32Å
381V79.2Confident76.8Confident0 Ų045.4 Ų45.40%027%0.266CS..Hα-helixtrans-65-39171.9170.50000111.1M319 F377 K378 F388 W440M319-V381 HydrophobicContact CE-CG2 3.44Å; M319-V381 VanDerWaalsContact CE-CG2 3.44Å; M319-V381 HydrophobicContact SD-CG2 4.3Å; F377-V381 HydrophobicContact CD1-CG2 4.14Å; F377-V381 HydrophobicContact CE1-CG2 3.72Å; F377-V381 HydrophobicContact CE2-CG2 4.18Å; F377-V381 HydrophobicContact CZ-CG2 3.74Å; F377-V381 VanDerWaalsContact O-CG2 3.23Å; F377-V381 WeakPolarHBondContact O-CG2 3.42Å; F377-V381 PolarHBondContact O-N 3.39Å; K378-V381 WeakPolarHBondContact O-CB 3.48Å; K378-V381 PolarHBondContact O-N 3.03Å; V381-F388 HydrophobicContact CG1-CD1 3.7Å; V381-F388 HydrophobicContact CG1-CE1 3.87Å; V381-W440 HydrophobicContact CG1-CD2 3.66Å; V381-W440 HydrophobicContact CG1-CE3 3.96Å; V381-W440 HydrophobicContact CG1-CG 4.01Å; V381-W440 HydrophobicContact CG1-CH2 4.4Å; V381-W440 HydrophobicContact CG1-CZ2 4.12Å; V381-W440 HydrophobicContact CG1-CZ3 4.35Å; V381-W440 HydrophobicContact CG2-CE3 4.17Å; V381-W440 HydrophobicContact CG2-CZ3 4.27Å; V381-W440 VanDerWaalsContact O-CZ2 3.31Å; V381-W440 WeakPolarHBondContact O-CZ2 3.5Å
382E77.8Confident76.5Confident63 Ų6347.5 Ų47.529%0.29428%0.275SS..Hα-helixtrans-79.8-21.6-178-72.3-179.9168.800113.5K378 E379 E380 G384 C389K378-E382 WeakPolarHBondContact CE-OE1 3.28Å; K378-E382 WeakPolarHBondContact CE-OE2 3.42Å; K378-E382 HydrophobicContact CG-CG 4.38Å; K378-E382 IonicContact NZ-OE1 2.77Å; K378-E382 WeakPolarHBondContact O-CB 3.37Å; K378-E382 WeakPolarHBondContact O-CG 3.41Å; K378-E382 PolarHBondContact O-N 3.42Å; E379-E382 PolarHBondContact O-N 3.49Å; E380-E382 VanDerWaalsContact C-N 3.34Å; E382-G384 VanDerWaalsContact C-N 3.26Å; E382-G384 PolarHBondContact O-N 3.19Å; E382-C389 WeakPolarHBondContact OE1-CA 3.42Å; E382-C389 PolarHBondContact OE1-SG 3.41Å
383K74.6Confident76.2Confident135 Ų13553.9 Ų53.959%0.58730%0.298SS*.THydrogen-bonded Turntrans-63.7-26.5176.6-85.9173.2-169.5178.10114.1E379 E380 D385E379-K383 VanDerWaalsContact O-CG 3.27Å; E379-K383 WeakPolarHBondContact O-CG 3.44Å; E379-K383 PolarHBondContact O-N 3.24Å; E380-K383 IonicContact OE1-NZ 3.18Å; E380-K383 PolarHBondContact OE1-NZ 3.38Å; E380-K383 IonicContact OE2-NZ 3.32Å; K383-D385 PolarHBondContact O-N 3.39Å
384G61.6Low75.8Confident38 Ų3854.7 Ų54.739%0.39230%0.302SS..SBendtrans-85.892.1174.700000109.7E382 T386E382-G384 VanDerWaalsContact C-N 3.26Å; E382-G384 PolarHBondContact O-N 3.19Å; G384-T386 WeakPolarHBondContact O-CB 3.44Å; G384-T386 WeakPolarHBondContact O-CG2 3.31Å; G384-T386 PolarHBondContact O-N 3.38Å; G384-T386 PolarHBondContact O-OG1 3.37Å
385D51.8Low75.5Confident172 Ų17257 Ų5792%0.9232%0.315SS*.SBendtrans-22.562.8177-88.4-30.1000116.7K383K383-D385 PolarHBondContact O-N 3.39Å
386T58.6Low75.1Confident54 Ų5457.2 Ų57.233%0.33132%0.318SS..  trans-128.3125174.956.70000102.5G384 F388 W440G384-T386 WeakPolarHBondContact O-CB 3.44Å; G384-T386 WeakPolarHBondContact O-CG2 3.31Å; G384-T386 PolarHBondContact O-N 3.38Å; G384-T386 PolarHBondContact O-OG1 3.37Å; T386-F388 PolarHBondContact O-N 2.98Å; T386-W440 PolarHBondContact OG1-NE1 3.15Å
387G59.4Low74.4Confident99 Ų9965.4 Ų65.4100%1.02136%0.356SS*.  trans-64.230.5-179.300000114.4
388F66.2Low73.7Confident46 Ų4671.1 Ų71.120%0.20238%0.381CS..  trans-85.9111.7177.2-175.6-94.8000109.3V381 T386 L390 W436 W440V381-F388 HydrophobicContact CG1-CD1 3.7Å; V381-F388 HydrophobicContact CG1-CE1 3.87Å; T386-F388 PolarHBondContact O-N 2.98Å; F388-L390 HydrophobicContact CE1-CD2 3.98Å; F388-L390 HydrophobicContact CZ-CD2 4.36Å; F388-W436 AromaticContact CE2-CE3 3.68Å; F388-W436 HydrophobicContact CE2-CE3 3.68Å; F388-W436 HydrophobicContact CE2-CZ3 4.2Å; F388-W436 HydrophobicContact CZ-CB 4.15Å; F388-W436 AromaticContact CZ-CE3 3.98Å; F388-W436 HydrophobicContact CZ-CE3 3.98Å; F388-W436 WeakPolarHBondContact CZ-O 3.36Å; F388-W440 HydrophobicContact CD1-CB 4.24Å; F388-W440 AromaticContact CD1-CD1 3.34Å; F388-W440 AromaticContact CD1-CG 3.88Å; F388-W440 HydrophobicContact CD1-CG 3.88Å; F388-W440 AromaticContact CD1-NE1 3.85Å; F388-W440 AromaticContact CD2-CD1 3.75Å; F388-W440 HydrophobicContact CE1-CB 3.7Å; F388-W440 AromaticContact CE1-CD1 3.72Å; F388-W440 AromaticContact CE1-CG 3.85Å; F388-W440 HydrophobicContact CE1-CG 3.85Å; F388-W440 HydrophobicContact CE2-CB 4.2Å; F388-W440 AromaticContact CG-CD1 3.34Å; F388-W440 HydrophobicContact CG-CG 4.26Å; F388-W440 AromaticContact CG-NE1 3.87Å; F388-W440 HydrophobicContact CZ-CB 3.68Å; F388-W440 HydrophobicContact CZ-CG 4.19Å
389C69.3Low73.5Confident69 Ų6970.5 Ų70.547%0.46638%0.378SS..  trans-115.8139172.3-169.70000107.9E382E382-C389 WeakPolarHBondContact OE1-CA 3.42Å; E382-C389 PolarHBondContact OE1-SG 3.41Å
390L75.8Confident73.5Confident4 Ų470 Ų702%0.02138%0.375CS..  trans-62.5137171.8-68.1179.9000109.7K378 F388 Y392 N433 W436K378-L390 HydrophobicContact CB-CD1 3.71Å; K378-L390 HydrophobicContact CD-CB 4.36Å; K378-L390 HydrophobicContact CD-CD1 4.1Å; K378-L390 HydrophobicContact CD-CG 4.49Å; K378-L390 HydrophobicContact CG-CB 4.46Å; K378-L390 HydrophobicContact CG-CD1 3.69Å; K378-L390 HydrophobicContact CG-CG 4.09Å; F388-L390 HydrophobicContact CE1-CD2 3.98Å; F388-L390 HydrophobicContact CZ-CD2 4.36Å; L390-Y392 VanDerWaalsContact C-N 3.26Å; L390-Y392 PolarHBondContact O-N 2.96Å; L390-N433 HydrophobicContact CD1-CB 4.23Å; L390-N433 WeakPolarHBondContact CD2-O 3.35Å; L390-W436 HydrophobicContact CD2-CB 3.88Å
391P78Confident73.6Confident46 Ų4666.8 Ų66.830%0.29936%0.36SS..SBendtrans-64.9-26.9-169.424.2-34.3000113.9N433 W436P391-N433 WeakPolarHBondContact CD-OD1 3.21Å; P391-W436 HydrophobicContact CG-CD2 4.27Å; P391-W436 HydrophobicContact CG-CG 4.05Å
392Y82.1Confident73.8Confident44 Ų4470.3 Ų70.317%0.17338%0.376CS..SBendtrans-111.5125.9179-55.5-67.7000111.3L390 D403 F429 T432 N433L390-Y392 VanDerWaalsContact C-N 3.26Å; L390-Y392 PolarHBondContact O-N 2.96Å; Y392-D403 WeakPolarHBondContact CE1-OD1 3.49Å; Y392-F429 HydrophobicContact CD1-CB 4.33Å; Y392-F429 HydrophobicContact CD1-CD1 4.17Å; Y392-F429 HydrophobicContact CD1-CD2 4.38Å; Y392-F429 HydrophobicContact CD1-CG 4.08Å; Y392-F429 HydrophobicContact CD2-CB 3.75Å; Y392-F429 HydrophobicContact CD2-CD1 4.11Å; Y392-F429 HydrophobicContact CD2-CG 4.14Å; Y392-F429 AromaticContact CE1-CD1 3.62Å; Y392-F429 HydrophobicContact CE1-CD1 3.62Å; Y392-F429 HydrophobicContact CE1-CD2 4.41Å; Y392-F429 AromaticContact CE1-CE1 3.67Å; Y392-F429 HydrophobicContact CE1-CE1 3.67Å; Y392-F429 HydrophobicContact CE1-CE2 4.43Å; Y392-F429 AromaticContact CE1-CG 3.99Å; Y392-F429 HydrophobicContact CE1-CG 3.99Å; Y392-F429 HydrophobicContact CE1-CZ 4.07Å; Y392-F429 HydrophobicContact CE2-CB 4.05Å; Y392-F429 AromaticContact CE2-CD1 3.54Å; Y392-F429 HydrophobicContact CE2-CD1 3.54Å; Y392-F429 HydrophobicContact CE2-CE1 4.25Å; Y392-F429 HydrophobicContact CE2-CG 4.05Å; Y392-F429 HydrophobicContact CG-CB 3.91Å; Y392-F429 HydrophobicContact CG-CD1 4.39Å; Y392-F429 HydrophobicContact CG-CG 4.15Å; Y392-F429 AromaticContact CZ-CD1 3.26Å; Y392-F429 AromaticContact CZ-CE1 3.51Å; Y392-F429 AromaticContact CZ-CG 3.98Å; Y392-F429 WeakPolarHBondContact OH-CD1 3.42Å; Y392-F429 WeakPolarHBondContact OH-CE1 3.31Å; Y392-T432 HydrophobicContact CD2-CG2 4.43Å; Y392-T432 HydrophobicContact CE2-CG2 3.72Å; Y392-N433 WeakPolarHBondContact CB-OD1 3.49Å; Y392-N433 WeakPolarHBondContact CD2-OD1 3.42Å; Y392-N433 PolarHBondContact N-OD1 3.37Å; Y392-N433 VanDerWaalsContact N-OD1 3.17Å; Y392-N433 PolarHBondContact O-ND2 2.95Å
393R80.8Confident74Confident142 Ų14268.1 Ų68.154%0.53637%0.367SS..EExtended strand (participates in β ladder)trans-77144.2175.1-73.1-176.4177-167.2-0.8111I401 E402 T404R393-I401 WeakPolarHBondContact O-CA 3.4Å; R393-E402 HydrophobicContact CB-CB 4.34Å; R393-E402 PolarHBondContact N-O 3.39Å; R393-E402 PolarHBondContact O-N 3.03Å; R393-T404 WeakPolarHBondContact CG-OG1 3.45Å
394M80.9Confident73.7Confident16 Ų1665.1 Ų65.18%0.07936%0.359CS..EExtended strand (participates in β ladder)trans-116.7119.2-177.7-60.3174.4-64.100108.7L371 V374 Q375 K378 I401L371-M394 HydrophobicContact CD1-CB 4.04Å; L371-M394 HydrophobicContact CD1-CG 3.81Å; L371-M394 HydrophobicContact CD1-SD 3.58Å; L371-M394 VanDerWaalsContact CD1-SD 3.58Å; L371-M394 HydrophobicContact CG-CB 4.29Å; V374-M394 HydrophobicContact CB-CE 4.33Å; V374-M394 HydrophobicContact CB-SD 4.04Å; V374-M394 HydrophobicContact CG1-CE 3.85Å; V374-M394 HydrophobicContact CG1-SD 3.62Å; Q375-M394 HydrophobicContact CB-CE 4.12Å; Q375-M394 VanDerWaalsContact OE1-CE 3.3Å; K378-M394 HydrophobicContact CB-CE 4.06Å; K378-M394 HydrophobicContact CD-CE 3.92Å; M394-I401 HydrophobicContact CG-CG1 4.39Å
395D81.3Confident73.7Confident51 Ų5167 Ų6727%0.27338%0.379SS..EExtended strand (participates in β ladder)trans-95.995.9171.9-176.8-18.4000107.8E397 K398 G399 K400D395-E397 VanDerWaalsContact C-N 3.34Å; D395-E397 PolarHBondContact OD1-N 2.9Å; D395-K398 PolarHBondContact O-N 2.91Å; D395-K398 PolarHBondContact OD1-N 2.64Å; D395-K398 VanDerWaalsContact OD1-N 3.14Å; D395-K398 WeakPolarHBondContact OD2-CD 3.47Å; D395-K398 WeakPolarHBondContact OD2-CG 3.45Å; D395-K398 IonicContact OD2-NZ 3.52Å; D395-K398 PolarHBondContact OD2-NZ 3.33Å; D395-G399 WeakPolarHBondContact O-CA 3.27Å; D395-G399 PolarHBondContact O-N 3.29Å; D395-K400 PolarHBondContact N-O 3.47Å; D395-K400 PolarHBondContact O-N 3.15Å
396V77.2Confident74.5Confident36 Ų3661.5 Ų61.522%0.21836%0.363CS..THydrogen-bonded Turntrans-66.9-35.5-176.3-179.40000111.5D372 Q375 K398 G399D372-V396 HydrophobicContact CB-CG1 3.68Å; Q375-V396 HydrophobicContact CB-CG2 3.62Å; Q375-V396 HydrophobicContact CG-CG2 3.75Å; V396-K398 VanDerWaalsContact C-N 3.32Å; V396-K398 PolarHBondContact O-N 3.19Å; V396-G399 PolarHBondContact O-N 2.6Å
397E70.8Confident74.7Confident186 Ų18663.1 Ų63.187%0.86938%0.377SS*.THydrogen-bonded Turntrans-65.3-37.5-178.7-62.9-176.3172.700111.5D395D395-E397 VanDerWaalsContact C-N 3.34Å; D395-E397 PolarHBondContact OD1-N 2.9Å
398K71.9Confident75.3Confident121 Ų12160.7 Ų60.753%0.52635%0.352SS..THydrogen-bonded Turntrans-93.9-11.7178.3-58.9-171.2-161.3105.60113.6D395 V396 K400D395-K398 PolarHBondContact O-N 2.91Å; D395-K398 PolarHBondContact OD1-N 2.64Å; D395-K398 VanDerWaalsContact OD1-N 3.14Å; D395-K398 WeakPolarHBondContact OD2-CD 3.47Å; D395-K398 WeakPolarHBondContact OD2-CG 3.45Å; D395-K398 IonicContact OD2-NZ 3.52Å; D395-K398 PolarHBondContact OD2-NZ 3.33Å; V396-K398 VanDerWaalsContact C-N 3.32Å; V396-K398 PolarHBondContact O-N 3.19Å; K398-K400 HydrophobicContact CB-CB 4.48Å; K398-K400 HydrophobicContact CB-CD 4.22Å; K398-K400 HydrophobicContact CB-CG 4.03Å
399G79.6Confident75.8Confident0 Ų059.4 Ų59.40%035%0.352CS..THydrogen-bonded Turntrans62.941-172.700000112.1D395 V396 I413D395-G399 WeakPolarHBondContact O-CA 3.27Å; D395-G399 PolarHBondContact O-N 3.29Å; V396-G399 PolarHBondContact O-N 2.6Å; G399-I413 WeakPolarHBondContact O-CG2 3.32Å; G399-I413 PolarHBondContact O-N 3.11Å
400K84.4Confident76.4Confident80 Ų8059.4 Ų59.435%0.34835%0.352SS..EExtended strand (participates in β ladder)trans-123.8147.6-176.6-61.9-172.8-179.2-175.80111.4D395 K398 Y411D395-K400 PolarHBondContact N-O 3.47Å; D395-K400 PolarHBondContact O-N 3.15Å; K398-K400 HydrophobicContact CB-CB 4.48Å; K398-K400 HydrophobicContact CB-CD 4.22Å; K398-K400 HydrophobicContact CB-CG 4.03Å; K400-Y411 CarbonylContact C-O 3.59Å; K400-Y411 VanDerWaalsContact CA-O 3.25Å; K400-Y411 WeakPolarHBondContact CA-O 3.45Å
401I84.4Confident76.9Confident0 Ų060.6 Ų60.60%036%0.357CS..EExtended strand (participates in β ladder)trans-112.7126.1174.5-58.7175.7000107.8L371 R393 M394 Y411 A426 F429 M430L371-I401 HydrophobicContact CD1-CD1 3.89Å; L371-I401 HydrophobicContact CD1-CG1 3.93Å; L371-I401 HydrophobicContact CD2-CG1 4.4Å; R393-I401 WeakPolarHBondContact O-CA 3.4Å; M394-I401 HydrophobicContact CG-CG1 4.39Å; I401-Y411 PolarHBondContact N-O 3.31Å; I401-Y411 PolarHBondContact O-N 3.36Å; I401-A426 WeakPolarHBondContact CD1-O 3.48Å; I401-F429 HydrophobicContact CG2-CB 3.9Å; I401-F429 HydrophobicContact CG2-CD2 4.48Å; I401-M430 HydrophobicContact CD1-CB 3.81Å
402E83.4Confident77.2Confident75 Ų7559.3 Ų59.335%0.3535%0.349SS..EExtended strand (participates in β ladder)trans-99131.6-176.8-171-176.5-177.700111.1R393 T404R393-E402 HydrophobicContact CB-CB 4.34Å; R393-E402 PolarHBondContact N-O 3.39Å; R393-E402 PolarHBondContact O-N 3.03Å; E402-T404 PolarHBondContact O-N 3.15Å
403D81.6Confident77.4Confident17 Ų1757.2 Ų57.29%0.09134%0.34CS..  trans-82.584.1171.5-175.310.6000110.8Y392 G405 G406 S407 G408 G409 Y411 F429Y392-D403 WeakPolarHBondContact CE1-OD1 3.49Å; D403-G405 VanDerWaalsContact C-N 3.27Å; D403-G405 PolarHBondContact O-N 3.02Å; D403-G406 PolarHBondContact OD1-N 3.3Å; D403-G406 WeakPolarHBondContact OD2-CA 3.41Å; D403-S407 PolarHBondContact OD2-N 2.93Å; D403-G408 WeakPolarHBondContact O-CA 3.42Å; D403-G408 PolarHBondContact O-N 2.87Å; D403-G408 VanDerWaalsContact O-N 3.16Å; D403-G409 PolarHBondContact N-O 2.91Å; D403-G409 VanDerWaalsContact N-O 3.07Å; D403-Y411 HydrophobicContact CB-CE2 4.29Å; D403-F429 HydrophobicContact CB-CE2 4.07Å; D403-F429 HydrophobicContact CB-CZ 4.32Å
404T69.2Low77.5Confident71 Ų7154 Ų5444%0.43633%0.33SS..THydrogen-bonded Turntrans-70.4-20.4-176-42.20000113.1R393 E402R393-T404 WeakPolarHBondContact CG-OG1 3.45Å; E402-T404 PolarHBondContact O-N 3.15Å
405G61.3Low77.4Confident78 Ų7853.5 Ų53.580%0.80433%0.328SS*.THydrogen-bonded Turntrans-106.6-10.3-177.600000115.5D403D403-G405 VanDerWaalsContact C-N 3.27Å; D403-G405 PolarHBondContact O-N 3.02Å
406G67.9Low77.1Confident57 Ų5755.3 Ų55.359%0.58834%0.335SS*.THydrogen-bonded Turntrans-122.1-107.1-175.300000113.5D403 G408D403-G406 PolarHBondContact OD1-N 3.3Å; D403-G406 WeakPolarHBondContact OD2-CA 3.41Å; G406-G408 VanDerWaalsContact C-N 3.3Å; G406-G408 PolarHBondContact O-N 2.8Å
407S63.1Low77Confident87 Ų8763 Ų6361%0.60837%0.366SS*.THydrogen-bonded Turntrans-78.2-6.2-169.5-175.80000114.6D403 G409D403-S407 PolarHBondContact OD2-N 2.93Å; S407-G409 PolarHBondContact O-N 2.98Å; S407-G409 VanDerWaalsContact O-N 3.1Å
408G72.2Confident77.5Confident49 Ų4955.2 Ų55.251%0.50533%0.33SS..  trans62.712-171.500000114D403 G406D403-G408 WeakPolarHBondContact O-CA 3.42Å; D403-G408 PolarHBondContact O-N 2.87Å; D403-G408 VanDerWaalsContact O-N 3.16Å; G406-G408 VanDerWaalsContact C-N 3.3Å; G406-G408 PolarHBondContact O-N 2.8Å
409G77.4Confident78.1Confident19 Ų1951.9 Ų51.920%0.19632%0.322CS..PPolyproline II helixtrans-85.3138.6-176.200000112.1D403 S407 Y411D403-G409 PolarHBondContact N-O 2.91Å; D403-G409 VanDerWaalsContact N-O 3.07Å; S407-G409 PolarHBondContact O-N 2.98Å; S407-G409 VanDerWaalsContact O-N 3.1Å; G409-Y411 WeakPolarHBondContact O-CE2 3.37Å
410S81.1Confident78.2Confident68 Ų6854.7 Ų54.748%0.47634%0.335SS..EExtended strand (participates in β ladder)trans-94.7116.1170-43.50000110.6
411Y86.2Confident78.2Confident29 Ų2956 Ų5611%0.11434%0.343CS..EExtended strand (participates in β ladder)trans-100.9131.8179.7-58.3-78.9000110.5K400 I401 D403 G409 Q422 K425 F429K400-Y411 CarbonylContact C-O 3.59Å; K400-Y411 VanDerWaalsContact CA-O 3.25Å; K400-Y411 WeakPolarHBondContact CA-O 3.45Å; I401-Y411 PolarHBondContact N-O 3.31Å; I401-Y411 PolarHBondContact O-N 3.36Å; D403-Y411 HydrophobicContact CB-CE2 4.29Å; G409-Y411 WeakPolarHBondContact O-CE2 3.37Å; Y411-Q422 HydrophobicContact CD1-CB 4.2Å; Y411-Q422 HydrophobicContact CD1-CG 4.09Å; Y411-Q422 HydrophobicContact CE1-CG 4.43Å; Y411-K425 HydrophobicContact CD1-CD 4.27Å; Y411-K425 HydrophobicContact CD2-CD 4.46Å; Y411-K425 HydrophobicContact CE1-CD 3.81Å; Y411-K425 HydrophobicContact CE2-CD 4Å; Y411-K425 HydrophobicContact CE2-CG 4.49Å; Y411-K425 PolarHBondContact OH-NZ 2.54Å; Y411-F429 HydrophobicContact CD2-CD2 4.07Å; Y411-F429 AromaticContact CD2-CE2 3.59Å; Y411-F429 HydrophobicContact CD2-CE2 3.59Å; Y411-F429 AromaticContact CE2-CE2 3.64Å; Y411-F429 HydrophobicContact CE2-CE2 3.64Å; Y411-F429 HydrophobicContact CE2-CZ 4.47Å
412S85.1Confident78.3Confident19 Ų1960.4 Ų60.413%0.13336%0.363CS..EExtended strand (participates in β ladder)trans-79.2137-179.4-176.60000111.4K414 N418 A426S412-K414 VanDerWaalsContact C-N 3.32Å; S412-K414 PolarHBondContact OG-N 3Å; S412-N418 PolarHBondContact O-ND2 2.94Å; S412-A426 WeakPolarHBondContact O-CB 3.36Å
413I84.7Confident78.5Confident0 Ų057 Ų570%035%0.347CS..  trans-81.1-18.5170-155.8169.6000111.6W305 M367 V368 G399 W423 L427 M430W305-I413 HydrophobicContact CH2-CD1 4.31Å; M367-I413 HydrophobicContact CB-CD1 4.22Å; M367-I413 HydrophobicContact CB-CG1 4.17Å; M367-I413 HydrophobicContact CB-CG2 4.2Å; M367-I413 WeakPolarHBondContact CE-O 3.43Å; M367-I413 HydrophobicContact SD-CG1 4.32Å; V368-I413 HydrophobicContact CG2-CG2 4.21Å; G399-I413 WeakPolarHBondContact O-CG2 3.32Å; G399-I413 PolarHBondContact O-N 3.11Å; I413-W423 PolarHBondContact O-NE1 3.17Å; I413-W423 VanDerWaalsContact O-NE1 3.11Å; I413-L427 HydrophobicContact CD1-CD2 4.35Å; I413-L427 HydrophobicContact CG1-CD2 4.08Å; I413-M430 HydrophobicContact CD1-SD 3.93Å
414K84.3Confident78.8Confident74 Ų7456.2 Ų56.232%0.32234%0.343SS..  trans-69.8142.7179.3-62.2-179.9-177.4174.70110.3D364 V368 S412 N418D364-K414 HydrophobicContact CB-CB 4.37Å; D364-K414 HydrophobicContact CB-CG 4.22Å; V368-K414 HydrophobicContact CG2-CD 4.48Å; V368-K414 HydrophobicContact CG2-CG 4.1Å; S412-K414 VanDerWaalsContact C-N 3.32Å; S412-K414 PolarHBondContact OG-N 3Å; K414-N418 WeakPolarHBondContact O-CB 3.46Å; K414-N418 PolarHBondContact O-ND2 3.32Å
415T77.9Confident79.7Confident6 Ų656.4 Ų56.44%0.03734%0.338CS..SBendtrans-74.2-45.9171.650.90000110.5R356 F363 D364 M367 F417 N418 W423R356-T415 PolarHBondContact NE-O 3.08Å; R356-T415 VanDerWaalsContact NH1-C 3.28Å; R356-T415 PolarHBondContact NH1-O 3.11Å; R356-T415 VanDerWaalsContact NH2-CG2 3.25Å; F363-T415 HydrophobicContact CD1-CG2 4.17Å; F363-T415 HydrophobicContact CE1-CG2 3.97Å; D364-T415 VanDerWaalsContact CG-OG1 3.23Å; D364-T415 WeakPolarHBondContact OD1-CB 3.42Å; D364-T415 PolarHBondContact OD1-N 3.48Å; D364-T415 PolarHBondContact OD1-OG1 2.94Å; D364-T415 PolarHBondContact OD2-N 3.4Å; D364-T415 PolarHBondContact OD2-OG1 2.93Å; M367-T415 HydrophobicContact CE-CG2 4.06Å; T415-F417 PolarHBondContact O-N 3.46Å; T415-N418 WeakPolarHBondContact O-CB 3.02Å; T415-N418 PolarHBondContact O-N 2.75Å; T415-W423 HydrophobicContact CG2-CD2 4.34Å; T415-W423 HydrophobicContact CG2-CZ2 4.08Å
416Q75.4Confident80.9Confident90 Ų9052.7 Ų52.742%0.42130%0.3SS..THydrogen-bonded Turntrans-59.4135.8-177.2-154.6-177.717.500112.8N361 D364 N418N361-Q416 PolarHBondContact OD1-OE1 3.36Å; D364-Q416 VanDerWaalsContact OD2-CB 3.31Å; D364-Q416 WeakPolarHBondContact OD2-CB 3.31Å; D364-Q416 PolarHBondContact OD2-N 3.33Å; Q416-N418 PolarHBondContact O-N 3.48Å
417F75.1Confident81.9Confident197 Ų19750 Ų5086%0.86427%0.272SS*.THydrogen-bonded Turntrans56.626.5-178.1-53.9-70.4000115.8T415T415-F417 PolarHBondContact O-N 3.46Å
418N81.2Confident83.1Confident22 Ų2248.4 Ų48.412%0.11825%0.254CS..  trans-127148.5-176.2-163.510000112.1S412 K414 T415 Q416 Q422S412-N418 PolarHBondContact O-ND2 2.94Å; K414-N418 WeakPolarHBondContact O-CB 3.46Å; K414-N418 PolarHBondContact O-ND2 3.32Å; T415-N418 WeakPolarHBondContact O-CB 3.02Å; T415-N418 PolarHBondContact O-N 2.75Å; Q416-N418 PolarHBondContact O-N 3.48Å; N418-Q422 VanDerWaalsContact OD1-CB 3.27Å; N418-Q422 WeakPolarHBondContact OD1-CB 3.46Å; N418-Q422 PolarHBondContact OD1-OE1 2.71Å
419S83.9Confident83.9Confident51 Ų5146.7 Ų46.736%0.35723%0.233SC..  trans-79.4149.3172.371.60000111E421 Q422 W423S419-E421 PolarHBondContact O-N 2.94Å; S419-Q422 PolarHBondContact O-N 3.16Å; S419-Q422 WeakPolarHBondContact OG-CB 3.17Å; S419-Q422 VanDerWaalsContact OG-CG 3.29Å; S419-Q422 WeakPolarHBondContact OG-CG 3.41Å; S419-Q422 PolarHBondContact OG-N 3.23Å; S419-W423 WeakPolarHBondContact O-CB 3.44Å; S419-W423 PolarHBondContact O-N 3.49Å
420E82.3Confident84.4Confident59 Ų5945.8 Ų45.828%0.27622%0.223SC..Hα-helixtrans-61.9-31.2-179.9-59.8-169.8155.700112.2R290 T424R290-E420 IonicContact NE-OE1 3.57Å; R290-E420 CarbonylContact O-C 3.51Å; R290-E420 WeakPolarHBondContact O-CB 3.46Å; R290-E420 VanDerWaalsContact O-O 3.1Å; E420-T424 WeakPolarHBondContact O-CB 3.5Å; E420-T424 PolarHBondContact O-N 3.03Å; E420-T424 PolarHBondContact O-OG1 2.63Å
421E85.4Confident84.8Confident107 Ų10742.6 Ų42.650%0.520%0.201SC..Hα-helixtrans-68-46.5176.5-63.1178.6179.600112.5L291 S419 W423 T424 K425L291-E421 HydrophobicContact CG-CG 4.4Å; S419-E421 PolarHBondContact O-N 2.94Å; E421-W423 VanDerWaalsContact C-N 3.33Å; E421-T424 PolarHBondContact O-N 3.25Å; E421-K425 WeakPolarHBondContact O-CB 3.43Å; E421-K425 PolarHBondContact O-N 2.92Å
422Q85.7Confident84.8Confident94 Ų9443 Ų4344%0.43921%0.206SC..Hα-helixtrans-66.5-38.4177.6-73.9179.21.800111.2Y411 N418 S419 K425 A426Y411-Q422 HydrophobicContact CD1-CB 4.2Å; Y411-Q422 HydrophobicContact CD1-CG 4.09Å; Y411-Q422 HydrophobicContact CE1-CG 4.43Å; N418-Q422 VanDerWaalsContact OD1-CB 3.27Å; N418-Q422 WeakPolarHBondContact OD1-CB 3.46Å; N418-Q422 PolarHBondContact OD1-OE1 2.71Å; S419-Q422 PolarHBondContact O-N 3.16Å; S419-Q422 WeakPolarHBondContact OG-CB 3.17Å; S419-Q422 VanDerWaalsContact OG-CG 3.29Å; S419-Q422 WeakPolarHBondContact OG-CG 3.41Å; S419-Q422 PolarHBondContact OG-N 3.23Å; Q422-K425 PolarHBondContact O-N 2.89Å; Q422-A426 PolarHBondContact O-N 3.44Å
423W87.4Confident85Confident2 Ų242 Ų421%0.00820%0.2CC..Hα-helixtrans-61.8-48.9173.6-177.863.6000111.8R290 W298 I301 F363 M367 I413 T415 S419 E421 K425 A426 L427R290-W423 HydrophobicContact CB-CZ3 4.06Å; W298-W423 HydrophobicContact CH2-CH2 4.04Å; W298-W423 HydrophobicContact CH2-CZ3 4.45Å; W298-W423 HydrophobicContact CZ3-CH2 4.15Å; I301-W423 HydrophobicContact CD1-CH2 4.38Å; I301-W423 HydrophobicContact CD1-CZ3 4.47Å; I301-W423 HydrophobicContact CG2-CH2 4.17Å; F363-W423 HydrophobicContact CE1-CZ2 4.13Å; F363-W423 HydrophobicContact CZ-CZ2 4.39Å; M367-W423 HydrophobicContact SD-CZ2 4.37Å; I413-W423 PolarHBondContact O-NE1 3.17Å; I413-W423 VanDerWaalsContact O-NE1 3.11Å; T415-W423 HydrophobicContact CG2-CD2 4.34Å; T415-W423 HydrophobicContact CG2-CZ2 4.08Å; S419-W423 WeakPolarHBondContact O-CB 3.44Å; S419-W423 PolarHBondContact O-N 3.49Å; E421-W423 VanDerWaalsContact C-N 3.33Å; W423-K425 VanDerWaalsContact C-N 3.28Å; W423-K425 PolarHBondContact O-N 2.95Å; W423-A426 WeakPolarHBondContact O-CB 3.48Å; W423-A426 PolarHBondContact O-N 2.87Å; W423-L427 HydrophobicContact CD2-CD1 3.69Å; W423-L427 VanDerWaalsContact CE2-CD1 3.42Å; W423-L427 HydrophobicContact CE3-CD1 4.03Å; W423-L427 HydrophobicContact CG-CD1 4.29Å; W423-L427 HydrophobicContact CH2-CD1 3.91Å; W423-L427 HydrophobicContact CZ2-CD1 3.56Å; W423-L427 HydrophobicContact CZ3-CD1 4.13Å; W423-L427 WeakPolarHBondContact O-CG 2.81Å; W423-L427 PolarHBondContact O-N 3.06Å
424T87.8Confident85.1Confident2 Ų242.1 Ų42.11%0.01220%0.2CC..Hα-helixtrans-60.6-38176.5-620000112F280 G289 R290 L291 E420 E421 L427 K428F280-T424 HydrophobicContact CD1-CG2 3.49Å; F280-T424 VanDerWaalsContact CD1-CG2 3.49Å; F280-T424 HydrophobicContact CE1-CG2 3.93Å; F280-T424 HydrophobicContact CG-CG2 4.25Å; G289-T424 WeakPolarHBondContact CA-OG1 3.43Å; R290-T424 PolarHBondContact N-OG1 3.18Å; R290-T424 PolarHBondContact O-OG1 2.68Å; L291-T424 HydrophobicContact CD1-CG2 3.72Å; E420-T424 WeakPolarHBondContact O-CB 3.5Å; E420-T424 PolarHBondContact O-N 3.03Å; E420-T424 PolarHBondContact O-OG1 2.63Å; E421-T424 PolarHBondContact O-N 3.25Å; T424-L427 PolarHBondContact O-N 2.98Å; T424-K428 WeakPolarHBondContact O-CB 3.44Å; T424-K428 PolarHBondContact O-N 2.66Å
425K87.5Confident85.2Confident74 Ų7442 Ų4232%0.32220%0.2SC..Hα-helixtrans-66.4-42.2176.2-166.7169.5-179.8-178.10112.2Y411 E421 Q422 W423 L427 K428 F429Y411-K425 HydrophobicContact CD1-CD 4.27Å; Y411-K425 HydrophobicContact CD2-CD 4.46Å; Y411-K425 HydrophobicContact CE1-CD 3.81Å; Y411-K425 HydrophobicContact CE2-CD 4Å; Y411-K425 HydrophobicContact CE2-CG 4.49Å; Y411-K425 PolarHBondContact OH-NZ 2.54Å; E421-K425 WeakPolarHBondContact O-CB 3.43Å; E421-K425 PolarHBondContact O-N 2.92Å; Q422-K425 PolarHBondContact O-N 2.89Å; W423-K425 VanDerWaalsContact C-N 3.28Å; W423-K425 PolarHBondContact O-N 2.95Å; K425-L427 VanDerWaalsContact C-N 3.35Å; K425-L427 PolarHBondContact O-N 3.22Å; K425-K428 PolarHBondContact O-N 3.3Å; K425-F429 HydrophobicContact CD-CE2 4.24Å; K425-F429 HydrophobicContact CD-CZ 4.24Å; K425-F429 HydrophobicContact CG-CD2 4.29Å; K425-F429 HydrophobicContact CG-CE1 4.47Å; K425-F429 HydrophobicContact CG-CE2 3.72Å; K425-F429 HydrophobicContact CG-CZ 3.84Å; K425-F429 WeakPolarHBondContact O-CD2 3.34Å; K425-F429 WeakPolarHBondContact O-CG 3.49Å; K425-F429 PolarHBondContact O-N 3.39Å
426A87.6Confident85.6Confident0 Ų047.9 Ų47.90%022%0.221CC..Hα-helixtrans-59.6-45173.900000111.6I401 S412 Q422 W423 K428 F429 M430I401-A426 WeakPolarHBondContact CD1-O 3.48Å; S412-A426 WeakPolarHBondContact O-CB 3.36Å; Q422-A426 PolarHBondContact O-N 3.44Å; W423-A426 WeakPolarHBondContact O-CB 3.48Å; W423-A426 PolarHBondContact O-N 2.87Å; A426-K428 PolarHBondContact O-N 3.02Å; A426-F429 PolarHBondContact O-N 2.91Å; A426-M430 PolarHBondContact O-N 2.93Å
427L87.9Confident86Confident0 Ų043.6 Ų43.60%020%0.201CC..Hα-helixtrans-65.4-38.1178.4-65.7172.5000112.8L288 W305 I413 W423 T424 K425 F429 M430 L431L288-L427 HydrophobicContact CD2-CB 4.04Å; L288-L427 HydrophobicContact CD2-CD2 4.24Å; L288-L427 HydrophobicContact CG-CB 4.14Å; L288-L427 HydrophobicContact CG-CD1 4.16Å; W305-L427 HydrophobicContact CH2-CD2 3.62Å; W305-L427 HydrophobicContact CZ2-CD2 3.28Å; I413-L427 HydrophobicContact CD1-CD2 4.35Å; I413-L427 HydrophobicContact CG1-CD2 4.08Å; W423-L427 HydrophobicContact CD2-CD1 3.69Å; W423-L427 VanDerWaalsContact CE2-CD1 3.42Å; W423-L427 HydrophobicContact CE3-CD1 4.03Å; W423-L427 HydrophobicContact CG-CD1 4.29Å; W423-L427 HydrophobicContact CH2-CD1 3.91Å; W423-L427 HydrophobicContact CZ2-CD1 3.56Å; W423-L427 HydrophobicContact CZ3-CD1 4.13Å; W423-L427 WeakPolarHBondContact O-CG 2.81Å; W423-L427 PolarHBondContact O-N 3.06Å; T424-L427 PolarHBondContact O-N 2.98Å; K425-L427 VanDerWaalsContact C-N 3.35Å; K425-L427 PolarHBondContact O-N 3.22Å; L427-F429 VanDerWaalsContact C-N 3.35Å; L427-M430 HydrophobicContact CD2-CE 4.14Å; L427-M430 PolarHBondContact O-N 2.97Å; L427-L431 PolarHBondContact O-N 2.87Å
428K89Confident86.4Confident54 Ų5434.3 Ų34.324%0.23516%0.161CC..Hα-helixtrans-61.6-42.4173-178.2173.6177.2176.70111.8G278 Q279 T424 K425 A426 L431 T432G278-K428 PolarHBondContact O-NZ 2.94Å; Q279-K428 WeakPolarHBondContact O-CD 3.31Å; T424-K428 WeakPolarHBondContact O-CB 3.44Å; T424-K428 PolarHBondContact O-N 2.66Å; K425-K428 PolarHBondContact O-N 3.3Å; A426-K428 PolarHBondContact O-N 3.02Å; K428-L431 PolarHBondContact O-N 3.28Å; K428-T432 WeakPolarHBondContact O-CB 3.33Å; K428-T432 PolarHBondContact O-N 2.76Å; K428-T432 PolarHBondContact O-OG1 3.39Å
429F88.3Confident86.5Confident14 Ų1435.6 Ų35.66%0.06117%0.174CC..Hα-helixtrans-67.5-39.8176.3-65.4-27.6000112.5Y392 I401 D403 Y411 K425 A426 L427 T432 N433Y392-F429 HydrophobicContact CD1-CB 4.33Å; Y392-F429 HydrophobicContact CD1-CD1 4.17Å; Y392-F429 HydrophobicContact CD1-CD2 4.38Å; Y392-F429 HydrophobicContact CD1-CG 4.08Å; Y392-F429 HydrophobicContact CD2-CB 3.75Å; Y392-F429 HydrophobicContact CD2-CD1 4.11Å; Y392-F429 HydrophobicContact CD2-CG 4.14Å; Y392-F429 AromaticContact CE1-CD1 3.62Å; Y392-F429 HydrophobicContact CE1-CD1 3.62Å; Y392-F429 HydrophobicContact CE1-CD2 4.41Å; Y392-F429 AromaticContact CE1-CE1 3.67Å; Y392-F429 HydrophobicContact CE1-CE1 3.67Å; Y392-F429 HydrophobicContact CE1-CE2 4.43Å; Y392-F429 AromaticContact CE1-CG 3.99Å; Y392-F429 HydrophobicContact CE1-CG 3.99Å; Y392-F429 HydrophobicContact CE1-CZ 4.07Å; Y392-F429 HydrophobicContact CE2-CB 4.05Å; Y392-F429 AromaticContact CE2-CD1 3.54Å; Y392-F429 HydrophobicContact CE2-CD1 3.54Å; Y392-F429 HydrophobicContact CE2-CE1 4.25Å; Y392-F429 HydrophobicContact CE2-CG 4.05Å; Y392-F429 HydrophobicContact CG-CB 3.91Å; Y392-F429 HydrophobicContact CG-CD1 4.39Å; Y392-F429 HydrophobicContact CG-CG 4.15Å; Y392-F429 AromaticContact CZ-CD1 3.26Å; Y392-F429 AromaticContact CZ-CE1 3.51Å; Y392-F429 AromaticContact CZ-CG 3.98Å; Y392-F429 WeakPolarHBondContact OH-CD1 3.42Å; Y392-F429 WeakPolarHBondContact OH-CE1 3.31Å; I401-F429 HydrophobicContact CG2-CB 3.9Å; I401-F429 HydrophobicContact CG2-CD2 4.48Å; D403-F429 HydrophobicContact CB-CE2 4.07Å; D403-F429 HydrophobicContact CB-CZ 4.32Å; Y411-F429 HydrophobicContact CD2-CD2 4.07Å; Y411-F429 AromaticContact CD2-CE2 3.59Å; Y411-F429 HydrophobicContact CD2-CE2 3.59Å; Y411-F429 AromaticContact CE2-CE2 3.64Å; Y411-F429 HydrophobicContact CE2-CE2 3.64Å; Y411-F429 HydrophobicContact CE2-CZ 4.47Å; K425-F429 HydrophobicContact CD-CE2 4.24Å; K425-F429 HydrophobicContact CD-CZ 4.24Å; K425-F429 HydrophobicContact CG-CD2 4.29Å; K425-F429 HydrophobicContact CG-CE1 4.47Å; K425-F429 HydrophobicContact CG-CE2 3.72Å; K425-F429 HydrophobicContact CG-CZ 3.84Å; K425-F429 WeakPolarHBondContact O-CD2 3.34Å; K425-F429 WeakPolarHBondContact O-CG 3.49Å; K425-F429 PolarHBondContact O-N 3.39Å; A426-F429 PolarHBondContact O-N 2.91Å; L427-F429 VanDerWaalsContact C-N 3.35Å; F429-T432 WeakPolarHBondContact O-CB 3.43Å; F429-T432 PolarHBondContact O-N 2.87Å; F429-N433 PolarHBondContact O-N 3.33Å
430M88.1Confident86.4Confident0 Ų034.6 Ų34.60%016%0.163CC..Hα-helixtrans-58.8-48.6172.7-174.5-166.669.800111.9L288 W305 T308 F370 I401 I413 A426 L427 T432 N433 L434L288-M430 HydrophobicContact CD2-CE 3.76Å; W305-M430 HydrophobicContact CH2-CE 3.68Å; W305-M430 HydrophobicContact CH2-SD 3.88Å; W305-M430 HydrophobicContact CZ3-CE 3.64Å; W305-M430 HydrophobicContact CZ3-SD 3.99Å; T308-M430 HydrophobicContact CG2-CE 3.95Å; F370-M430 HydrophobicContact CD1-SD 3.71Å; F370-M430 HydrophobicContact CE1-CE 4.18Å; F370-M430 HydrophobicContact CE1-CG 4.45Å; F370-M430 HydrophobicContact CE1-SD 3.58Å; F370-M430 VanDerWaalsContact CE1-SD 3.58Å; I401-M430 HydrophobicContact CD1-CB 3.81Å; I413-M430 HydrophobicContact CD1-SD 3.93Å; A426-M430 PolarHBondContact O-N 2.93Å; L427-M430 HydrophobicContact CD2-CE 4.14Å; L427-M430 PolarHBondContact O-N 2.97Å; M430-T432 VanDerWaalsContact C-N 3.26Å; M430-T432 PolarHBondContact O-N 3.43Å; M430-N433 WeakPolarHBondContact O-CB 3.43Å; M430-N433 PolarHBondContact O-N 3.26Å; M430-L434 PolarHBondContact O-N 3.3Å
431L88.9Confident86.4Confident1 Ų131.8 Ų31.81%0.00515%0.15CC..Hα-helixtrans-62.6-34.9176-77.1177.7000112.2I274 I283 L288 T308 L427 K428 L434 K435I274-L431 HydrophobicContact CG2-CB 4.05Å; I283-L431 HydrophobicContact CB-CD2 4.48Å; L288-L431 HydrophobicContact CB-CD1 3.8Å; L288-L431 HydrophobicContact CD2-CD1 3.64Å; L288-L431 HydrophobicContact CD2-CD2 4.14Å; L288-L431 HydrophobicContact CD2-CG 3.76Å; L288-L431 HydrophobicContact CG-CD1 4.36Å; T308-L431 HydrophobicContact CG2-CD2 4.14Å; L427-L431 PolarHBondContact O-N 2.87Å; K428-L431 PolarHBondContact O-N 3.28Å; L431-L434 PolarHBondContact O-N 2.75Å; L431-K435 WeakPolarHBondContact O-CB 3.43Å; L431-K435 PolarHBondContact O-N 3.35Å
432T88.3Confident85.9Confident36 Ų3627.8 Ų27.822%0.22113%0.132CC..Hα-helixtrans-65.7-45.7175.3-54.70000110.5Y392 K428 F429 M430 L434 K435 W436Y392-T432 HydrophobicContact CD2-CG2 4.43Å; Y392-T432 HydrophobicContact CE2-CG2 3.72Å; K428-T432 WeakPolarHBondContact O-CB 3.33Å; K428-T432 PolarHBondContact O-N 2.76Å; K428-T432 PolarHBondContact O-OG1 3.39Å; F429-T432 WeakPolarHBondContact O-CB 3.43Å; F429-T432 PolarHBondContact O-N 2.87Å; M430-T432 VanDerWaalsContact C-N 3.26Å; M430-T432 PolarHBondContact O-N 3.43Å; T432-L434 VanDerWaalsContact C-N 3.31Å; T432-L434 PolarHBondContact O-N 2.85Å; T432-K435 WeakPolarHBondContact O-CB 3.34Å; T432-K435 PolarHBondContact O-N 3.18Å; T432-K435 VanDerWaalsContact O-N 3.08Å; T432-W436 VanDerWaalsContact O-CD1 3.23Å; T432-W436 PolarHBondContact O-N 3.19Å
433N87.5Confident85.5Confident0 Ų026 Ų260%013%0.131CC..Hα-helixtrans-57.1-44.2173.5-85.3-1.9000112.1L390 P391 Y392 F429 M430 K435 W436 G437L390-N433 HydrophobicContact CD1-CB 4.23Å; L390-N433 WeakPolarHBondContact CD2-O 3.35Å; P391-N433 WeakPolarHBondContact CD-OD1 3.21Å; Y392-N433 WeakPolarHBondContact CB-OD1 3.49Å; Y392-N433 WeakPolarHBondContact CD2-OD1 3.42Å; Y392-N433 PolarHBondContact N-OD1 3.37Å; Y392-N433 VanDerWaalsContact N-OD1 3.17Å; Y392-N433 PolarHBondContact O-ND2 2.95Å; F429-N433 PolarHBondContact O-N 3.33Å; M430-N433 WeakPolarHBondContact O-CB 3.43Å; M430-N433 PolarHBondContact O-N 3.26Å; N433-K435 VanDerWaalsContact C-N 3.31Å; N433-K435 PolarHBondContact O-N 2.98Å; N433-W436 PolarHBondContact O-N 2.84Å; N433-G437 PolarHBondContact O-N 3.32Å
434L86.7Confident84.8Confident1 Ų129.3 Ų29.31%0.00515%0.146CC..Hα-helixtrans-64.6-34.7175.6-70.8173.4000112.6I274 T308 L311 L312 F370 V374 M430 L431 T432 G437 L438I274-L434 HydrophobicContact CD1-CB 4.24Å; T308-L434 HydrophobicContact CG2-CD1 3.44Å; T308-L434 VanDerWaalsContact CG2-CD1 3.44Å; L311-L434 HydrophobicContact CD2-CB 4.26Å; L312-L434 HydrophobicContact CD1-CD2 4.04Å; F370-L434 HydrophobicContact CE1-CD1 4.38Å; F370-L434 HydrophobicContact CZ-CD1 4.33Å; V374-L434 HydrophobicContact CG1-CD2 4.21Å; V374-L434 HydrophobicContact CG2-CD2 4.24Å; M430-L434 PolarHBondContact O-N 3.3Å; L431-L434 PolarHBondContact O-N 2.75Å; T432-L434 VanDerWaalsContact C-N 3.31Å; T432-L434 PolarHBondContact O-N 2.85Å; L434-G437 PolarHBondContact O-N 3.04Å; L434-L438 WeakPolarHBondContact O-CB 3.49Å; L434-L438 PolarHBondContact O-N 3.01Å
435K87.8Confident83.8Confident73 Ų7333 Ų3332%0.31716%0.162SC..Hα-helixtrans-65.4-42.4173.6-179.4173.7-176.2152.60112.2I274 W275 L431 T432 N433 L438 A439I274-K435 HydrophobicContact CB-CB 4.21Å; I274-K435 HydrophobicContact CB-CD 4.3Å; I274-K435 HydrophobicContact CB-CG 4.47Å; I274-K435 HydrophobicContact CD1-CB 4.12Å; I274-K435 HydrophobicContact CG2-CB 4.1Å; I274-K435 HydrophobicContact CG2-CD 4.26Å; I274-K435 PolarHBondContact O-NZ 2.99Å; W275-K435 VanDerWaalsContact CE3-NZ 3.26Å; W275-K435 VanDerWaalsContact CZ3-NZ 3.33Å; L431-K435 WeakPolarHBondContact O-CB 3.43Å; L431-K435 PolarHBondContact O-N 3.35Å; T432-K435 WeakPolarHBondContact O-CB 3.34Å; T432-K435 PolarHBondContact O-N 3.18Å; T432-K435 VanDerWaalsContact O-N 3.08Å; N433-K435 VanDerWaalsContact C-N 3.31Å; N433-K435 PolarHBondContact O-N 2.98Å; K435-L438 WeakPolarHBondContact O-CB 3.47Å; K435-L438 PolarHBondContact O-N 3.5Å; K435-A439 PolarHBondContact O-N 2.82Å
436W86.1Confident82.4Confident128 Ų12836 Ų3649%0.48517%0.173SC..Hα-helixtrans-66-42.3174.6-82.179.3000111.1F388 L390 P391 T432 N433 L438 A439 W440F388-W436 AromaticContact CE2-CE3 3.68Å; F388-W436 HydrophobicContact CE2-CE3 3.68Å; F388-W436 HydrophobicContact CE2-CZ3 4.2Å; F388-W436 HydrophobicContact CZ-CB 4.15Å; F388-W436 AromaticContact CZ-CE3 3.98Å; F388-W436 HydrophobicContact CZ-CE3 3.98Å; F388-W436 WeakPolarHBondContact CZ-O 3.36Å; L390-W436 HydrophobicContact CD2-CB 3.88Å; P391-W436 HydrophobicContact CG-CD2 4.27Å; P391-W436 HydrophobicContact CG-CG 4.05Å; T432-W436 VanDerWaalsContact O-CD1 3.23Å; T432-W436 PolarHBondContact O-N 3.19Å; N433-W436 PolarHBondContact O-N 2.84Å; W436-L438 PolarHBondContact O-N 3.18Å; W436-A439 WeakPolarHBondContact O-CB 3.25Å; W436-A439 PolarHBondContact O-N 2.82Å; W436-W440 PolarHBondContact O-N 3.42Å
437G82.8Confident80.5Confident0 Ų042.6 Ų42.60%021%0.208CC..Hα-helixtrans-58.7-44.5172.400000112.6N433 L434 W440 V441N433-G437 PolarHBondContact O-N 3.32Å; L434-G437 PolarHBondContact O-N 3.04Å; G437-W440 PolarHBondContact O-N 2.93Å; G437-V441 WeakPolarHBondContact O-CG2 3.48Å; G437-V441 PolarHBondContact O-N 2.83Å
438L84.8Confident78.4Confident3 Ų355.5 Ų55.52%0.01626%0.256CS..Hα-helixtrans-58.6-48.2173.9-170.767.7000111.2F268 L311 L315 L434 K435 W436 W440 V441 T442F268-L438 HydrophobicContact CB-CD1 3.66Å; F268-L438 HydrophobicContact CB-CG 4.31Å; F268-L438 HydrophobicContact CD1-CD1 3.97Å; F268-L438 HydrophobicContact CG-CD1 4.03Å; L311-L438 HydrophobicContact CD1-CD1 3.79Å; L315-L438 HydrophobicContact CD1-CD1 4.41Å; L315-L438 HydrophobicContact CD2-CD1 3.67Å; L315-L438 HydrophobicContact CG-CD1 4.34Å; L434-L438 WeakPolarHBondContact O-CB 3.49Å; L434-L438 PolarHBondContact O-N 3.01Å; K435-L438 WeakPolarHBondContact O-CB 3.47Å; K435-L438 PolarHBondContact O-N 3.5Å; W436-L438 PolarHBondContact O-N 3.18Å; L438-W440 VanDerWaalsContact C-N 3.31Å; L438-W440 PolarHBondContact O-N 3.34Å; L438-V441 PolarHBondContact O-N 3.31Å; L438-T442 WeakPolarHBondContact O-CB 3.44Å; L438-T442 WeakPolarHBondContact O-CG2 3.37Å; L438-T442 PolarHBondContact O-N 2.87Å; L438-T442 PolarHBondContact O-OG1 2.99Å
439A82.8Confident77.9Confident49 Ų4955.6 Ų55.641%0.40526%0.257SS..Hα-helixtrans-58.4-43.2178.400000111.6K435 W436 T442 S443K435-A439 PolarHBondContact O-N 2.82Å; W436-A439 WeakPolarHBondContact O-CB 3.25Å; W436-A439 PolarHBondContact O-N 2.82Å; A439-T442 WeakPolarHBondContact CA-OG1 3.48Å; A439-T442 PolarHBondContact O-N 3.07Å; A439-T442 PolarHBondContact O-OG1 3.38Å; A439-S443 PolarHBondContact O-N 3.2Å; A439-S443 PolarHBondContact O-OG 3.28Å
440W82.6Confident77.3Confident29 Ų2957.8 Ų57.811%0.1127%0.268CS..Hα-helixtrans-66.1-45.7176.2-172.996.8000112.9M319 V381 T386 F388 W436 G437 L438 T442 S443 Q444M319-W440 HydrophobicContact CE-CE3 3.64Å; M319-W440 HydrophobicContact CE-CH2 4.4Å; M319-W440 HydrophobicContact CE-CZ3 3.3Å; V381-W440 HydrophobicContact CG1-CD2 3.66Å; V381-W440 HydrophobicContact CG1-CE3 3.96Å; V381-W440 HydrophobicContact CG1-CG 4.01Å; V381-W440 HydrophobicContact CG1-CH2 4.4Å; V381-W440 HydrophobicContact CG1-CZ2 4.12Å; V381-W440 HydrophobicContact CG1-CZ3 4.35Å; V381-W440 HydrophobicContact CG2-CE3 4.17Å; V381-W440 HydrophobicContact CG2-CZ3 4.27Å; V381-W440 VanDerWaalsContact O-CZ2 3.31Å; V381-W440 WeakPolarHBondContact O-CZ2 3.5Å; T386-W440 PolarHBondContact OG1-NE1 3.15Å; F388-W440 HydrophobicContact CD1-CB 4.24Å; F388-W440 AromaticContact CD1-CD1 3.34Å; F388-W440 AromaticContact CD1-CG 3.88Å; F388-W440 HydrophobicContact CD1-CG 3.88Å; F388-W440 AromaticContact CD1-NE1 3.85Å; F388-W440 AromaticContact CD2-CD1 3.75Å; F388-W440 HydrophobicContact CE1-CB 3.7Å; F388-W440 AromaticContact CE1-CD1 3.72Å; F388-W440 AromaticContact CE1-CG 3.85Å; F388-W440 HydrophobicContact CE1-CG 3.85Å; F388-W440 HydrophobicContact CE2-CB 4.2Å; F388-W440 AromaticContact CG-CD1 3.34Å; F388-W440 HydrophobicContact CG-CG 4.26Å; F388-W440 AromaticContact CG-NE1 3.87Å; F388-W440 HydrophobicContact CZ-CB 3.68Å; F388-W440 HydrophobicContact CZ-CG 4.19Å; W436-W440 PolarHBondContact O-N 3.42Å; G437-W440 PolarHBondContact O-N 2.93Å; L438-W440 VanDerWaalsContact C-N 3.31Å; L438-W440 PolarHBondContact O-N 3.34Å; W440-T442 PolarHBondContact O-N 2.93Å; W440-S443 WeakPolarHBondContact CA-OG 3.49Å; W440-S443 PolarHBondContact O-N 3.14Å; W440-S443 VanDerWaalsContact O-N 3.14Å; W440-S443 PolarHBondContact O-OG 3.23Å; W440-Q444 HydrophobicContact CD2-CG 3.65Å; W440-Q444 HydrophobicContact CE3-CB 4.45Å; W440-Q444 HydrophobicContact CE3-CG 3.83Å; W440-Q444 HydrophobicContact CG-CG 4.34Å; W440-Q444 HydrophobicContact CH2-CG 3.85Å; W440-Q444 HydrophobicContact CZ2-CG 3.67Å; W440-Q444 HydrophobicContact CZ3-CB 4.38Å; W440-Q444 HydrophobicContact CZ3-CG 3.89Å; W440-Q444 WeakPolarHBondContact O-CB 3.46Å; W440-Q444 WeakPolarHBondContact O-CG 3.45Å; W440-Q444 PolarHBondContact O-N 2.75Å
441V80.9Confident76.7Confident0 Ų061 Ų610%028%0.283CS..Hα-helixtrans-62.9-27.7175.3-179.80000110.9L315 K318 M319 F377 G437 L438 F445L315-V441 HydrophobicContact CD2-CB 3.83Å; L315-V441 HydrophobicContact CD2-CG1 3.82Å; L315-V441 HydrophobicContact CD2-CG2 3.66Å; K318-V441 HydrophobicContact CD-CG1 3.68Å; K318-V441 HydrophobicContact CG-CG1 4.3Å; K318-V441 PolarHBondContact NZ-O 2.67Å; M319-V441 HydrophobicContact CE-CB 4.4Å; M319-V441 HydrophobicContact CE-CG2 3.2Å; F377-V441 HydrophobicContact CE2-CG2 4.34Å; F377-V441 HydrophobicContact CZ-CG2 3.88Å; G437-V441 WeakPolarHBondContact O-CG2 3.48Å; G437-V441 PolarHBondContact O-N 2.83Å; L438-V441 PolarHBondContact O-N 3.31Å; V441-F445 HydrophobicContact CG1-CD2 3.91Å; V441-F445 HydrophobicContact CG1-CE2 3.97Å; V441-F445 WeakPolarHBondContact O-CB 3.34Å; V441-F445 WeakPolarHBondContact O-CD2 3.44Å
442T76.3Confident76Confident23 Ų2364.5 Ų64.514%0.14130%0.299CS..Hα-helixtrans-78.9-39175.160.30000111.6N266 F268 L438 A439 W440 Y446N266-T442 VanDerWaalsContact ND2-CB 3.26Å; N266-T442 WeakPolarHBondContact ND2-CB 3.29Å; N266-T442 WeakPolarHBondContact ND2-CG2 3.49Å; F268-T442 HydrophobicContact CB-CG2 4.07Å; F268-T442 HydrophobicContact CD2-CG2 4.35Å; F268-T442 HydrophobicContact CG-CG2 4.49Å; L438-T442 WeakPolarHBondContact O-CB 3.44Å; L438-T442 WeakPolarHBondContact O-CG2 3.37Å; L438-T442 PolarHBondContact O-N 2.87Å; L438-T442 PolarHBondContact O-OG1 2.99Å; A439-T442 WeakPolarHBondContact CA-OG1 3.48Å; A439-T442 PolarHBondContact O-N 3.07Å; A439-T442 PolarHBondContact O-OG1 3.38Å; W440-T442 PolarHBondContact O-N 2.93Å; T442-Y446 WeakPolarHBondContact O-CB 3.27Å; T442-Y446 PolarHBondContact O-N 3.16Å; T442-Y446 VanDerWaalsContact O-N 3.14Å
443S76.4Confident75.2Confident58 Ų5866.3 Ų66.341%0.40630%0.304SS..Hα-helixtrans-71.5-41.8179.462.20000113.1A439 W440 F445 Y446A439-S443 PolarHBondContact O-N 3.2Å; A439-S443 PolarHBondContact O-OG 3.28Å; W440-S443 WeakPolarHBondContact CA-OG 3.49Å; W440-S443 PolarHBondContact O-N 3.14Å; W440-S443 VanDerWaalsContact O-N 3.14Å; W440-S443 PolarHBondContact O-OG 3.23Å; S443-F445 VanDerWaalsContact C-N 3.35Å; S443-F445 PolarHBondContact O-N 3.1Å; S443-Y446 PolarHBondContact O-N 3.35Å
444Q73.1Confident74.4Confident70 Ų7070.7 Ų70.733%0.32732%0.324SS..Hα-helixtrans-66.9-36.3-179.5-70.9-65.5-7.900113W440W440-Q444 HydrophobicContact CD2-CG 3.65Å; W440-Q444 HydrophobicContact CE3-CB 4.45Å; W440-Q444 HydrophobicContact CE3-CG 3.83Å; W440-Q444 HydrophobicContact CG-CG 4.34Å; W440-Q444 HydrophobicContact CH2-CG 3.85Å; W440-Q444 HydrophobicContact CZ2-CG 3.67Å; W440-Q444 HydrophobicContact CZ3-CB 4.38Å; W440-Q444 HydrophobicContact CZ3-CG 3.89Å; W440-Q444 WeakPolarHBondContact O-CB 3.46Å; W440-Q444 WeakPolarHBondContact O-CG 3.45Å; W440-Q444 PolarHBondContact O-N 2.75Å
445F65.8Low73.5Confident79 Ų7975.7 Ų75.735%0.34635%0.347SS..THydrogen-bonded Turntrans-95.38.3179.9-65.5-98.2000112.9K318 M319 V441 S443K318-F445 HydrophobicContact CG-CE1 4.41Å; K318-F445 HydrophobicContact CG-CZ 4.45Å; M319-F445 HydrophobicContact CG-CE2 4.4Å; M319-F445 HydrophobicContact CG-CZ 4.43Å; V441-F445 HydrophobicContact CG1-CD2 3.91Å; V441-F445 HydrophobicContact CG1-CE2 3.97Å; V441-F445 WeakPolarHBondContact O-CB 3.34Å; V441-F445 WeakPolarHBondContact O-CD2 3.44Å; S443-F445 VanDerWaalsContact C-N 3.35Å; S443-F445 PolarHBondContact O-N 3.1Å
446Y58.7Low72.4Confident139 Ų13975.9 Ų75.955%0.54535%0.349SS..THydrogen-bonded Turntrans-93.9-24.1169.6-172.7-90.6000111.8K263 T442 S443K263-Y446 WeakPolarHBondContact CD-OH 3.35Å; K263-Y446 HydrophobicContact CG-CE2 4.46Å; K263-Y446 WeakPolarHBondContact CG-OH 3.35Å; T442-Y446 WeakPolarHBondContact O-CB 3.27Å; T442-Y446 PolarHBondContact O-N 3.16Å; T442-Y446 VanDerWaalsContact O-N 3.14Å; S443-Y446 PolarHBondContact O-N 3.35Å
447N48.4Very low71.3Confident137 Ų13771.6 Ų71.673%0.73334%0.338SS*.  trans-94.63.1179.7-74.9-24.2000114
448R42.9Very low70.2Confident272 Ų27278.1 Ų78.1100%1.02637%0.369SS*.  trans-1120165-79.2-172.8177.6-1780.8108

Retrieved 448 of 448 residues in 126.7 ms (Link to these results)