A0A087Y991_POEFO Loading...

UTP3 small subunit processome component

AlphaFold DB , UniProt , Accession A0A087Y991, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 473 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
1M43.7Very low53.5Low244 Ų244186.5 Ų186.5100%1.20289%0.893SS**  01220-76.9178.2-172.800108.6
2V43Very low54Low132 Ų132190.4 Ų190.480%0.889%0.892SS**  trans-63.6127.7-174.71790000110.4V4V2-V4 HydrophobicContact CG1-CG2 4.06Å
3R46.7Very low54.4Low242 Ų242184.9 Ų184.991%0.91388%0.883SS**  trans-122.6107.1158.6-82-173178173.80.6108.7L5R3-L5 PolarHBondContact O-N 2.96Å
4V55.2Low54.9Low129 Ų129185.6 Ų185.678%0.78288%0.88SS**  trans-55.8121.5-179.7176.80000110.2V2 R6V2-V4 HydrophobicContact CG1-CG2 4.06Å; V4-R6 PolarHBondContact O-N 3.09Å
5L51Low55.1Low169 Ų169184.1 Ų184.189%0.88588%0.879SS**  trans-66.9111.8169.6-73.1160.6000108.4R3 A7R3-L5 PolarHBondContact O-N 2.96Å; L5-A7 PolarHBondContact O-N 2.96Å; L5-A7 VanDerWaalsContact O-N 3.1Å
6R55.4Low55.6Low243 Ų243180.4 Ų180.492%0.91787%0.872SS**  trans-64.2107.1170.6-114.1175.9170.3-178.1-3.1108.3V4 K8V4-R6 PolarHBondContact O-N 3.09Å; R6-K8 PolarHBondContact O-N 3.24Å; R6-K8 VanDerWaalsContact O-N 3.14Å
7A55.4Low56.3Low97 Ų97178.4 Ų178.480%0.80286%0.86SS**  trans-61.3113.1170.900000109.5L5 K9L5-A7 PolarHBondContact O-N 2.96Å; L5-A7 VanDerWaalsContact O-N 3.1Å; A7-K9 PolarHBondContact O-N 2.95Å
8K59.9Low56.8Low200 Ų200178.8 Ų178.887%0.8786%0.861SS**  trans-65.1116.7165.7-83.8179.6175.3176.70107.3R6 Q10R6-K8 PolarHBondContact O-N 3.24Å; R6-K8 VanDerWaalsContact O-N 3.14Å; K8-Q10 PolarHBondContact O-N 2.79Å
9K54.8Low57.5Low207 Ų207174.1 Ų174.190%0.984%0.836SS**  trans-53.1113.6168.8-89.1-178.7174.1179.30108.5A7 K11A7-K9 PolarHBondContact O-N 2.95Å; K9-K11 PolarHBondContact O-N 3.19Å
10Q61Low58Low187 Ų187172 Ų17287%0.87483%0.83SS**PPolyproline II helixtrans-62.8125.6165.5-71.2-171.8-25.100107.7K8 R12K8-Q10 PolarHBondContact O-N 2.79Å; Q10-R12 PolarHBondContact O-N 3.14Å
11K62.8Low58.2Low202 Ų202172 Ų17288%0.87883%0.829SS**PPolyproline II helixtrans-63.2128.3171.1-72.4-178.5177.2179.50107K9K9-K11 PolarHBondContact O-N 3.19Å
12R58.8Low59.2Low233 Ų233167.7 Ų167.788%0.87981%0.81SS**PPolyproline II helixtrans-56.3139171.1-69.9-179.2166.5-172.7-5.8108.6Q10 K14Q10-R12 PolarHBondContact O-N 3.14Å; R12-K14 PolarHBondContact O-N 2.98Å
13P59.2Low60.8Low119 Ų119164.5 Ų164.577%0.77379%0.789SS**PPolyproline II helixtrans-58.5132.117126.4-32.5000108N15P13-N15 PolarHBondContact O-N 2.87Å
14K61.4Low61.9Low195 Ų195157.9 Ų157.985%0.84878%0.777SS**PPolyproline II helixtrans-64.8123.9168.3-70.4-179.8176.2-177.30106R12 V16R12-K14 PolarHBondContact O-N 2.98Å; K14-V16 PolarHBondContact O-N 2.93Å; K14-V16 VanDerWaalsContact O-N 3.11Å
15N57.8Low62.7Low162 Ų162159.2 Ų159.287%0.86677%0.773SS**PPolyproline II helixtrans-58118.3164.9-97.82000106.8P13P13-N15 PolarHBondContact O-N 2.87Å
16V64Low63.4Low125 Ų125153.3 Ų153.376%0.75875%0.748SS**  trans-83.1110.6166.3-177.70000104.2K14 Q18K14-V16 PolarHBondContact O-N 2.93Å; K14-V16 VanDerWaalsContact O-N 3.11Å; V16-Q18 PolarHBondContact O-N 3.26Å; V16-Q18 VanDerWaalsContact O-N 3.13Å
17E68.1Low64Low146 Ų146147.6 Ų147.668%0.68273%0.728SS**  trans-62.6113.2168.8-67.6176.817600106.4F19E17-F19 HydrophobicContact CB-CE2 4.12Å; E17-F19 HydrophobicContact CB-CZ 3.98Å
18Q64.8Low64.7Low186 Ų186146 Ų14687%0.86972%0.721SS**PPolyproline II helixtrans-80.2119.1170.8-76.8179-24.900106.7V16V16-Q18 PolarHBondContact O-N 3.26Å; V16-Q18 VanDerWaalsContact O-N 3.13Å
19F69.3Low65.2Low89 Ų89144.2 Ų144.239%0.3972%0.72SS.*PPolyproline II helixtrans-93.1139.8171.5-61.7-75.8000107.8E17 D23 K25 A26E17-F19 HydrophobicContact CB-CE2 4.12Å; E17-F19 HydrophobicContact CB-CZ 3.98Å; F19-D23 HydrophobicContact CB-CB 4.02Å; F19-D23 WeakPolarHBondContact CD1-OD2 3.37Å; F19-K25 HydrophobicContact CE1-CD 4.44Å; F19-A26 HydrophobicContact CB-CB 4.26Å
20D67.8Low66Low133 Ų133139.7 Ų139.771%0.71170%0.704SS**PPolyproline II helixtrans-66.9159174.9-66.5-35.5000110.4D22 D23D20-D22 PolarHBondContact O-N 3.04Å; D20-D23 WeakPolarHBondContact O-CB 3.43Å; D20-D23 PolarHBondContact O-N 2.93Å
21E62.5Low66.6Low172 Ų172136.3 Ų136.380%0.80470%0.698SS**THydrogen-bonded Turntrans-58.8-22.4-172.1-68-179.3170.100113.7Y27E21-Y27 WeakPolarHBondContact O-CE2 3.41Å; E21-Y27 PolarHBondContact O-OH 3.44Å
22D64.5Low67.1Low153 Ų153133 Ų13382%0.81870%0.695SS**THydrogen-bonded Turntrans-97.41.9-179.5-68.5-35.8000114.5D20D20-D22 PolarHBondContact O-N 3.04Å
23D76.9Confident67.7Low66 Ų66124.5 Ų124.535%0.35367%0.67SS.*  trans-80.7121.2-173.6-137.8-8.8000110.9F19 D20 K25 A26F19-D23 HydrophobicContact CB-CB 4.02Å; F19-D23 WeakPolarHBondContact CD1-OD2 3.37Å; D20-D23 WeakPolarHBondContact O-CB 3.43Å; D20-D23 PolarHBondContact O-N 2.93Å; D23-K25 PolarHBondContact O-N 2.86Å; D23-A26 VanDerWaalsContact O-CB 3.3Å; D23-A26 WeakPolarHBondContact O-CB 3.27Å; D23-A26 PolarHBondContact O-N 2.94Å
24P70.2Confident68.5Low103 Ų103125.1 Ų125.167%0.66967%0.667SS**THydrogen-bonded Turntrans-63.9-16-169.723.6-35.3000114.3
25K71.5Confident69.1Low156 Ų156123.5 Ų123.568%0.67866%0.66SS**THydrogen-bonded Turntrans-76.1-21.5174.9-69.2177.4-177.5169.10113.1F19 D23 Y27 G28F19-K25 HydrophobicContact CE1-CD 4.44Å; D23-K25 PolarHBondContact O-N 2.86Å; K25-Y27 VanDerWaalsContact C-N 3.26Å; K25-Y27 PolarHBondContact O-N 3.49Å; K25-G28 PolarHBondContact O-N 2.86Å
26A65.7Low69.9Low45 Ų45127.5 Ų127.537%0.37266%0.663SS.*G310 helixtrans-67.3-30.117600000112F19 D23F19-A26 HydrophobicContact CB-CB 4.26Å; D23-A26 VanDerWaalsContact O-CB 3.3Å; D23-A26 WeakPolarHBondContact O-CB 3.27Å; D23-A26 PolarHBondContact O-N 2.94Å
27Y68.1Low70.5Confident124 Ų124123.1 Ų123.149%0.48664%0.637SS.*G310 helixtrans-85.4-10.5-177.6-61.6-93000113.7E21 K25 N29 M30E21-Y27 WeakPolarHBondContact O-CE2 3.41Å; E21-Y27 PolarHBondContact O-OH 3.44Å; K25-Y27 VanDerWaalsContact C-N 3.26Å; K25-Y27 PolarHBondContact O-N 3.49Å; Y27-N29 VanDerWaalsContact C-N 3.26Å; Y27-N29 PolarHBondContact O-N 3.38Å; Y27-M30 HydrophobicContact CD1-CE 3.11Å; Y27-M30 HydrophobicContact CE1-CE 3.63Å; Y27-M30 HydrophobicContact CG-CE 3.95Å; Y27-M30 PolarHBondContact O-N 2.87Å
28G69.7Low70.7Confident64 Ų64119.8 Ų119.866%0.6663%0.63SS**G310 helixtrans-68.6-18.1-174.100000115.5K25K25-G28 PolarHBondContact O-N 2.86Å
29N71.5Confident71.1Confident161 Ų161117.6 Ų117.686%0.86162%0.62SS**G310 helixtrans-1012.1178.1-70.8-38.5000113.4Y27Y27-N29 VanDerWaalsContact C-N 3.26Å; Y27-N29 PolarHBondContact O-N 3.38Å
30M71.6Confident71.5Confident112 Ų112117.9 Ų117.955%0.55262%0.621SS**SBendtrans-77.4133.8175.4-82.7-165.3-89.500110.5Y27 V32Y27-M30 HydrophobicContact CD1-CE 3.11Å; Y27-M30 HydrophobicContact CE1-CE 3.63Å; Y27-M30 HydrophobicContact CG-CE 3.95Å; Y27-M30 PolarHBondContact O-N 2.87Å; M30-V32 PolarHBondContact O-N 3.2Å
31P72.9Confident71.9Confident117 Ų117119.3 Ų119.376%0.7662%0.618SS**PPolyproline II helixtrans-64.4124.6174.226.7-31.5000108.8P33P31-P33 VanDerWaalsContact O-CD 3.28Å; P31-P33 WeakPolarHBondContact O-CD 3.31Å
32V73.3Confident72.8Confident132 Ų132115.5 Ų115.580%0.860%0.598SS**PPolyproline II helixtrans-72.9117.8174.41800000107.7M30M30-V32 PolarHBondContact O-N 3.2Å
33P71.5Confident73.7Confident55 Ų55113.4 Ų113.436%0.35759%0.587SS.*PPolyproline II helixtrans-63.6143.5179.8-21.433.8000111.4P31 K35 F40P31-P33 VanDerWaalsContact O-CD 3.28Å; P31-P33 WeakPolarHBondContact O-CD 3.31Å; P33-K35 PolarHBondContact O-N 3.13Å; P33-F40 HydrophobicContact CB-CB 4.41Å
34D74.9Confident73.9Confident132 Ų132118.9 Ų118.971%0.70661%0.608SS**PPolyproline II helixtrans-64.8132.6176.8-83.8-27000110.2R36 S37D34-R36 PolarHBondContact O-N 3.49Å; D34-S37 WeakPolarHBondContact O-CB 3.06Å; D34-S37 PolarHBondContact O-N 3.22Å; D34-S37 PolarHBondContact O-OG 3.16Å
35K74.6Confident74.4Confident161 Ų161119.4 Ų119.470%0.760%0.604SS**THydrogen-bonded Turntrans-59.9-9-176.2-64.4-177.6178.8-177.80115.5P33 Y41P33-K35 PolarHBondContact O-N 3.13Å; K35-Y41 WeakPolarHBondContact O-CE2 3.26Å
36R74.5Confident75.3Confident246 Ų246115.3 Ų115.393%0.92859%0.59SS**THydrogen-bonded Turntrans-106.6-5.9176.4-72-177.1175.2167-2113.1D34D34-R36 PolarHBondContact O-N 3.49Å
37S77.5Confident76.4Confident33 Ų33117.3 Ų117.323%0.23159%0.591CS.*SBendtrans-78.6148177.169.30000110.3D34 E39 F40D34-S37 WeakPolarHBondContact O-CB 3.06Å; D34-S37 PolarHBondContact O-N 3.22Å; D34-S37 PolarHBondContact O-OG 3.16Å; S37-E39 PolarHBondContact O-N 3.15Å; S37-F40 WeakPolarHBondContact O-CB 3.32Å; S37-F40 PolarHBondContact O-N 3.44Å
38S71.6Confident77.5Confident76 Ų76117.6 Ų117.653%0.53160%0.595SS.*G310 helixtrans-63-28.2175.249.20000112.2F40 Y41 K42S38-F40 PolarHBondContact O-N 2.88Å; S38-Y41 PolarHBondContact O-N 3.03Å; S38-K42 WeakPolarHBondContact O-CB 3.43Å; S38-K42 PolarHBondContact O-N 3.38Å
39E72.4Confident78.3Confident139 Ų139119.4 Ų119.465%0.6559%0.586SS**G310 helixtrans-64.4-16.8176.4-62.7177-179.700113.2S37S37-E39 PolarHBondContact O-N 3.15Å
40F78.7Confident79.2Confident96 Ų96115.1 Ų115.142%0.42156%0.563SS.*G310 helixtrans-82.6-23.9173.5-175.2-98.3000112.9P33 S37 S38P33-F40 HydrophobicContact CB-CB 4.41Å; S37-F40 WeakPolarHBondContact O-CB 3.32Å; S37-F40 PolarHBondContact O-N 3.44Å; S38-F40 PolarHBondContact O-N 2.88Å
41Y76.2Confident80.1Confident163 Ų163115.3 Ų115.364%0.63956%0.563SS**THydrogen-bonded Turntrans-112.6-21.2-173.6-70-74.5000113.9K35 S38K35-Y41 WeakPolarHBondContact O-CE2 3.26Å; S38-Y41 PolarHBondContact O-N 3.03Å
42K80.9Confident80.7Confident91 Ų91115.7 Ų115.740%0.39655%0.553SS.*  trans-116114.1-179.4-62.4-169.3175.3-160.10108.6S38 D46 E47 D50S38-K42 WeakPolarHBondContact O-CB 3.43Å; S38-K42 PolarHBondContact O-N 3.38Å; K42-D46 HydrophobicContact CB-CB 4.27Å; K42-E47 HydrophobicContact CB-CG 4.4Å; K42-D50 IonicContact NZ-OD2 2.72Å; K42-D50 PolarHBondContact NZ-OD2 3.39Å
43D82.8Confident81.3Confident109 Ų109114.3 Ų114.358%0.58354%0.54SS*.  trans-79.7167.8170.2-74.1-15.6000109.9I45 D46 E47D43-I45 PolarHBondContact O-N 3.38Å; D43-D46 PolarHBondContact N-OD2 3.15Å; D43-D46 WeakPolarHBondContact O-CB 3.23Å; D43-D46 PolarHBondContact O-N 2.95Å; D43-E47 PolarHBondContact O-N 3.37Å
44K82.1Confident82.1Confident182 Ų182114.4 Ų114.479%0.79155%0.545SS*.Hα-helixtrans-57.4-24.1178.2-65.9177.5-179.5171.60113.5F48K44-F48 PolarHBondContact O-N 2.82Å
45I81.6Confident82.6Confident114 Ų114115.2 Ų115.259%0.58554%0.542SS*.Hα-helixtrans-74.7-43.2175.6-61.4173.6000109.4D43 E47 F48 H49D43-I45 PolarHBondContact O-N 3.38Å; I45-E47 VanDerWaalsContact C-N 3.33Å; I45-E47 PolarHBondContact O-N 3.22Å; I45-F48 WeakPolarHBondContact O-CB 3.43Å; I45-F48 PolarHBondContact O-N 3.45Å; I45-H49 PolarHBondContact O-CD2 3.24Å; I45-H49 PolarHBondContact O-N 2.85Å
46D88.7Confident82.6Confident70 Ų70112.3 Ų112.337%0.37453%0.534SS..Hα-helixtrans-64.3-40.7178.3-56.6-39.8000111.1K42 D43 F48 H49 D50K42-D46 HydrophobicContact CB-CB 4.27Å; D43-D46 PolarHBondContact N-OD2 3.15Å; D43-D46 WeakPolarHBondContact O-CB 3.23Å; D43-D46 PolarHBondContact O-N 2.95Å; D46-F48 VanDerWaalsContact C-N 3.33Å; D46-F48 PolarHBondContact O-N 3.38Å; D46-H49 PolarHBondContact O-N 3.34Å; D46-D50 WeakPolarHBondContact O-CB 3.24Å; D46-D50 PolarHBondContact O-N 3.46Å
47E89Confident82.8Confident87 Ų87107.5 Ų107.541%0.40753%0.526SS..Hα-helixtrans-60.1-41.6174.1-67.6-177.7160.200112.1K42 D43 I45 H49 D50 E51K42-E47 HydrophobicContact CB-CG 4.4Å; D43-E47 PolarHBondContact O-N 3.37Å; I45-E47 VanDerWaalsContact C-N 3.33Å; I45-E47 PolarHBondContact O-N 3.22Å; E47-H49 VanDerWaalsContact C-N 3.34Å; E47-H49 PolarHBondContact O-N 3.39Å; E47-D50 PolarHBondContact O-N 3.42Å; E47-E51 WeakPolarHBondContact O-CB 3.39Å; E47-E51 WeakPolarHBondContact O-CG 3.36Å; E47-E51 PolarHBondContact O-N 2.85Å
48F91.3Very high82.8Confident129 Ų129110.1 Ų110.157%0.56655%0.55SS*.Hα-helixtrans-64-39.3176.6178.3-100.7000112.3K44 I45 D46 K52K44-F48 PolarHBondContact O-N 2.82Å; I45-F48 WeakPolarHBondContact O-CB 3.43Å; I45-F48 PolarHBondContact O-N 3.45Å; D46-F48 VanDerWaalsContact C-N 3.33Å; D46-F48 PolarHBondContact O-N 3.38Å; F48-K52 WeakPolarHBondContact O-CB 3.28Å; F48-K52 PolarHBondContact O-N 3.45Å
49H87.8Confident82.9Confident102 Ų102114.1 Ų114.147%0.47256%0.56SS.*Hα-helixtrans-70.9-42178.3-75.6-127.6000111.1I45 D46 E47 E51 K52 I53I45-H49 PolarHBondContact O-CD2 3.24Å; I45-H49 PolarHBondContact O-N 2.85Å; D46-H49 PolarHBondContact O-N 3.34Å; E47-H49 VanDerWaalsContact C-N 3.34Å; E47-H49 PolarHBondContact O-N 3.39Å; H49-E51 PolarHBondContact O-N 2.82Å; H49-K52 WeakPolarHBondContact O-CB 3.37Å; H49-K52 PolarHBondContact O-N 2.91Å; H49-I53 WeakPolarHBondContact O-CD1 3.39Å; H49-I53 WeakPolarHBondContact O-CG1 3.44Å; H49-I53 PolarHBondContact O-N 3.13Å
50D89.6Confident82Confident72 Ų72110.2 Ų110.239%0.38556%0.557SS.*Hα-helixtrans-60.4-43.5174.7-78.7-9.7000111.5K42 D46 E47 K52 I53 A54K42-D50 IonicContact NZ-OD2 2.72Å; K42-D50 PolarHBondContact NZ-OD2 3.39Å; D46-D50 WeakPolarHBondContact O-CB 3.24Å; D46-D50 PolarHBondContact O-N 3.46Å; E47-D50 PolarHBondContact O-N 3.42Å; D50-K52 VanDerWaalsContact C-N 3.34Å; D50-K52 PolarHBondContact O-N 2.92Å; D50-I53 PolarHBondContact O-N 2.94Å; D50-A54 WeakPolarHBondContact O-CB 3.23Å; D50-A54 PolarHBondContact O-N 3.11Å
51E89.6Confident80.6Confident115 Ų115110.7 Ų110.754%0.53757%0.567SS.*Hα-helixtrans-64.9-37.5175.7-76.8-173.8-176.600112.8E47 H49 K55E47-E51 WeakPolarHBondContact O-CB 3.39Å; E47-E51 WeakPolarHBondContact O-CG 3.36Å; E47-E51 PolarHBondContact O-N 2.85Å; H49-E51 PolarHBondContact O-N 2.82Å; E51-K55 WeakPolarHBondContact O-CB 3.35Å; E51-K55 WeakPolarHBondContact O-CG 3.44Å; E51-K55 PolarHBondContact O-N 3.39Å
52K86.5Confident79Confident126 Ų126110.8 Ų110.855%0.54857%0.574SS.*Hα-helixtrans-65.6-43.8175.4-173.7-179.3178.8-175.40110.7F48 H49 D50 K55 L56F48-K52 WeakPolarHBondContact O-CB 3.28Å; F48-K52 PolarHBondContact O-N 3.45Å; H49-K52 WeakPolarHBondContact O-CB 3.37Å; H49-K52 PolarHBondContact O-N 2.91Å; D50-K52 VanDerWaalsContact C-N 3.34Å; D50-K52 PolarHBondContact O-N 2.92Å; K52-K55 PolarHBondContact O-N 3.1Å; K52-L56 HydrophobicContact CG-CD1 4.43Å; K52-L56 WeakPolarHBondContact O-CG 3.31Å; K52-L56 PolarHBondContact O-N 3.39Å
53I84.8Confident77.2Confident102 Ų102115.3 Ų115.352%0.52360%0.599SS.*Hα-helixtrans-64.5-44.8176.9-67.4162.8000110.4H49 D50 K55 L56 L57H49-I53 WeakPolarHBondContact O-CD1 3.39Å; H49-I53 WeakPolarHBondContact O-CG1 3.44Å; H49-I53 PolarHBondContact O-N 3.13Å; D50-I53 PolarHBondContact O-N 2.94Å; I53-K55 VanDerWaalsContact C-N 3.33Å; I53-K55 PolarHBondContact O-N 3.4Å; I53-L56 PolarHBondContact O-N 2.76Å; I53-L57 WeakPolarHBondContact O-CB 3.24Å; I53-L57 PolarHBondContact O-N 3.34Å
54A88.2Confident74.7Confident58 Ų58118.8 Ų118.848%0.47961%0.611SS.*Hα-helixtrans-61.8-39.6177.600000112.3D50 L57 A58D50-A54 WeakPolarHBondContact O-CB 3.23Å; D50-A54 PolarHBondContact O-N 3.11Å; A54-L57 PolarHBondContact O-N 3.43Å; A54-A58 VanDerWaalsContact O-CB 3.28Å; A54-A58 WeakPolarHBondContact O-CB 3.5Å; A54-A58 PolarHBondContact O-N 3.47Å
55K86.4Confident72.6Confident148 Ų148114.4 Ų114.464%0.64360%0.604SS**Hα-helixtrans-65.4-40173.7-82.5171.7-177.1154.30112.6E51 K52 I53 A58 H59E51-K55 WeakPolarHBondContact O-CB 3.35Å; E51-K55 WeakPolarHBondContact O-CG 3.44Å; E51-K55 PolarHBondContact O-N 3.39Å; K52-K55 PolarHBondContact O-N 3.1Å; I53-K55 VanDerWaalsContact C-N 3.33Å; I53-K55 PolarHBondContact O-N 3.4Å; K55-A58 PolarHBondContact O-N 2.9Å; K55-H59 WeakPolarHBondContact O-CB 3.47Å; K55-H59 PolarHBondContact O-N 2.8Å
56L75.1Confident70.8Confident100 Ų100116.1 Ų116.152%0.52461%0.614SS.*Hα-helixtrans-66.6-39.1176.5-72.7170.2000111.9K52 I53 H59K52-L56 HydrophobicContact CG-CD1 4.43Å; K52-L56 WeakPolarHBondContact O-CG 3.31Å; K52-L56 PolarHBondContact O-N 3.39Å; I53-L56 PolarHBondContact O-N 2.76Å; L56-H59 PolarHBondContact O-N 3.49Å
57L77.9Confident68.3Low145 Ų145118.8 Ų118.876%0.75963%0.633SS**Hα-helixtrans-68.1-41.6176.4-152.978.6000111.7I53 A54 H59 G60I53-L57 WeakPolarHBondContact O-CB 3.24Å; I53-L57 PolarHBondContact O-N 3.34Å; A54-L57 PolarHBondContact O-N 3.43Å; L57-H59 VanDerWaalsContact C-N 3.26Å; L57-H59 PolarHBondContact O-N 3.05Å; L57-G60 PolarHBondContact O-N 3.24Å
58A77.6Confident66.2Low89 Ų89122.8 Ų122.874%0.73665%0.651SS**Hα-helixtrans-67.8-25.4175.600000113A54 K55 G60A54-A58 VanDerWaalsContact O-CB 3.28Å; A54-A58 WeakPolarHBondContact O-CB 3.5Å; A54-A58 PolarHBondContact O-N 3.47Å; K55-A58 PolarHBondContact O-N 2.9Å; A58-G60 PolarHBondContact O-N 3.02Å
59H73.5Confident63.6Low159 Ų159124.4 Ų124.474%0.73666%0.66SS**THydrogen-bonded Turntrans-75.6-2.4175-149.951.6000113.2K55 L56 L57 V61K55-H59 WeakPolarHBondContact O-CB 3.47Å; K55-H59 PolarHBondContact O-N 2.8Å; L56-H59 PolarHBondContact O-N 3.49Å; L57-H59 VanDerWaalsContact C-N 3.26Å; L57-H59 PolarHBondContact O-N 3.05Å; H59-V61 PolarHBondContact O-N 3.44Å
60G53Low61.2Low57 Ų57126.9 Ų126.959%0.58868%0.676SS**THydrogen-bonded Turntrans67.933.6166.500000114.3L57 A58 Q62L57-G60 PolarHBondContact O-N 3.24Å; A58-G60 PolarHBondContact O-N 3.02Å; G60-Q62 PolarHBondContact O-N 2.66Å; G60-Q62 VanDerWaalsContact O-N 3.13Å
61V50.7Low59Low106 Ų106130 Ų13064%0.64269%0.693SS**  trans-70.6108170.6-177.90000107.8H59 M63H59-V61 PolarHBondContact O-N 3.44Å; V61-M63 PolarHBondContact O-N 2.92Å
62Q41.7Very low56.6Low166 Ų166131.4 Ų131.478%0.77670%0.704SS**  trans-57.4122.5165.7-78171.4-43.900107.8G60 E64G60-Q62 PolarHBondContact O-N 2.66Å; G60-Q62 VanDerWaalsContact O-N 3.13Å; Q62-E64 PolarHBondContact O-N 3.01Å
63M44.2Very low54.3Low186 Ų186133.4 Ų133.492%0.91672%0.716SS**  trans-66.885.8166-85.1-110.4-145.700108V61 S65V61-M63 PolarHBondContact O-N 2.92Å; M63-S65 PolarHBondContact O-N 3.34Å
64E30.2Very low52.1Low181 Ų181137.3 Ų137.385%0.84673%0.732SS**  trans-68.9104.5156.1-74.3-179.1163.500107Q62Q62-E64 PolarHBondContact O-N 3.01Å
65S38.2Very low49.7Very low91 Ų91142.9 Ų142.964%0.63675%0.748SS**  trans-87.7129.7169.160.10000110M63M63-S65 PolarHBondContact O-N 3.34Å
66D41.9Very low47.4Very low149 Ų149142.2 Ų142.280%0.79776%0.756SS**  trans70.879.4171.2-81.6-17.3000117.6
67V37.2Very low45.5Very low127 Ų127145.2 Ų145.277%0.7777%0.769SS**  -98.8125.4122.3177.80000105.2E69V67-E69 PolarHBondContact O-N 3.16Å
68E44.6Very low43.5Very low170 Ų170142.1 Ų142.179%0.79477%0.765SS**  trans-59.386.3166.6-70.6-166.8166.800108.9L70E68-L70 PolarHBondContact O-N 3.42Å
69E37.6Very low41.4Very low163 Ų163144.4 Ų144.476%0.76276%0.764SS**  trans-74.8100.3160.8-93-179.2166.700106.5V67 D71V67-E69 PolarHBondContact O-N 3.16Å; E69-D71 VanDerWaalsContact C-N 3.3Å; E69-D71 PolarHBondContact O-N 3.42Å
70L37.4Very low39.1Very low154 Ų154143.5 Ų143.581%0.80676%0.764SS**  trans-51.797.8161.4-68.8164.2000108.9E68 D72E68-L70 PolarHBondContact O-N 3.42Å; L70-D72 PolarHBondContact O-N 3.2Å
71D43.2Very low38Very low138 Ų138148.3 Ų148.374%0.73877%0.771SS**  trans42.263143.3-149.925.5000114.8E69 E73E69-D71 VanDerWaalsContact C-N 3.3Å; E69-D71 PolarHBondContact O-N 3.42Å; D71-E73 PolarHBondContact O-N 3.38Å
72D38.4Very low36.8Very low144 Ų144147.4 Ų147.477%0.7777%0.77SS**  trans-90.476.9166.1-84.1-28000108.3L70 E74L70-D72 PolarHBondContact O-N 3.2Å; D72-E74 PolarHBondContact O-N 3.09Å
73E38.8Very low36.2Very low169 Ų169148 Ų14879%0.7977%0.773SS**  trans-60.8120160.3-74-172.8162.300109D71 E75D71-E73 PolarHBondContact O-N 3.38Å; E73-E75 PolarHBondContact O-N 3.06Å
74E39Very low35.3Very low184 Ų184143.9 Ų143.986%0.8676%0.762SS**  trans-62.1107.9-179.8-167.7175.7-152.100110.9D72D72-E74 PolarHBondContact O-N 3.09Å
75E38.1Very low35.4Very low175 Ų175143.8 Ų143.882%0.81876%0.762SS**  trans-119.9118.9163.6-82.3-166.8170.400112.4E73E73-E75 PolarHBondContact O-N 3.06Å
76V36.5Very low34.9Very low134 Ų134148.3 Ų148.381%0.81277%0.773SS**  trans-60.4137.7-173.7-1760000111.6
77M35.8Very low34.5Very low162 Ų162150 Ų15080%0.79878%0.776SS**  trans-50.1139.8173.2-81.9-103.2-7000113.4
78A35.9Very low34.1Very low81 Ų81153.3 Ų153.367%0.66978%0.783SS**  trans-137.8138.9150.300000111
79L33.1Very low33.2Very low137 Ų137152.9 Ų152.972%0.71778%0.781SS**  trans-78.8154.1-166.7-74.3148000112.7
80D26.5Very low32.9Very low139 Ų139152.6 Ų152.674%0.74378%0.78SS**  trans28.2142.9151.4-89.9-27000125.3
81E28.6Very low32.5Very low158 Ų158154.3 Ų154.374%0.73878%0.783SS**  trans93.9116.8135.9-87.2175.2162.100122.5
82S24.9Very low32Very low88 Ų88156.9 Ų156.962%0.61579%0.791SS**  trans63.7156139.269.50000119.2K450S82-K450 PolarHBondContact O-NZ 3.37Å
83E29.6Very low31.5Very low179 Ų179159.6 Ų159.684%0.83680%0.799SS**  cis-171.8171.5-31.6-170.5164.4-147.300103.9
84S25.1Very low31.2Very low99 Ų99160.9 Ų160.969%0.69281%0.805SS**  trans76.7108.7173.384.40000118
85E33.3Very low30.8Very low178 Ų178157.1 Ų157.183%0.83281%0.805SS**  67.3127.575.9-64.8-179.1176.400110.5
86E28.4Very low30.5Very low186 Ų186158.4 Ų158.487%0.86981%0.812SS**  -162.6172.957-75.8174.6152.400112.9
87E33.5Very low30.3Very low184 Ų184155.9 Ų155.986%0.8681%0.813SS**  trans-83.3167.7-170.1-57.3173148.600114.8
88E27.8Very low30.1Very low198 Ų198155.3 Ų155.393%0.92582%0.818SS**  179.4147.4120.4-97.2177.8-178.400114.6
89Q26.2Very low29.9Very low161 Ų161158.6 Ų158.675%0.75283%0.825SS**  trans-78.8-179.1-175.8-72170.3-54.800113.4
90E31.5Very low29.9Very low156 Ų156161.2 Ų161.273%0.72984%0.835SS**  cis-170.3170.4-15.8-105.9171-155.200106.2
91E27.7Very low30.2Very low190 Ų190163.3 Ų163.389%0.88884%0.841SS**  trans139.9138.4133.5-72.5-168.5170.500116.3
92E32.7Very low30.6Very low193 Ų193161.3 Ų161.390%0.90284%0.844SS**  trans-107158.9-171.7-65.2177.7149.300112.2
93E28.5Very low31Very low201 Ų201164 Ų16494%0.93985%0.852SS**  trans-147.5142.4153.7-79.1-160.616100112.7
94E33.1Very low31.3Very low196 Ų196162 Ų16292%0.91685%0.846SS**  trans-90161.9176.9-70.9-165.2148.800114.1
95A29.7Very low31.9Very low104 Ų104165.7 Ų165.786%0.8685%0.852SS**  trans-150.8131.4159.800000114
96E31.7Very low31.9Very low203 Ų203166 Ų16695%0.94985%0.854SS**  trans-76.1156.7174.7-75.7-178139.800114.3
97G33.1Very low32.5Very low81 Ų81165.4 Ų165.484%0.83585%0.848SS**  trans-132.5136.7174.500000113.4
98T30.3Very low32.4Very low150 Ų150166.2 Ų166.292%0.9285%0.849SS**  trans-87.6155.7-173.951.60000114.8
99D33.1Very low33.3Very low150 Ų150163.9 Ų163.980%0.80284%0.838SS**  trans-90.8148.8-172.6-149.76.1000113.9
100M33.2Very low34.2Very low191 Ų191165.1 Ų165.194%0.94184%0.844SS**  trans-162.6130.3158-144.5167.7-178.200112.3
101E32.8Very low34.8Very low183 Ų183165.1 Ų165.186%0.85585%0.849SS**  trans-117.1153.1-169.2-173.5178.4-14500112.1
102S35.7Very low36Very low116 Ų116164.1 Ų164.181%0.81185%0.849SS**  trans140.8150.7148.6810000111.2
103D34.8Very low37.2Very low146 Ų146160 Ų16078%0.78184%0.839SS**  cis-177.7164.2-22.9179.722.4000104.6
104L35.3Very low38.6Very low135 Ų135154.1 Ų154.171%0.70782%0.82SS**  trans91.294.2160.6-130.392.8000119.3
105E36.7Very low39.8Very low177 Ų177154.1 Ų154.183%0.82782%0.82SS**  176.7121.4111-94.7177.2-174.500113.4
106E35.3Very low41.5Very low184 Ų184155.7 Ų155.786%0.8681%0.811SS**  trans43.4104144.1-146.5167.7-165.500120.5K108E106-K108 PolarHBondContact O-N 3.31Å
107K40.6Very low43.2Very low174 Ų174148.8 Ų148.876%0.75779%0.789SS**  trans-56.9123.5162.1-76.2-179.5167.3-166.30111.2E109K107-E109 IonicContact NZ-OE1 3.58Å
108K31.5Very low44.4Very low201 Ų201153.6 Ų153.687%0.87478%0.782SS**  trans-101.4114.1141-76-178.8180174.40107.3E106E106-K108 PolarHBondContact O-N 3.31Å
109E46.5Very low46.2Very low150 Ų150148.2 Ų148.270%0.70176%0.756SS**  trans-72.6150.2164-57-161.7161.900108K107K107-E109 IonicContact NZ-OE1 3.58Å
110E45.2Very low48Very low186 Ų186148.3 Ų148.387%0.86976%0.762SS**  trans95.451-172-53.2-172.8-172.300117.1
111D43.9Very low50.1Low157 Ų157146.5 Ų146.584%0.8475%0.749SS**  trans-154.192.8135.1-88.8-37.2000106.8P113D111-P113 WeakPolarHBondContact O-CD 3.42Å
112L53.1Low51.9Low168 Ų168145.3 Ų145.388%0.8874%0.741SS**PPolyproline II helixtrans-53.3124163.3-76.9157.5000106.4S114L112-S114 PolarHBondContact O-N 2.98Å
113P56.6Low53.7Low107 Ų107148.2 Ų148.270%0.69574%0.739SS**PPolyproline II helixtrans-52.4138.9171.8-21.331.4000108.4D111 E115D111-P113 WeakPolarHBondContact O-CD 3.42Å; P113-E115 PolarHBondContact O-N 2.75Å
114S58.9Low55.3Low78 Ų78147.6 Ų147.655%0.54573%0.733SS.*PPolyproline II helixtrans-55.7134.9174.176.10000108.6L112 M116 A117L112-S114 PolarHBondContact O-N 2.98Å; S114-M116 PolarHBondContact O-N 2.94Å; S114-A117 PolarHBondContact O-N 3.28Å; S114-A117 WeakPolarHBondContact OG-CB 3.24Å; S114-A117 PolarHBondContact OG-N 3.32Å
115E58.6Low56.8Low195 Ų195145.9 Ų145.991%0.91172%0.72SS**THydrogen-bonded Turntrans-54.5-12.9176.9-68.8171.1169.800112.7P113P113-E115 PolarHBondContact O-N 2.75Å
116M64.8Low58.3Low137 Ų137144.8 Ų144.868%0.67571%0.71SS**THydrogen-bonded Turntrans-96.8-12.1-179.8-161.265.616200114.1S114 W118S114-M116 PolarHBondContact O-N 2.94Å; M116-W118 PolarHBondContact O-N 3.42Å
117A67.4Low59.4Low58 Ų58141.8 Ų141.848%0.47970%0.7SS.*  trans-88.4102.2-177.300000110S114 G119S114-A117 PolarHBondContact O-N 3.28Å; S114-A117 WeakPolarHBondContact OG-CB 3.24Å; S114-A117 PolarHBondContact OG-N 3.32Å; A117-G119 PolarHBondContact O-N 3.1Å
118W59Low60.1Low183 Ų183136.9 Ų136.969%0.69368%0.684SS**  trans-56.6114166.2-155.4-66000108.3M116 F125M116-W118 PolarHBondContact O-N 3.42Å; W118-F125 AromaticContact CD1-CD2 3.95Å; W118-F125 HydrophobicContact CD2-CD2 4.41Å; W118-F125 AromaticContact CE2-CD2 3.35Å; W118-F125 AromaticContact CE2-CE2 3.87Å; W118-F125 AromaticContact CZ2-CD2 3.48Å; W118-F125 HydrophobicContact CZ2-CD2 3.48Å; W118-F125 VanDerWaalsContact CZ2-CD2 3.48Å; W118-F125 AromaticContact CZ2-CE2 3.69Å; W118-F125 HydrophobicContact CZ2-CE2 3.69Å; W118-F125 HydrophobicContact CZ2-CG 4.11Å; W118-F125 AromaticContact NE1-CD2 3.09Å; W118-F125 AromaticContact NE1-CG 3.69Å
119G68.2Low61.4Low37 Ų37133.7 Ų133.738%0.38168%0.677SS.*  trans-55.7149.3-171.400000112.8A117 K121A117-G119 PolarHBondContact O-N 3.1Å; G119-K121 PolarHBondContact O-N 3.14Å
120T70.4Confident61.7Low151 Ų151136.2 Ų136.293%0.92668%0.681SS**SBendtrans-71.7-10.7-178.754.10000113.9
121K77.2Confident62.1Low153 Ų153132.7 Ų132.767%0.66567%0.672SS**SBendtrans-90.6126.7-177.7-65.7-179.8-178.1176.20110.5G119 K123 M124G119-K121 PolarHBondContact O-N 3.14Å; K121-K123 PolarHBondContact O-N 3.32Å; K121-K123 VanDerWaalsContact O-N 3.13Å; K121-M124 HydrophobicContact CB-CG 4.32Å; K121-M124 PolarHBondContact O-N 2.98Å
122K70.8Confident62.8Low159 Ų159131.1 Ų131.169%0.69167%0.668SS**Hα-helixtrans-51.7-37.4174.5-165.3177.5179.1-174.10112M124 F125 Y126K122-M124 VanDerWaalsContact C-N 3.32Å; K122-M124 PolarHBondContact O-N 3.22Å; K122-F125 PolarHBondContact O-N 3.01Å; K122-F125 VanDerWaalsContact O-N 3.1Å; K122-Y126 HydrophobicContact CD-CE2 4.17Å; K122-Y126 HydrophobicContact CG-CD2 3.65Å; K122-Y126 HydrophobicContact CG-CE2 3.54Å; K122-Y126 VanDerWaalsContact O-CD2 3.29Å; K122-Y126 WeakPolarHBondContact O-CD2 3.46Å; K122-Y126 PolarHBondContact O-N 2.91Å
123K72.6Confident62.6Low176 Ų176127.1 Ų127.177%0.76565%0.651SS**Hα-helixtrans-57.2-39177.5-67.8-173.5178-174.50113K121 F125 Y126 N127K121-K123 PolarHBondContact O-N 3.32Å; K121-K123 VanDerWaalsContact O-N 3.13Å; K123-F125 VanDerWaalsContact C-N 3.32Å; K123-F125 PolarHBondContact O-N 3.02Å; K123-Y126 PolarHBondContact O-N 3.48Å; K123-N127 WeakPolarHBondContact O-CB 3.37Å; K123-N127 PolarHBondContact O-N 2.88Å
124M69.9Low62.4Low134 Ų134132 Ų13266%0.6666%0.661SS**Hα-helixtrans-70.8-25.6178.6-60.6-66.7-122.400113.2K121 K122K121-M124 HydrophobicContact CB-CG 4.32Å; K121-M124 PolarHBondContact O-N 2.98Å; K122-M124 VanDerWaalsContact C-N 3.32Å; K122-M124 PolarHBondContact O-N 3.22Å
125F65.6Low62.3Low99 Ų99131.9 Ų131.943%0.43467%0.672SS.*Hα-helixtrans-76.7-32.9177.3-175.8-79.2000112.2W118 K122 K123W118-F125 AromaticContact CD1-CD2 3.95Å; W118-F125 HydrophobicContact CD2-CD2 4.41Å; W118-F125 AromaticContact CE2-CD2 3.35Å; W118-F125 AromaticContact CE2-CE2 3.87Å; W118-F125 AromaticContact CZ2-CD2 3.48Å; W118-F125 HydrophobicContact CZ2-CD2 3.48Å; W118-F125 VanDerWaalsContact CZ2-CD2 3.48Å; W118-F125 AromaticContact CZ2-CE2 3.69Å; W118-F125 HydrophobicContact CZ2-CE2 3.69Å; W118-F125 HydrophobicContact CZ2-CG 4.11Å; W118-F125 AromaticContact NE1-CD2 3.09Å; W118-F125 AromaticContact NE1-CG 3.69Å; K122-F125 PolarHBondContact O-N 3.01Å; K122-F125 VanDerWaalsContact O-N 3.1Å; K123-F125 VanDerWaalsContact C-N 3.32Å; K123-F125 PolarHBondContact O-N 3.02Å
126Y67.6Low62.6Low154 Ų154127.7 Ų127.760%0.60465%0.648SS**Hα-helixtrans-103.7-7.7-177-67.6-82.9000113.8K122 K123 T128K122-Y126 HydrophobicContact CD-CE2 4.17Å; K122-Y126 HydrophobicContact CG-CD2 3.65Å; K122-Y126 HydrophobicContact CG-CE2 3.54Å; K122-Y126 VanDerWaalsContact O-CD2 3.29Å; K122-Y126 WeakPolarHBondContact O-CD2 3.46Å; K122-Y126 PolarHBondContact O-N 2.91Å; K123-Y126 PolarHBondContact O-N 3.48Å; Y126-T128 PolarHBondContact O-N 2.96Å
127N58.5Low62.7Low121 Ų121124.3 Ų124.365%0.64764%0.636SS**  trans-83.268.8171.5-15638.4000108.5K123K123-N127 WeakPolarHBondContact O-CB 3.37Å; K123-N127 PolarHBondContact O-N 2.88Å
128T56.6Low62.7Low70 Ų70127.7 Ų127.743%0.42964%0.642SS.*  trans-89.1127.6171.360.30000108.1Y126 Y130Y126-T128 PolarHBondContact O-N 2.96Å; T128-Y130 VanDerWaalsContact CB-CD2 3.41Å; T128-Y130 HydrophobicContact CG2-CD2 4.12Å; T128-Y130 HydrophobicContact CG2-CE2 4.23Å; T128-Y130 PolarHBondContact O-N 3.26Å
129D57Low63.4Low135 Ų135126.9 Ų126.972%0.72265%0.646SS**THydrogen-bonded Turntrans-67.99.6179-73.3-41.4000114.5V131D129-V131 PolarHBondContact O-N 2.84Å
130Y54.2Low63.5Low203 Ų203130 Ų13080%0.79665%0.65SS**THydrogen-bonded Turntrans-64-5.7176.3-63.3-61.6000114.9T128 V132T128-Y130 VanDerWaalsContact CB-CD2 3.41Å; T128-Y130 HydrophobicContact CG2-CD2 4.12Å; T128-Y130 HydrophobicContact CG2-CE2 4.23Å; T128-Y130 PolarHBondContact O-N 3.26Å; Y130-V132 PolarHBondContact O-N 3.39Å; Y130-V132 VanDerWaalsContact O-N 3.12Å
131V53.8Low63.3Low111 Ų111126.2 Ų126.267%0.67362%0.624SS**SBendtrans-82.788.7169.3-174.10000108.1D129 T133D129-V131 PolarHBondContact O-N 2.84Å; V131-T133 VanDerWaalsContact C-N 3.29Å; V131-T133 PolarHBondContact O-N 3.4Å
132V57Low63.2Low124 Ų124122 Ų12275%0.75261%0.609SS**  trans-56.994.2167.4179.40000108.2Y130 K134Y130-V132 PolarHBondContact O-N 3.39Å; Y130-V132 VanDerWaalsContact O-N 3.12Å; V132-K134 PolarHBondContact O-N 3.16Å
133T49.3Very low63.6Low84 Ų84116.3 Ų116.352%0.51559%0.592SS.*  trans-68.3100.8166.551.50000105.9V131 G135V131-T133 VanDerWaalsContact C-N 3.29Å; V131-T133 PolarHBondContact O-N 3.4Å; T133-G135 PolarHBondContact O-N 3.37Å
134K53.2Low63.8Low210 Ų210111.1 Ų111.191%0.91357%0.57SS**THydrogen-bonded Turntrans-54.397.1178.5-75179.3176.11760109.4V132V132-K134 PolarHBondContact O-N 3.16Å
135G56.9Low64.1Low75 Ų75110.3 Ų110.377%0.77357%0.565SS**THydrogen-bonded Turntrans148.67.4175.200000119.2T133T133-G135 PolarHBondContact O-N 3.37Å
136R64.2Low64.9Low107 Ų107111.4 Ų111.440%0.40457%0.571SS.*  trans-67.8142.1173.4-66.7-167.5-170.9-159.73111.7L141 E144R136-L141 HydrophobicContact CB-CD2 4.22Å; R136-L141 HydrophobicContact CB-CG 4.39Å; R136-E144 IonicContact CZ-OE1 3.73Å; R136-E144 IonicContact NH1-OE1 2.63Å; R136-E144 PolarHBondContact NH1-OE1 3.36Å; R136-E144 IonicContact NH1-OE2 3.86Å
137P67.7Low65.6Low67 Ų67110.1 Ų110.144%0.43557%0.571SS.*  trans-64.5145.5175.629.1-34.8000110.8E139 E140 L141P137-E139 PolarHBondContact O-N 3.4Å; P137-E139 VanDerWaalsContact O-N 3.1Å; P137-E140 WeakPolarHBondContact CD-OE2 3.45Å; P137-E140 HydrophobicContact CG-CB 4.11Å; P137-E140 VanDerWaalsContact CG-CD 3.41Å; P137-E140 HydrophobicContact CG-CG 3.77Å; P137-E140 PolarHBondContact O-N 2.7Å; P137-L141 PolarHBondContact O-N 3.42Å
138Q67.9Low66.7Low128 Ų128110.7 Ų110.760%0.59857%0.57SS**Hα-helixtrans-53.5-34.8-176.4-169.369.63900113E140 L141 D142Q138-E140 VanDerWaalsContact C-N 3.32Å; Q138-E140 PolarHBondContact O-N 2.92Å; Q138-L141 PolarHBondContact O-N 2.98Å; Q138-D142 PolarHBondContact NE2-OD1 3.43Å; Q138-D142 VanDerWaalsContact NE2-OD1 3.09Å; Q138-D142 PolarHBondContact O-N 3.49Å
139E71.8Confident67.9Low167 Ų167112 Ų11278%0.7857%0.571SS**Hα-helixtrans-66.5-29.8179.8-64.8176.3177.400113.4P137 A143P137-E139 PolarHBondContact O-N 3.4Å; P137-E139 VanDerWaalsContact O-N 3.1Å; E139-A143 WeakPolarHBondContact O-CB 3.26Å; E139-A143 PolarHBondContact O-N 2.89Å
140E72.3Confident69.4Low101 Ų101111.6 Ų111.647%0.47256%0.564SS.*Hα-helixtrans-77.8-35175.4-73.4173.2-168.400111P137 Q138 A143 E144P137-E140 WeakPolarHBondContact CD-OE2 3.45Å; P137-E140 HydrophobicContact CG-CB 4.11Å; P137-E140 VanDerWaalsContact CG-CD 3.41Å; P137-E140 HydrophobicContact CG-CG 3.77Å; P137-E140 PolarHBondContact O-N 2.7Å; Q138-E140 VanDerWaalsContact C-N 3.32Å; Q138-E140 PolarHBondContact O-N 2.92Å; E140-A143 PolarHBondContact O-N 2.89Å; E140-E144 WeakPolarHBondContact O-CB 3.24Å; E140-E144 VanDerWaalsContact O-CG 3.28Å; E140-E144 WeakPolarHBondContact O-CG 3.45Å; E140-E144 PolarHBondContact O-N 3.32Å
141L65.8Low70.8Confident72 Ų72108 Ų10838%0.37756%0.555SS.*Hα-helixtrans-66.9-43174.8-63175.4000111.7R136 P137 Q138 A143 E144 E145R136-L141 HydrophobicContact CB-CD2 4.22Å; R136-L141 HydrophobicContact CB-CG 4.39Å; P137-L141 PolarHBondContact O-N 3.42Å; Q138-L141 PolarHBondContact O-N 2.98Å; L141-A143 PolarHBondContact O-N 2.91Å; L141-E144 PolarHBondContact O-N 2.97Å; L141-E145 WeakPolarHBondContact O-CB 3.46Å; L141-E145 PolarHBondContact O-N 2.85Å
142D73.8Confident72.3Confident65 Ų65104.8 Ų104.835%0.34854%0.54SS..Hα-helixtrans-67.5-26.5178.7-62.2-11.6000111.5Q138 Q146Q138-D142 PolarHBondContact NE2-OD1 3.43Å; Q138-D142 VanDerWaalsContact NE2-OD1 3.09Å; Q138-D142 PolarHBondContact O-N 3.49Å; D142-Q146 VanDerWaalsContact O-CG 3.25Å; D142-Q146 WeakPolarHBondContact O-CG 3.5Å; D142-Q146 PolarHBondContact O-N 3.31Å; D142-Q146 PolarHBondContact O-NE2 3.03Å; D142-Q146 VanDerWaalsContact O-NE2 3.12Å
143A79.3Confident73.9Confident40 Ų40103.3 Ų103.333%0.33152%0.524SS..Hα-helixtrans-77.5-44.3174.200000111.9E139 E140 L141 E145 Q146 E147E139-A143 WeakPolarHBondContact O-CB 3.26Å; E139-A143 PolarHBondContact O-N 2.89Å; E140-A143 PolarHBondContact O-N 2.89Å; L141-A143 PolarHBondContact O-N 2.91Å; A143-E145 VanDerWaalsContact C-N 3.33Å; A143-E145 PolarHBondContact O-N 3.4Å; A143-Q146 PolarHBondContact O-N 3.13Å; A143-E147 WeakPolarHBondContact O-CG 3.47Å; A143-E147 PolarHBondContact O-N 3.1Å
144E76.8Confident75.8Confident67 Ų67103.2 Ų103.231%0.31352%0.52SS..Hα-helixtrans-59.9-41.9174.5-73.2166.6-165.700111.4R136 E140 L141 Q146 E147 E148R136-E144 IonicContact CZ-OE1 3.73Å; R136-E144 IonicContact NH1-OE1 2.63Å; R136-E144 PolarHBondContact NH1-OE1 3.36Å; R136-E144 IonicContact NH1-OE2 3.86Å; E140-E144 WeakPolarHBondContact O-CB 3.24Å; E140-E144 VanDerWaalsContact O-CG 3.28Å; E140-E144 WeakPolarHBondContact O-CG 3.45Å; E140-E144 PolarHBondContact O-N 3.32Å; L141-E144 PolarHBondContact O-N 2.97Å; E144-Q146 VanDerWaalsContact C-N 3.31Å; E144-Q146 PolarHBondContact O-N 3.25Å; E144-E147 PolarHBondContact O-N 3.09Å; E144-E148 WeakPolarHBondContact O-CG 3.28Å; E144-E148 PolarHBondContact O-N 3.43Å
145E77.4Confident77.3Confident116 Ų11698.1 Ų98.154%0.54250%0.502SS..Hα-helixtrans-65.6-33.9178-166.9170.1-159.500112.2L141 A143 E149L141-E145 WeakPolarHBondContact O-CB 3.46Å; L141-E145 PolarHBondContact O-N 2.85Å; A143-E145 VanDerWaalsContact C-N 3.33Å; A143-E145 PolarHBondContact O-N 3.4Å; E145-E149 WeakPolarHBondContact O-CB 3.46Å; E145-E149 WeakPolarHBondContact O-CG 3.31Å; E145-E149 PolarHBondContact O-N 3.22Å
146Q82.8Confident78.7Confident122 Ų122100.8 Ų100.857%0.5749%0.494SS*.Hα-helixtrans-70-40.2174.3-74.9170.141.800112.2D142 A143 E144 E149 E150D142-Q146 VanDerWaalsContact O-CG 3.25Å; D142-Q146 WeakPolarHBondContact O-CG 3.5Å; D142-Q146 PolarHBondContact O-N 3.31Å; D142-Q146 PolarHBondContact O-NE2 3.03Å; D142-Q146 VanDerWaalsContact O-NE2 3.12Å; A143-Q146 PolarHBondContact O-N 3.13Å; E144-Q146 VanDerWaalsContact C-N 3.31Å; E144-Q146 PolarHBondContact O-N 3.25Å; Q146-E149 WeakPolarHBondContact O-CB 3.3Å; Q146-E149 PolarHBondContact O-N 3.34Å; Q146-E150 WeakPolarHBondContact O-CG 3.42Å; Q146-E150 PolarHBondContact O-N 3.05Å
147E81.3Confident79.8Confident127 Ų127101.6 Ų101.659%0.59350%0.5SS*.Hα-helixtrans-65-42.6176.3-69.9177.3-175.600110.8A143 E144 E149 E150 E151A143-E147 WeakPolarHBondContact O-CG 3.47Å; A143-E147 PolarHBondContact O-N 3.1Å; E144-E147 PolarHBondContact O-N 3.09Å; E147-E149 PolarHBondContact O-N 2.94Å; E147-E150 PolarHBondContact O-N 3.32Å; E147-E151 WeakPolarHBondContact O-CG 3.05Å; E147-E151 PolarHBondContact O-N 3.3Å
148E81.7Confident80.6Confident134 Ų134104.4 Ų104.463%0.62650%0.502SS*.Hα-helixtrans-62.4-39.6173-72.1-174.9-178.100112.5E144 E151 A152E144-E148 WeakPolarHBondContact O-CG 3.28Å; E144-E148 PolarHBondContact O-N 3.43Å; E148-E151 PolarHBondContact O-N 2.87Å; E148-A152 VanDerWaalsContact O-CB 3.26Å; E148-A152 WeakPolarHBondContact O-CB 3.37Å; E148-A152 PolarHBondContact O-N 3.35Å
149E82.9Confident81.3Confident98 Ų98103.4 Ų103.446%0.45850%0.5SS..Hα-helixtrans-63.3-40.2174.9-86.2-164.8-161.600112.7E145 Q146 E147 K153E145-E149 WeakPolarHBondContact O-CB 3.46Å; E145-E149 WeakPolarHBondContact O-CG 3.31Å; E145-E149 PolarHBondContact O-N 3.22Å; Q146-E149 WeakPolarHBondContact O-CB 3.3Å; Q146-E149 PolarHBondContact O-N 3.34Å; E147-E149 PolarHBondContact O-N 2.94Å; E149-K153 WeakPolarHBondContact O-CB 3.33Å; E149-K153 WeakPolarHBondContact O-CD 3.45Å; E149-K153 WeakPolarHBondContact O-CG 3.42Å; E149-K153 PolarHBondContact O-N 3.41Å; E149-K153 IonicContact OE2-NZ 2.86Å; E149-K153 PolarHBondContact OE2-NZ 3.4Å
150E87.6Confident81.8Confident125 Ų12597.6 Ų97.658%0.58448%0.481SS*.Hα-helixtrans-69.3-42.1178.5-73.4-170171.400111.5Q146 E147 K153 N154Q146-E150 WeakPolarHBondContact O-CG 3.42Å; Q146-E150 PolarHBondContact O-N 3.05Å; E147-E150 PolarHBondContact O-N 3.32Å; E150-K153 PolarHBondContact O-N 2.74Å; E150-N154 WeakPolarHBondContact O-CB 3.44Å; E150-N154 PolarHBondContact O-N 3.26Å; E150-N154 PolarHBondContact O-ND2 3.21Å
151E83.6Confident82.3Confident128 Ų128100.4 Ų100.460%0.59849%0.494SS*.Hα-helixtrans-62-43.8173-71.9-173.1176.700111.5E147 E148 K153 N154 I155E147-E151 WeakPolarHBondContact O-CG 3.05Å; E147-E151 PolarHBondContact O-N 3.3Å; E148-E151 PolarHBondContact O-N 2.87Å; E151-K153 VanDerWaalsContact C-N 3.33Å; E151-K153 PolarHBondContact O-N 3.33Å; E151-N154 PolarHBondContact O-N 2.8Å; E151-N154 VanDerWaalsContact O-N 3.13Å; E151-I155 VanDerWaalsContact O-CG1 3.28Å; E151-I155 WeakPolarHBondContact O-CG1 3.23Å; E151-I155 PolarHBondContact O-N 2.73Å
152A85.4Confident83Confident44 Ų44102.8 Ų102.836%0.36451%0.507SS..Hα-helixtrans-60.4-42.3174.800000111.8E148 N154 I155 Q156E148-A152 VanDerWaalsContact O-CB 3.26Å; E148-A152 WeakPolarHBondContact O-CB 3.37Å; E148-A152 PolarHBondContact O-N 3.35Å; A152-N154 VanDerWaalsContact C-N 3.32Å; A152-N154 PolarHBondContact O-N 2.86Å; A152-I155 PolarHBondContact O-N 3.17Å; A152-Q156 WeakPolarHBondContact O-CB 3.3Å; A152-Q156 VanDerWaalsContact O-CG 3.31Å; A152-Q156 WeakPolarHBondContact O-CG 3.37Å; A152-Q156 PolarHBondContact O-N 2.85Å
153K91.3Very high83.5Confident93 Ų93103.7 Ų103.740%0.40451%0.512SS..Hα-helixtrans-63.5-38.4174.8-75.1162.8-167.9149.40111.3E149 E150 E151 Q156 K157E149-K153 WeakPolarHBondContact O-CB 3.33Å; E149-K153 WeakPolarHBondContact O-CD 3.45Å; E149-K153 WeakPolarHBondContact O-CG 3.42Å; E149-K153 PolarHBondContact O-N 3.41Å; E149-K153 IonicContact OE2-NZ 2.86Å; E149-K153 PolarHBondContact OE2-NZ 3.4Å; E150-K153 PolarHBondContact O-N 2.74Å; E151-K153 VanDerWaalsContact C-N 3.33Å; E151-K153 PolarHBondContact O-N 3.33Å; K153-Q156 PolarHBondContact O-N 2.79Å; K153-K157 WeakPolarHBondContact O-CB 3.41Å; K153-K157 VanDerWaalsContact O-CG 3.28Å; K153-K157 WeakPolarHBondContact O-CG 3.46Å; K153-K157 PolarHBondContact O-N 3.37Å
154N89Confident83.1Confident81 Ų81104.2 Ų104.243%0.43351%0.513SS..Hα-helixtrans-70.4-38.7178.3-69.1-15.5000111.9E150 E151 A152 K157 R158E150-N154 WeakPolarHBondContact O-CB 3.44Å; E150-N154 PolarHBondContact O-N 3.26Å; E150-N154 PolarHBondContact O-ND2 3.21Å; E151-N154 PolarHBondContact O-N 2.8Å; E151-N154 VanDerWaalsContact O-N 3.13Å; A152-N154 VanDerWaalsContact C-N 3.32Å; A152-N154 PolarHBondContact O-N 2.86Å; N154-K157 PolarHBondContact O-N 3.09Å; N154-R158 WeakPolarHBondContact O-CB 3.36Å; N154-R158 PolarHBondContact O-N 3.25Å
155I83.6Confident82.6Confident103 Ų103109.7 Ų109.753%0.52854%0.539SS..Hα-helixtrans-62.8-44.5172.8-67.2163.3000110.6E151 A152 R158 L159E151-I155 VanDerWaalsContact O-CG1 3.28Å; E151-I155 WeakPolarHBondContact O-CG1 3.23Å; E151-I155 PolarHBondContact O-N 2.73Å; A152-I155 PolarHBondContact O-N 3.17Å; I155-R158 PolarHBondContact O-N 3.1Å; I155-L159 HydrophobicContact CG2-CD1 4.02Å; I155-L159 WeakPolarHBondContact O-CG 3.18Å; I155-L159 PolarHBondContact O-N 3.35Å
156Q85.9Confident82.1Confident132 Ų132112.1 Ų112.162%0.61755%0.55SS*.Hα-helixtrans-63-44.7176.9-74177.716.400112.1A152 K153 R158 L159 A160A152-Q156 WeakPolarHBondContact O-CB 3.3Å; A152-Q156 VanDerWaalsContact O-CG 3.31Å; A152-Q156 WeakPolarHBondContact O-CG 3.37Å; A152-Q156 PolarHBondContact O-N 2.85Å; K153-Q156 PolarHBondContact O-N 2.79Å; Q156-R158 VanDerWaalsContact C-N 3.34Å; Q156-R158 PolarHBondContact O-N 2.84Å; Q156-L159 PolarHBondContact O-N 3.41Å; Q156-A160 WeakPolarHBondContact O-CB 3.29Å; Q156-A160 PolarHBondContact O-N 3.32Å
157K87.9Confident81.5Confident123 Ų123111 Ų11154%0.53555%0.548SS..Hα-helixtrans-60-44175.1-75.6171.4-174.1169.50111.4K153 N154 L159 A160 E161K153-K157 WeakPolarHBondContact O-CB 3.41Å; K153-K157 VanDerWaalsContact O-CG 3.28Å; K153-K157 WeakPolarHBondContact O-CG 3.46Å; K153-K157 PolarHBondContact O-N 3.37Å; N154-K157 PolarHBondContact O-N 3.09Å; K157-L159 PolarHBondContact O-N 2.93Å; K157-A160 WeakPolarHBondContact O-CB 3.29Å; K157-A160 PolarHBondContact O-N 3.38Å; K157-E161 WeakPolarHBondContact O-CG 3.48Å; K157-E161 PolarHBondContact O-N 2.64Å
158R85.1Confident80.9Confident126 Ų126110.6 Ų110.648%0.47554%0.542SS..Hα-helixtrans-63.6-40.6177.2-173.8-175.5177115.73.8112.5N154 I155 Q156 A160 E161 N162N154-R158 WeakPolarHBondContact O-CB 3.36Å; N154-R158 PolarHBondContact O-N 3.25Å; I155-R158 PolarHBondContact O-N 3.1Å; Q156-R158 VanDerWaalsContact C-N 3.34Å; Q156-R158 PolarHBondContact O-N 2.84Å; R158-A160 VanDerWaalsContact C-N 3.33Å; R158-E161 PolarHBondContact O-N 2.91Å; R158-N162 PolarHBondContact O-N 3.42Å; R158-N162 PolarHBondContact O-ND2 2.91Å
159L81.9Confident79.5Confident107 Ų107109.6 Ų109.656%0.5654%0.541SS*.Hα-helixtrans-64.1-40.9174.2-74.7167.3000111.1I155 Q156 K157 N162 L163I155-L159 HydrophobicContact CG2-CD1 4.02Å; I155-L159 WeakPolarHBondContact O-CG 3.18Å; I155-L159 PolarHBondContact O-N 3.35Å; Q156-L159 PolarHBondContact O-N 3.41Å; K157-L159 PolarHBondContact O-N 2.93Å; L159-N162 PolarHBondContact O-N 3.19Å; L159-L163 PolarHBondContact O-N 2.95Å
160A83Confident78.3Confident45 Ų45110.7 Ų110.737%0.37255%0.549SS..Hα-helixtrans-67.2-37177.400000112.9Q156 K157 R158 N162 L163Q156-A160 WeakPolarHBondContact O-CB 3.29Å; Q156-A160 PolarHBondContact O-N 3.32Å; K157-A160 WeakPolarHBondContact O-CB 3.29Å; K157-A160 PolarHBondContact O-N 3.38Å; R158-A160 VanDerWaalsContact C-N 3.33Å; A160-N162 VanDerWaalsContact C-N 3.35Å; A160-L163 PolarHBondContact O-N 3.37Å
161E83.4Confident76.8Confident160 Ų160110.2 Ų110.275%0.74855%0.551SS**Hα-helixtrans-68.5-31.7176.4-76.5173.8-174.300113K157 R158 L163K157-E161 WeakPolarHBondContact O-CG 3.48Å; K157-E161 PolarHBondContact O-N 2.64Å; R158-E161 PolarHBondContact O-N 2.91Å; E161-L163 VanDerWaalsContact C-N 3.33Å
162N80.3Confident75.2Confident123 Ų123110.7 Ų110.766%0.65855%0.551SS**Hα-helixtrans-79.2-16.3175.3-71.5-55.7000113R158 L159 A160R158-N162 PolarHBondContact O-N 3.42Å; R158-N162 PolarHBondContact O-ND2 2.91Å; L159-N162 PolarHBondContact O-N 3.19Å; A160-N162 VanDerWaalsContact C-N 3.35Å
163L82.6Confident73.5Confident84 Ų84114.5 Ų114.544%0.4456%0.564SS.*SBendtrans-87117.6172.4-76.1167.9000109.1L159 A160 E161 D167 Y168L159-L163 PolarHBondContact O-N 2.95Å; A160-L163 PolarHBondContact O-N 3.37Å; E161-L163 VanDerWaalsContact C-N 3.33Å; L163-D167 HydrophobicContact CD2-CB 3.89Å; L163-Y168 HydrophobicContact CB-CE2 3.88Å
164S72.4Confident71.4Confident50 Ų50116.3 Ų116.335%0.3557%0.574SS.*  trans-75.8157.9175.469.70000110.6E166 D167 Y168S164-E166 PolarHBondContact O-N 3.15Å; S164-E166 PolarHBondContact OG-N 2.95Å; S164-D167 PolarHBondContact N-OD2 2.94Å; S164-D167 VanDerWaalsContact N-OD2 3.16Å; S164-D167 PolarHBondContact O-N 3.25Å; S164-D167 PolarHBondContact OG-OD2 3.13Å; S164-Y168 VanDerWaalsContact O-CD2 3.25Å; S164-Y168 WeakPolarHBondContact O-CD2 3.3Å
165E66.6Low69.5Low183 Ų183119.1 Ų119.186%0.85559%0.585SS**THydrogen-bonded Turntrans-56.8-14.4172.8-66.7-179.7-177.700113.3
166E65.7Low67.8Low166 Ų166120.7 Ų120.778%0.77659%0.588SS**THydrogen-bonded Turntrans-83.3-23.4177.1-54.3-176.2168.700112.8S164S164-E166 PolarHBondContact O-N 3.15Å; S164-E166 PolarHBondContact OG-N 2.95Å
167D71.6Confident66Low99 Ų99118 Ų11853%0.52959%0.588SS.*THydrogen-bonded Turntrans-86.1-17.4177.3-60.3-57.8000112.5L163 S164 D169L163-D167 HydrophobicContact CD2-CB 3.89Å; S164-D167 PolarHBondContact N-OD2 2.94Å; S164-D167 VanDerWaalsContact N-OD2 3.16Å; S164-D167 PolarHBondContact O-N 3.25Å; S164-D167 PolarHBondContact OG-OD2 3.13Å; D167-D169 PolarHBondContact O-N 3.08Å
168Y67.7Low63.9Low119 Ų119117.7 Ų117.747%0.46760%0.596SS.*SBendtrans-75.874.7164.5-63.1-86.5000108.2L163 S164 L170L163-Y168 HydrophobicContact CB-CE2 3.88Å; S164-Y168 VanDerWaalsContact O-CD2 3.25Å; S164-Y168 WeakPolarHBondContact O-CD2 3.3Å; Y168-L170 PolarHBondContact O-N 3.42Å
169D53Low61.9Low113 Ų113119.5 Ų119.560%0.60461%0.61SS**  trans-65.175.3170.2-93.1-32.5000109.6D167 N171 F172D167-D169 PolarHBondContact O-N 3.08Å; D169-N171 PolarHBondContact O-N 3.26Å; D169-F172 PolarHBondContact O-N 3.35Å
170L56.8Low60.1Low120 Ų120122.3 Ų122.363%0.62862%0.621SS**Hα-helixtrans-56.7-12.2169.4-75.8163.8000111.9Y168 Q174Y168-L170 PolarHBondContact O-N 3.42Å; L170-Q174 VanDerWaalsContact O-CB 3.25Å; L170-Q174 WeakPolarHBondContact O-CB 3.35Å; L170-Q174 PolarHBondContact O-N 3.01Å
171N56.8Low57.7Low116 Ų116129.8 Ų129.862%0.6265%0.645SS**Hα-helixtrans-65.1-37.8169.7-77.811.4000112.6D169 Q174 E175D169-N171 PolarHBondContact O-N 3.26Å; N171-Q174 PolarHBondContact O-N 3.18Å; N171-E175 PolarHBondContact O-N 3.41Å
172F50.4Low55.3Low138 Ų138129.9 Ų129.961%0.60565%0.651SS**Hα-helixtrans-68.7-37.3177.5-172-103.1000111.3D169 F176D169-F172 PolarHBondContact O-N 3.35Å; F172-F176 HydrophobicContact CD1-CD2 4.34Å; F172-F176 HydrophobicContact CD1-CE2 4.44Å; F172-F176 HydrophobicContact CE1-CD2 4.02Å; F172-F176 AromaticContact CE1-CE2 3.72Å; F172-F176 HydrophobicContact CE1-CE2 3.72Å; F172-F176 AromaticContact CE2-CE2 3.95Å; F172-F176 HydrophobicContact CE2-CE2 3.95Å; F172-F176 HydrophobicContact CZ-CD2 4.13Å; F172-F176 AromaticContact CZ-CE2 3.45Å; F172-F176 HydrophobicContact CZ-CE2 3.45Å; F172-F176 VanDerWaalsContact CZ-CE2 3.45Å; F172-F176 HydrophobicContact CZ-CZ 4.37Å; F172-F176 WeakPolarHBondContact O-CD2 3.27Å; F172-F176 PolarHBondContact O-N 3.02Å
173L47.7Very low53.3Low124 Ų124132.5 Ų132.565%0.64966%0.659SS**Hα-helixtrans-71.8-31.6174.5-111154.1000112.7A177L173-A177 WeakPolarHBondContact O-CB 3.42Å; L173-A177 PolarHBondContact O-N 3.18Å
174Q47.8Very low51.4Low130 Ų130135.7 Ų135.761%0.60768%0.676SS**Hα-helixtrans-73.2-30.3176.1-171.8160.616.400112.5L170 N171 V178L170-Q174 VanDerWaalsContact O-CB 3.25Å; L170-Q174 WeakPolarHBondContact O-CB 3.35Å; L170-Q174 PolarHBondContact O-N 3.01Å; N171-Q174 PolarHBondContact O-N 3.18Å; Q174-V178 VanDerWaalsContact O-CG2 3.24Å; Q174-V178 WeakPolarHBondContact O-CG2 3.49Å; Q174-V178 PolarHBondContact O-N 3.49Å
175E50.3Low49.6Very low140 Ų140142.9 Ų142.965%0.65470%0.701SS**Hα-helixtrans-73.2-37.4175.6-152.9155.5-152.800111.6N171 V178N171-E175 PolarHBondContact O-N 3.41Å; E175-V178 PolarHBondContact O-N 2.92Å
176F47.3Very low48.2Very low136 Ų136139.6 Ų139.660%0.59670%0.696SS**Hα-helixtrans-71.1-28.9171.2-90.7-87.8000114.1F172 V178F172-F176 HydrophobicContact CD1-CD2 4.34Å; F172-F176 HydrophobicContact CD1-CE2 4.44Å; F172-F176 HydrophobicContact CE1-CD2 4.02Å; F172-F176 AromaticContact CE1-CE2 3.72Å; F172-F176 HydrophobicContact CE1-CE2 3.72Å; F172-F176 AromaticContact CE2-CE2 3.95Å; F172-F176 HydrophobicContact CE2-CE2 3.95Å; F172-F176 HydrophobicContact CZ-CD2 4.13Å; F172-F176 AromaticContact CZ-CE2 3.45Å; F172-F176 HydrophobicContact CZ-CE2 3.45Å; F172-F176 VanDerWaalsContact CZ-CE2 3.45Å; F172-F176 HydrophobicContact CZ-CZ 4.37Å; F172-F176 WeakPolarHBondContact O-CD2 3.27Å; F172-F176 PolarHBondContact O-N 3.02Å; F176-V178 VanDerWaalsContact C-N 3.3Å
177A47.2Very low47Very low76 Ų76138.4 Ų138.463%0.62870%0.699SS**THydrogen-bonded Turntrans-78.4-12.2177.200000113.7L173L173-A177 WeakPolarHBondContact O-CB 3.42Å; L173-A177 PolarHBondContact O-N 3.18Å
178V43.7Very low45.4Very low116 Ų116142.4 Ų142.470%0.70372%0.715SS**THydrogen-bonded Turntrans-90.7-18.5176.7170.50000112.1Q174 E175 F176Q174-V178 VanDerWaalsContact O-CG2 3.24Å; Q174-V178 WeakPolarHBondContact O-CG2 3.49Å; Q174-V178 PolarHBondContact O-N 3.49Å; E175-V178 PolarHBondContact O-N 2.92Å; F176-V178 VanDerWaalsContact C-N 3.3Å
179E43.4Very low44.2Very low164 Ų164145.4 Ų145.477%0.76673%0.731SS**SBendtrans-94.2-3-176.7-71-163.4154.800116
180E44.8Very low43.4Very low166 Ų166148.2 Ų148.278%0.77674%0.74SS**SBendtrans-130.689.6169.4-71.6-163.216900111.6
181K33.1Very low42.7Very low202 Ų202151 Ų15188%0.87875%0.75SS**  trans173104.7134.9-92.9156.4-168.9177.40111.9
182D32Very low42.5Very low163 Ų163153.4 Ų153.487%0.87276%0.755SS**  trans-108.9128.4143.7-85.8-36.3000109.3
183E39.4Very low42.3Very low178 Ų178154.3 Ų154.383%0.83276%0.764SS**SBendtrans87.1121.6159.1-52.6-163.4161.700121.9
184D41.6Very low42.8Very low151 Ų151153 Ų15381%0.80776%0.761SS**  trans76.981.3163.6-60.3-23.7000121.4
185K34.6Very low43.6Very low200 Ų200153.8 Ų153.887%0.8776%0.763SS**  trans-167.6155137-104.6166.3-168.6-178.70111.7
186P36.7Very low44.4Very low115 Ų115152.2 Ų152.275%0.74776%0.759SS**  trans-72.9152.6-161.332.1-34.6000112.4E188P186-E188 PolarHBondContact O-N 3.46Å
187V41.3Very low45.3Very low140 Ų140149.6 Ų149.685%0.84875%0.75SS**  trans-45.193.3-178.1-1750000112.8
188E38.9Very low46.7Very low183 Ų183155.3 Ų155.386%0.85576%0.761SS**  trans-84.8122152.5-73.8-170.6172.200107.5P186 Q190P186-E188 PolarHBondContact O-N 3.46Å; E188-Q190 PolarHBondContact O-N 2.89Å
189K42.6Very low48.3Very low183 Ų183158.1 Ų158.180%0.79677%0.767SS**  trans-56113.7-176.2-65166-178.1171.30108.3E191K189-E191 VanDerWaalsContact C-N 3.3Å; K189-E191 PolarHBondContact O-N 2.99Å
190Q34.3Very low49.5Very low171 Ų171153 Ų15380%0.79974%0.744SS**  trans-57.7101.1157.6-68.6178.6-10.900106.8E188 K192E188-Q190 PolarHBondContact O-N 2.89Å; Q190-K192 PolarHBondContact O-N 3.4Å
191E42.9Very low51.6Low178 Ų178147.4 Ų147.483%0.83272%0.722SS**  trans-67.587.9164.4-68.5-169.7168.300106.5K189 I193K189-E191 VanDerWaalsContact C-N 3.3Å; K189-E191 PolarHBondContact O-N 2.99Å; E191-I193 VanDerWaalsContact C-N 3.34Å; E191-I193 PolarHBondContact O-N 2.84Å
192K51.9Low53.8Low168 Ų168144.5 Ų144.573%0.7372%0.716SS**  trans-53.4107.1161.9-74.9178.3178.21780105.5Q190 V194Q190-K192 PolarHBondContact O-N 3.4Å; K192-V194 VanDerWaalsContact C-N 3.34Å; K192-V194 PolarHBondContact O-N 3.04Å
193I46.7Very low56.2Low156 Ų156144.8 Ų144.880%0.871%0.709SS**  trans-55.4106.3169.8-60.6169.7000105.4E191 K195E191-I193 VanDerWaalsContact C-N 3.34Å; E191-I193 PolarHBondContact O-N 2.84Å; I193-K195 VanDerWaalsContact C-N 3.26Å; I193-K195 PolarHBondContact O-N 3.26Å
194V58.9Low58.3Low97 Ų97140.2 Ų140.259%0.58869%0.688SS**  trans-6995.2176.9178.10000104.8K192 D196K192-V194 VanDerWaalsContact C-N 3.34Å; K192-V194 PolarHBondContact O-N 3.04Å; V194-D196 PolarHBondContact O-N 3.35Å
195K63.9Low60.1Low146 Ų146136.3 Ų136.364%0.63566%0.664SS**  trans-51.2114.6170.9-66.8-177.1-179.6-179.30107.4I193 L197I193-K195 VanDerWaalsContact C-N 3.26Å; I193-K195 PolarHBondContact O-N 3.26Å; K195-L197 PolarHBondContact O-N 3.11Å
196D66.5Low62.3Low107 Ų107131.3 Ų131.357%0.57265%0.645SS**  trans-71.790.8-174-91-33000109.9V194 K198 Q199V194-D196 PolarHBondContact O-N 3.35Å; D196-K198 PolarHBondContact O-N 3.21Å; D196-Q199 PolarHBondContact O-N 3.46Å
197L66.1Low64.5Low81 Ų81132.6 Ų132.642%0.42464%0.639SS.*THydrogen-bonded Turntrans-60-9179-62.6177.1000113.1K195 K205K195-L197 PolarHBondContact O-N 3.11Å; L197-K205 WeakPolarHBondContact O-CE 3.23Å; L197-K205 PolarHBondContact O-NZ 3.15Å
198K77.3Confident66.3Low197 Ų197128.1 Ų128.186%0.85761%0.61SS**THydrogen-bonded Turntrans-76.1-28.8179.5-69.9-179.8-178.3173.70112.4D196D196-K198 PolarHBondContact O-N 3.21Å
199Q78.3Confident68.2Low174 Ų174122 Ų12281%0.81358%0.582SS**THydrogen-bonded Turntrans-93.6-17-173.9-67178.6-12.600114.2D196D196-Q199 PolarHBondContact O-N 3.46Å
200M68.7Low70Confident58 Ų58119.3 Ų119.329%0.28657%0.571SS.*SBendtrans-73.5146.3179-58.3-167.187.600113E204 K205 L208M200-E204 WeakPolarHBondContact CA-OE2 2.91Å; M200-E204 HydrophobicContact CB-CB 4.28Å; M200-E204 WeakPolarHBondContact CB-OE2 3.34Å; M200-E204 HydrophobicContact CE-CB 3.83Å; M200-E204 HydrophobicContact CE-CG 4.32Å; M200-K205 HydrophobicContact CB-CG 4.22Å; M200-K205 WeakPolarHBondContact O-CE 3.49Å; M200-K205 PolarHBondContact O-NZ 3.27Å; M200-L208 HydrophobicContact CE-CD1 3.84Å; M200-L208 HydrophobicContact SD-CD1 3.56Å; M200-L208 VanDerWaalsContact SD-CD1 3.56Å
201S87.1Confident72.3Confident47 Ų47119.5 Ų119.533%0.32957%0.569SS.*  trans-65.9153.2176.277.50000111.6K203 E204 K205S201-K203 PolarHBondContact O-N 3.4Å; S201-K203 VanDerWaalsContact O-N 3.12Å; S201-E204 VanDerWaalsContact CB-OE1 3.32Å; S201-E204 WeakPolarHBondContact CB-OE1 3.46Å; S201-E204 PolarHBondContact N-OE2 3.19Å; S201-E204 PolarHBondContact O-N 2.87Å; S201-E204 VanDerWaalsContact O-N 3.09Å; S201-E204 WeakPolarHBondContact OG-CG 3.44Å; S201-E204 PolarHBondContact OG-N 2.76Å; S201-E204 PolarHBondContact OG-OE1 3.19Å; S201-K205 WeakPolarHBondContact O-CG 3.45Å; S201-K205 PolarHBondContact O-N 2.75Å
202L79.2Confident73.9Confident142 Ų142117.5 Ų117.574%0.74356%0.559SS**Hα-helixtrans-55.8-31176.1-67.9178.3000111.9M206L202-M206 VanDerWaalsContact O-CG 3.3Å; L202-M206 WeakPolarHBondContact O-CG 3.5Å; L202-M206 PolarHBondContact O-N 3.24Å; L202-M206 VanDerWaalsContact O-N 3.12Å
203K83.7Confident74.9Confident169 Ų169109.8 Ų109.874%0.73553%0.527SS*.Hα-helixtrans-71.3-41.9178-66.8-177.9179.7177.90111.8S201 M206 K207S201-K203 PolarHBondContact O-N 3.4Å; S201-K203 VanDerWaalsContact O-N 3.12Å; K203-M206 PolarHBondContact O-N 3.31Å; K203-K207 WeakPolarHBondContact O-CG 3.3Å; K203-K207 PolarHBondContact O-N 3.37Å
204E82.6Confident76.4Confident82 Ų82106.3 Ų106.338%0.38352%0.515SS..Hα-helixtrans-65.3-40.9174.7-73.6143.4-131.700112M200 S201 M206 K207 L208M200-E204 WeakPolarHBondContact CA-OE2 2.91Å; M200-E204 HydrophobicContact CB-CB 4.28Å; M200-E204 WeakPolarHBondContact CB-OE2 3.34Å; M200-E204 HydrophobicContact CE-CB 3.83Å; M200-E204 HydrophobicContact CE-CG 4.32Å; S201-E204 VanDerWaalsContact CB-OE1 3.32Å; S201-E204 WeakPolarHBondContact CB-OE1 3.46Å; S201-E204 PolarHBondContact N-OE2 3.19Å; S201-E204 PolarHBondContact O-N 2.87Å; S201-E204 VanDerWaalsContact O-N 3.09Å; S201-E204 WeakPolarHBondContact OG-CG 3.44Å; S201-E204 PolarHBondContact OG-N 2.76Å; S201-E204 PolarHBondContact OG-OE1 3.19Å; E204-M206 VanDerWaalsContact C-N 3.34Å; E204-M206 PolarHBondContact O-N 3.16Å; E204-K207 PolarHBondContact O-N 2.98Å; E204-K207 VanDerWaalsContact O-N 3.14Å; E204-L208 PolarHBondContact O-N 2.82Å
205K80.8Confident77.4Confident69 Ų69106.1 Ų106.130%0.351%0.507SS..Hα-helixtrans-59.6-43.6175.4-69.4171.3-178.2171.20112.2L197 M200 S201 K207 L208 L209L197-K205 WeakPolarHBondContact O-CE 3.23Å; L197-K205 PolarHBondContact O-NZ 3.15Å; M200-K205 HydrophobicContact CB-CG 4.22Å; M200-K205 WeakPolarHBondContact O-CE 3.49Å; M200-K205 PolarHBondContact O-NZ 3.27Å; S201-K205 WeakPolarHBondContact O-CG 3.45Å; S201-K205 PolarHBondContact O-N 2.75Å; K205-K207 VanDerWaalsContact C-N 3.35Å; K205-L208 PolarHBondContact O-N 3.28Å; K205-L209 VanDerWaalsContact O-CB 3.32Å; K205-L209 WeakPolarHBondContact O-CB 3.45Å; K205-L209 PolarHBondContact O-N 2.99Å
206M79.6Confident78.3Confident95 Ų9599.7 Ų99.747%0.46848%0.48SS..Hα-helixtrans-68.5-34176-69.7-60.2-68.100112.2L202 K203 E204 K210 L217L202-M206 VanDerWaalsContact O-CG 3.3Å; L202-M206 WeakPolarHBondContact O-CG 3.5Å; L202-M206 PolarHBondContact O-N 3.24Å; L202-M206 VanDerWaalsContact O-N 3.12Å; K203-M206 PolarHBondContact O-N 3.31Å; E204-M206 VanDerWaalsContact C-N 3.34Å; E204-M206 PolarHBondContact O-N 3.16Å; M206-K210 WeakPolarHBondContact O-CB 3.29Å; M206-K210 VanDerWaalsContact O-CG 3.27Å; M206-K210 WeakPolarHBondContact O-CG 3.46Å; M206-K210 PolarHBondContact O-N 3.16Å; M206-L217 HydrophobicContact CE-CD2 4.4Å
207K83.4Confident79.1Confident142 Ų14297.1 Ų97.162%0.61747%0.466SS*.Hα-helixtrans-67.2-43.7173.7-75.6178.2180-176.50111.7K203 E204 K205 K210 K211K203-K207 WeakPolarHBondContact O-CG 3.3Å; K203-K207 PolarHBondContact O-N 3.37Å; E204-K207 PolarHBondContact O-N 2.98Å; E204-K207 VanDerWaalsContact O-N 3.14Å; K205-K207 VanDerWaalsContact C-N 3.35Å; K207-K210 PolarHBondContact O-N 2.89Å; K207-K211 VanDerWaalsContact O-CG 3.3Å; K207-K211 WeakPolarHBondContact O-CG 3.36Å; K207-K211 PolarHBondContact O-N 3.46Å
208L79.3Confident80.1Confident46 Ų4699 Ų9924%0.24147%0.472CS..Hα-helixtrans-61.9-45.6174.2-74.2177000111.2M200 E204 K205 K210 K211 E212M200-L208 HydrophobicContact CE-CD1 3.84Å; M200-L208 HydrophobicContact SD-CD1 3.56Å; M200-L208 VanDerWaalsContact SD-CD1 3.56Å; E204-L208 PolarHBondContact O-N 2.82Å; K205-L208 PolarHBondContact O-N 3.28Å; L208-K210 VanDerWaalsContact C-N 3.33Å; L208-K210 PolarHBondContact O-N 2.9Å; L208-K211 CarbonylContact O-C 3.58Å; L208-K211 WeakPolarHBondContact O-CB 3.14Å; L208-K211 PolarHBondContact O-N 3.46Å; L208-K211 VanDerWaalsContact O-N 3.07Å; L208-E212 WeakPolarHBondContact O-CB 3.43Å; L208-E212 WeakPolarHBondContact O-CG 3.45Å; L208-E212 PolarHBondContact O-N 3.24Å
209L79.4Confident80.5Confident54 Ų5490.9 Ų90.928%0.28344%0.438SS..Hα-helixtrans-64.2-37179.3-168.8138.7000112.6K205 K211 S213 L216 L217K205-L209 VanDerWaalsContact O-CB 3.32Å; K205-L209 WeakPolarHBondContact O-CB 3.45Å; K205-L209 PolarHBondContact O-N 2.99Å; L209-K211 VanDerWaalsContact C-N 3.35Å; L209-S213 CarbonylContact O-C 3.33Å; L209-S213 PolarHBondContact O-N 2.99Å; L209-L216 HydrophobicContact CD1-CD2 3.96Å; L209-L216 HydrophobicContact CD2-CD2 4.08Å; L209-L216 HydrophobicContact CG-CD2 4.09Å; L209-L217 HydrophobicContact CD2-CD2 3.86Å; L209-L217 HydrophobicContact CD2-CG 4.12Å
210K80.1Confident80.9Confident126 Ų12685.3 Ų85.355%0.54841%0.413SS..Hα-helixtrans-67.2-33.6172.4-76.4-179.6178.3-167.40113M206 K207 L208 L217M206-K210 WeakPolarHBondContact O-CB 3.29Å; M206-K210 VanDerWaalsContact O-CG 3.27Å; M206-K210 WeakPolarHBondContact O-CG 3.46Å; M206-K210 PolarHBondContact O-N 3.16Å; K207-K210 PolarHBondContact O-N 2.89Å; L208-K210 VanDerWaalsContact C-N 3.33Å; L208-K210 PolarHBondContact O-N 2.9Å; K210-L217 HydrophobicContact CG-CD1 3.98Å
211K82.3Confident81.8Confident175 Ų17589 Ų8976%0.76143%0.43SS*.Hα-helixtrans-73.4-40.7175.1-73.2177.2177.8-168.80111.9K207 L208 L209K207-K211 VanDerWaalsContact O-CG 3.3Å; K207-K211 WeakPolarHBondContact O-CG 3.36Å; K207-K211 PolarHBondContact O-N 3.46Å; L208-K211 CarbonylContact O-C 3.58Å; L208-K211 WeakPolarHBondContact O-CB 3.14Å; L208-K211 PolarHBondContact O-N 3.46Å; L208-K211 VanDerWaalsContact O-N 3.07Å; L209-K211 VanDerWaalsContact C-N 3.35Å
212E75.1Confident81.8Confident136 Ų13689.3 Ų89.364%0.63643%0.428SS*.Hα-helixtrans-82.7-30.1-175.8-71.3179.4177.200113.6L208L208-E212 WeakPolarHBondContact O-CB 3.43Å; L208-E212 WeakPolarHBondContact O-CG 3.45Å; L208-E212 PolarHBondContact O-N 3.24Å
213S73.7Confident82.3Confident7 Ų784.9 Ų84.95%0.04940%0.403CS..  trans-162.787.4-18054.30000111.9L209 E215 L216L209-S213 CarbonylContact O-C 3.33Å; L209-S213 PolarHBondContact O-N 2.99Å; S213-E215 VanDerWaalsContact C-N 3.27Å; S213-E215 PolarHBondContact O-N 3.15Å; S213-L216 WeakPolarHBondContact O-CB 3.48Å; S213-L216 PolarHBondContact O-N 3.45Å; S213-L216 WeakPolarHBondContact OG-CB 3.46Å
214P78.4Confident82.6Confident83 Ų8383.5 Ų83.554%0.53940%0.397SS..THydrogen-bonded Turntrans-62.7-35.1170.124.8-32.1000112.1L216 L217P214-L216 PolarHBondContact O-N 3.46Å; P214-L217 PolarHBondContact O-N 3.16Å
215E79.1Confident83Confident92 Ų9281.5 Ų81.543%0.4339%0.394SS..Hα-helixtrans-57.2-31.2178-60176.3169.700113.5S213 L217 E218 L219S213-E215 VanDerWaalsContact C-N 3.27Å; S213-E215 PolarHBondContact O-N 3.15Å; E215-L217 VanDerWaalsContact C-N 3.25Å; E215-L217 PolarHBondContact O-N 3.25Å; E215-E218 PolarHBondContact O-N 2.83Å; E215-L219 WeakPolarHBondContact O-CG 3.46Å; E215-L219 PolarHBondContact O-N 2.97Å
216L83.3Confident83.2Confident12 Ų1279.7 Ų79.76%0.06339%0.386CS..Hα-helixtrans-62.8-35-176.6174.961.1000111.9L209 S213 P214 I220 Y272 L273L209-L216 HydrophobicContact CD1-CD2 3.96Å; L209-L216 HydrophobicContact CD2-CD2 4.08Å; L209-L216 HydrophobicContact CG-CD2 4.09Å; S213-L216 WeakPolarHBondContact O-CB 3.48Å; S213-L216 PolarHBondContact O-N 3.45Å; S213-L216 WeakPolarHBondContact OG-CB 3.46Å; P214-L216 PolarHBondContact O-N 3.46Å; L216-I220 HydrophobicContact CD1-CD1 3.88Å; L216-I220 HydrophobicContact CD1-CG1 4.11Å; L216-I220 HydrophobicContact CG-CD1 3.89Å; L216-I220 WeakPolarHBondContact O-CD1 3.36Å; L216-I220 WeakPolarHBondContact O-CG1 3.33Å; L216-I220 PolarHBondContact O-N 3.49Å; L216-Y272 HydrophobicContact CB-CE1 4.45Å; L216-Y272 HydrophobicContact CD1-CD1 4.26Å; L216-Y272 HydrophobicContact CD1-CE1 3.94Å; L216-L273 HydrophobicContact CD1-CD2 3.37Å
217L83.9Confident83.6Confident53 Ų5377.9 Ų77.928%0.27738%0.378SS..Hα-helixtrans-68.4-41.5-179.4-67.8177.7000111.4M206 L209 K210 P214 E215 I220 Q221M206-L217 HydrophobicContact CE-CD2 4.4Å; L209-L217 HydrophobicContact CD2-CD2 3.86Å; L209-L217 HydrophobicContact CD2-CG 4.12Å; K210-L217 HydrophobicContact CG-CD1 3.98Å; P214-L217 PolarHBondContact O-N 3.16Å; E215-L217 VanDerWaalsContact C-N 3.25Å; E215-L217 PolarHBondContact O-N 3.25Å; L217-I220 PolarHBondContact O-N 2.99Å; L217-Q221 WeakPolarHBondContact O-CG 3.3Å; L217-Q221 PolarHBondContact O-N 2.94Å
218E86.3Confident83.8Confident120 Ų12074.6 Ų74.656%0.56137%0.37SS*.Hα-helixtrans-64.9-47.9175.8-64.4-178.8-178.200110.3E215 I220 Q221 D222E215-E218 PolarHBondContact O-N 2.83Å; E218-I220 VanDerWaalsContact C-N 3.28Å; E218-I220 PolarHBondContact O-N 2.85Å; E218-Q221 WeakPolarHBondContact O-CB 3.36Å; E218-Q221 PolarHBondContact O-N 3.49Å; E218-D222 PolarHBondContact O-N 2.9Å
219L85.7Confident84.1Confident27 Ų2774.9 Ų74.914%0.14137%0.37CS..Hα-helixtrans-59.6-34.9178.1-71.4169.4000113.2E215 F223 Y272 L291E215-L219 WeakPolarHBondContact O-CG 3.46Å; E215-L219 PolarHBondContact O-N 2.97Å; L219-F223 VanDerWaalsContact O-CB 3.26Å; L219-F223 WeakPolarHBondContact O-CB 3.4Å; L219-F223 PolarHBondContact O-N 3.32Å; L219-Y272 HydrophobicContact CD1-CD1 3.98Å; L219-Y272 HydrophobicContact CD1-CE1 3.78Å; L219-L291 HydrophobicContact CD2-CD1 4.41Å
220I86.9Confident84.4Confident56 Ų5673.6 Ų73.629%0.28736%0.363SS..Hα-helixtrans-69.3-38.3175.9-72.2166.2000111.4L216 L217 E218 K224 L273L216-I220 HydrophobicContact CD1-CD1 3.88Å; L216-I220 HydrophobicContact CD1-CG1 4.11Å; L216-I220 HydrophobicContact CG-CD1 3.89Å; L216-I220 WeakPolarHBondContact O-CD1 3.36Å; L216-I220 WeakPolarHBondContact O-CG1 3.33Å; L216-I220 PolarHBondContact O-N 3.49Å; L217-I220 PolarHBondContact O-N 2.99Å; E218-I220 VanDerWaalsContact C-N 3.28Å; E218-I220 PolarHBondContact O-N 2.85Å; I220-K224 WeakPolarHBondContact O-CG 3.29Å; I220-K224 PolarHBondContact O-N 3.49Å; I220-K224 VanDerWaalsContact O-N 3.09Å; I220-L273 HydrophobicContact CD1-CD2 4.35Å; I220-L273 HydrophobicContact CG1-CD2 4.16Å
221Q88.2Confident84.7Confident135 Ų13573.8 Ų73.863%0.63136%0.364SS*.Hα-helixtrans-66.4-46.5176.4-69.7177.26.800110.2L217 E218 F223 K224 A225L217-Q221 WeakPolarHBondContact O-CG 3.3Å; L217-Q221 PolarHBondContact O-N 2.94Å; E218-Q221 WeakPolarHBondContact O-CB 3.36Å; E218-Q221 PolarHBondContact O-N 3.49Å; Q221-F223 VanDerWaalsContact C-N 3.31Å; Q221-F223 PolarHBondContact O-N 3.5Å; Q221-K224 PolarHBondContact O-N 3.29Å; Q221-K224 VanDerWaalsContact O-N 3.14Å; Q221-A225 PolarHBondContact O-N 3.41Å
222D87.2Confident84.9Confident55 Ų5570.5 Ų70.529%0.29436%0.355SS..Hα-helixtrans-58.9-42.6175.5-71.8-7.1000111.6E218 K224 A225 K226E218-D222 PolarHBondContact O-N 2.9Å; D222-K224 VanDerWaalsContact C-N 3.35Å; D222-K224 PolarHBondContact O-N 3.03Å; D222-A225 PolarHBondContact O-N 2.87Å; D222-K226 WeakPolarHBondContact O-CG 3.38Å; D222-K226 PolarHBondContact O-N 3.28Å
223F89.2Confident85.1Confident48 Ų4867.9 Ų67.921%0.21134%0.343CS..Hα-helixtrans-60-43.8176-177.1-107.8000112.3L219 Q221 L227 C266 I269L219-F223 VanDerWaalsContact O-CB 3.26Å; L219-F223 WeakPolarHBondContact O-CB 3.4Å; L219-F223 PolarHBondContact O-N 3.32Å; Q221-F223 VanDerWaalsContact C-N 3.31Å; Q221-F223 PolarHBondContact O-N 3.5Å; F223-L227 HydrophobicContact CD1-CD1 3.81Å; F223-L227 HydrophobicContact CD1-CG 4.49Å; F223-L227 HydrophobicContact CE1-CD1 3.29Å; F223-L227 HydrophobicContact CE1-CG 4.21Å; F223-L227 HydrophobicContact CE2-CD1 4.19Å; F223-L227 HydrophobicContact CE2-CG 4.34Å; F223-L227 HydrophobicContact CG-CD1 4.46Å; F223-L227 HydrophobicContact CZ-CD1 3.51Å; F223-L227 HydrophobicContact CZ-CG 4.14Å; F223-L227 WeakPolarHBondContact O-CB 3.31Å; F223-L227 VanDerWaalsContact O-CG 3.29Å; F223-L227 WeakPolarHBondContact O-CG 3.21Å; F223-L227 PolarHBondContact O-N 3.24Å; F223-C266 HydrophobicContact CD2-CB 4.16Å; F223-C266 HydrophobicContact CE2-CB 3.74Å; F223-C266 WeakPolarHBondContact CE2-O 3.46Å; F223-I269 HydrophobicContact CB-CD1 4.08Å; F223-I269 HydrophobicContact CB-CG2 4.05Å; F223-I269 HydrophobicContact CD2-CB 4.03Å; F223-I269 HydrophobicContact CD2-CD1 4.17Å; F223-I269 HydrophobicContact CD2-CG2 4.01Å; F223-I269 HydrophobicContact CG-CG2 4.21Å
224K90.9Very high85.5Confident140 Ų14067.6 Ų67.661%0.60934%0.341SS*.Hα-helixtrans-64.1-44.1176.8-74.5178.7179.8-1790111.4I220 Q221 D222 L227 T228I220-K224 WeakPolarHBondContact O-CG 3.29Å; I220-K224 PolarHBondContact O-N 3.49Å; I220-K224 VanDerWaalsContact O-N 3.09Å; Q221-K224 PolarHBondContact O-N 3.29Å; Q221-K224 VanDerWaalsContact O-N 3.14Å; D222-K224 VanDerWaalsContact C-N 3.35Å; D222-K224 PolarHBondContact O-N 3.03Å; K224-L227 PolarHBondContact O-N 2.89Å; K224-T228 PolarHBondContact O-N 2.85Å; K224-T228 PolarHBondContact O-OG1 2.69Å
225A89.4Confident85.7Confident40 Ų4068.8 Ų68.833%0.33134%0.339SS..Hα-helixtrans-63-46.3178.900000112.2Q221 D222 L227 T228 E229Q221-A225 PolarHBondContact O-N 3.41Å; D222-A225 PolarHBondContact O-N 2.87Å; A225-L227 VanDerWaalsContact C-N 3.31Å; A225-L227 PolarHBondContact O-N 3.26Å; A225-T228 WeakPolarHBondContact CA-OG1 3.11Å; A225-T228 PolarHBondContact O-N 2.87Å; A225-T228 PolarHBondContact O-OG1 3.41Å; A225-E229 WeakPolarHBondContact O-CG 3.28Å; A225-E229 PolarHBondContact O-N 3.05Å
226K86.4Confident85.9Confident31 Ų3166 Ų6614%0.13533%0.329CS..Hα-helixtrans-68.2-29.2177.5-63.6-53.7178-167.60113.2D222 E229 L230 Y262 Y265D222-K226 WeakPolarHBondContact O-CG 3.38Å; D222-K226 PolarHBondContact O-N 3.28Å; K226-E229 WeakPolarHBondContact CD-OE2 3.45Å; K226-E229 VanDerWaalsContact NZ-CD 3.32Å; K226-E229 IonicContact NZ-OE1 2.74Å; K226-E229 PolarHBondContact NZ-OE1 3.2Å; K226-E229 IonicContact NZ-OE2 3.54Å; K226-E229 PolarHBondContact NZ-OE2 3.21Å; K226-L230 VanDerWaalsContact O-CB 3.3Å; K226-L230 WeakPolarHBondContact O-CB 3.39Å; K226-L230 WeakPolarHBondContact O-CD1 3.46Å; K226-L230 VanDerWaalsContact O-CG 3.26Å; K226-L230 WeakPolarHBondContact O-CG 3.42Å; K226-L230 PolarHBondContact O-N 3.42Å; K226-Y262 HydrophobicContact CD-CD1 4.43Å; K226-Y262 HydrophobicContact CD-CE1 4.1Å; K226-Y262 HydrophobicContact CD-CE2 4.38Å; K226-Y262 PolarHBondContact NZ-OH 3.18Å; K226-Y265 HydrophobicContact CG-CD1 4.07Å; K226-Y265 HydrophobicContact CG-CE1 4.05Å
227L86.8Confident85.4Confident57 Ų5766 Ų6630%0.29833%0.329SS..Hα-helixtrans-71.3-35.6170.8-77.6-177.7000113.5F223 K224 A225 L230 K231F223-L227 HydrophobicContact CD1-CD1 3.81Å; F223-L227 HydrophobicContact CD1-CG 4.49Å; F223-L227 HydrophobicContact CE1-CD1 3.29Å; F223-L227 HydrophobicContact CE1-CG 4.21Å; F223-L227 HydrophobicContact CE2-CD1 4.19Å; F223-L227 HydrophobicContact CE2-CG 4.34Å; F223-L227 HydrophobicContact CG-CD1 4.46Å; F223-L227 HydrophobicContact CZ-CD1 3.51Å; F223-L227 HydrophobicContact CZ-CG 4.14Å; F223-L227 WeakPolarHBondContact O-CB 3.31Å; F223-L227 VanDerWaalsContact O-CG 3.29Å; F223-L227 WeakPolarHBondContact O-CG 3.21Å; F223-L227 PolarHBondContact O-N 3.24Å; K224-L227 PolarHBondContact O-N 2.89Å; A225-L227 VanDerWaalsContact C-N 3.31Å; A225-L227 PolarHBondContact O-N 3.26Å; L227-L230 HydrophobicContact CD2-CD1 4.36Å; L227-K231 WeakPolarHBondContact O-CG 3.32Å; L227-K231 PolarHBondContact O-N 3.47Å; L227-K231 VanDerWaalsContact O-N 3.16Å
228T88.6Confident85Confident74 Ų7464.8 Ų64.845%0.45432%0.322SS..Hα-helixtrans-68.5-45.917447.70000110.7K224 A225 L230 K231 D232K224-T228 PolarHBondContact O-N 2.85Å; K224-T228 PolarHBondContact O-OG1 2.69Å; A225-T228 WeakPolarHBondContact CA-OG1 3.11Å; A225-T228 PolarHBondContact O-N 2.87Å; A225-T228 PolarHBondContact O-OG1 3.41Å; T228-L230 VanDerWaalsContact C-N 3.31Å; T228-L230 PolarHBondContact O-N 3.33Å; T228-K231 PolarHBondContact O-N 3.28Å; T228-K231 VanDerWaalsContact O-N 3.15Å; T228-D232 WeakPolarHBondContact O-CB 3.3Å; T228-D232 VanDerWaalsContact O-CG 3.28Å; T228-D232 PolarHBondContact O-N 3.42Å
229E86Confident84.8Confident51 Ų5164 Ų6424%0.23832%0.319CS..Hα-helixtrans-57.5-42.1174-70.4174-150.200112A225 K226 K231 E233 L234 Y262A225-E229 WeakPolarHBondContact O-CG 3.28Å; A225-E229 PolarHBondContact O-N 3.05Å; K226-E229 WeakPolarHBondContact CD-OE2 3.45Å; K226-E229 VanDerWaalsContact NZ-CD 3.32Å; K226-E229 IonicContact NZ-OE1 2.74Å; K226-E229 PolarHBondContact NZ-OE1 3.2Å; K226-E229 IonicContact NZ-OE2 3.54Å; K226-E229 PolarHBondContact NZ-OE2 3.21Å; E229-K231 PolarHBondContact O-N 3.19Å; E229-E233 WeakPolarHBondContact O-CB 3.41Å; E229-E233 PolarHBondContact O-N 3.48Å; E229-L234 PolarHBondContact O-N 2.94Å; E229-Y262 HydrophobicContact CB-CE2 4.35Å; E229-Y262 VanDerWaalsContact OE2-CE2 3.29Å; E229-Y262 WeakPolarHBondContact OE2-CE2 3.47Å; E229-Y262 PolarHBondContact OE2-OH 3.26Å
230L85.4Confident84.2Confident27 Ų2763.9 Ų63.914%0.14132%0.318CS..Iπ-helixtrans-61.5-41.5177.1-85.9166.8000113K226 L227 T228 L234 E235 R259 Y262K226-L230 VanDerWaalsContact O-CB 3.3Å; K226-L230 WeakPolarHBondContact O-CB 3.39Å; K226-L230 WeakPolarHBondContact O-CD1 3.46Å; K226-L230 VanDerWaalsContact O-CG 3.26Å; K226-L230 WeakPolarHBondContact O-CG 3.42Å; K226-L230 PolarHBondContact O-N 3.42Å; L227-L230 HydrophobicContact CD2-CD1 4.36Å; T228-L230 VanDerWaalsContact C-N 3.31Å; T228-L230 PolarHBondContact O-N 3.33Å; L230-L234 HydrophobicContact CD2-CB 4.27Å; L230-L234 HydrophobicContact CD2-CD1 3.53Å; L230-L234 HydrophobicContact CG-CD1 4.26Å; L230-L234 PolarHBondContact O-N 2.88Å; L230-E235 WeakPolarHBondContact O-CB 3.39Å; L230-E235 PolarHBondContact O-N 2.85Å; L230-R259 HydrophobicContact CD2-CG 4.22Å; L230-Y262 HydrophobicContact CD2-CD2 4.22Å; L230-Y262 HydrophobicContact CG-CD2 4.1Å
231K86.4Confident83.7Confident130 Ų13062.5 Ų62.557%0.56531%0.312SS*.Iπ-helixtrans-78.9-41.1-177.8-73.4178.1179.4-177.60112.6L227 T228 E229 P236L227-K231 WeakPolarHBondContact O-CG 3.32Å; L227-K231 PolarHBondContact O-N 3.47Å; L227-K231 VanDerWaalsContact O-N 3.16Å; T228-K231 PolarHBondContact O-N 3.28Å; T228-K231 VanDerWaalsContact O-N 3.15Å; E229-K231 PolarHBondContact O-N 3.19Å; K231-P236 WeakPolarHBondContact O-CD 3.26Å
232D85.6Confident83.1Confident106 Ų10663.4 Ų63.457%0.56731%0.313SS*.Iπ-helixtrans-85.6-33.9-171.2-60.9-23.6000111.6T228 P236T228-D232 WeakPolarHBondContact O-CB 3.3Å; T228-D232 VanDerWaalsContact O-CG 3.28Å; T228-D232 PolarHBondContact O-N 3.42Å; D232-P236 WeakPolarHBondContact O-CG 3.42Å
233E79.9Confident82.7Confident81 Ų8166.5 Ų66.538%0.37933%0.33SS..Iπ-helixtrans-108.3-52.8-175.8-54.7-178166.700112.5E229 P236 M237E229-E233 WeakPolarHBondContact O-CB 3.41Å; E229-E233 PolarHBondContact O-N 3.48Å; E233-P236 WeakPolarHBondContact O-CG 3.35Å; E233-M237 HydrophobicContact CB-CE 4.27Å; E233-M237 WeakPolarHBondContact O-CB 3.44Å; E233-M237 VanDerWaalsContact O-CE 3.3Å; E233-M237 WeakPolarHBondContact O-CE 3.48Å; E233-M237 VanDerWaalsContact O-CG 3.23Å; E233-M237 WeakPolarHBondContact O-CG 3.25Å; E233-M237 PolarHBondContact O-N 3.46Å
234L82.1Confident81.6Confident1 Ų167 Ų671%0.00535%0.349CS..Iπ-helixtrans-81.7-35-168.5-65.8173000113.4E229 L230 M237 M238 L255 K258 Y262E229-L234 PolarHBondContact O-N 2.94Å; L230-L234 HydrophobicContact CD2-CB 4.27Å; L230-L234 HydrophobicContact CD2-CD1 3.53Å; L230-L234 HydrophobicContact CG-CD1 4.26Å; L230-L234 PolarHBondContact O-N 2.88Å; L234-M237 HydrophobicContact CD2-CE 4.17Å; L234-M238 VanDerWaalsContact O-CB 3.3Å; L234-M238 WeakPolarHBondContact O-CB 3.38Å; L234-M238 PolarHBondContact O-N 3.42Å; L234-L255 HydrophobicContact CD2-CD1 3.35Å; L234-L255 HydrophobicContact CD2-CG 4.2Å; L234-K258 HydrophobicContact CD1-CG 4.24Å; L234-K258 HydrophobicContact CD2-CD 4.03Å; L234-K258 HydrophobicContact CD2-CG 4.22Å; L234-Y262 HydrophobicContact CD1-CD2 3.39Å; L234-Y262 HydrophobicContact CD1-CE2 3.85Å; L234-Y262 HydrophobicContact CD1-CG 4.39Å
235E82.1Confident80.4Confident108 Ų10866.1 Ų66.151%0.50535%0.345SS..Hα-helixtrans-64.1-49.4177.4-171.6155-153.300113.2L230 M238 Q239L230-E235 WeakPolarHBondContact O-CB 3.39Å; L230-E235 PolarHBondContact O-N 2.85Å; E235-M238 PolarHBondContact O-N 2.7Å; E235-Q239 WeakPolarHBondContact O-CG 3.47Å; E235-Q239 PolarHBondContact O-N 3.2Å; E235-Q239 VanDerWaalsContact O-N 3.09Å
236P84.2Confident79Confident35 Ų3566.4 Ų66.423%0.22734%0.34CS..Hα-helixtrans-65.8-39.1175.723.7-32000112K231 D232 E233 M238 Q239 M240K231-P236 WeakPolarHBondContact O-CD 3.26Å; D232-P236 WeakPolarHBondContact O-CG 3.42Å; E233-P236 WeakPolarHBondContact O-CG 3.35Å; P236-M238 VanDerWaalsContact C-N 3.34Å; P236-M238 PolarHBondContact O-N 3.04Å; P236-Q239 WeakPolarHBondContact O-CA 3.42Å; P236-Q239 WeakPolarHBondContact O-CB 3.39Å; P236-Q239 PolarHBondContact O-N 3.19Å; P236-Q239 VanDerWaalsContact O-N 3.1Å; P236-M240 HydrophobicContact CB-CE 4.31Å; P236-M240 WeakPolarHBondContact O-CG 3.41Å; P236-M240 PolarHBondContact O-N 3.05Å
237M71.9Confident78Confident11 Ų1170 Ų705%0.05437%0.367CS..Hα-helixtrans-65.1-37.4176.6-72.8-160.9-79.400112.7E233 L234 Q239 M240 V241 L255 F312E233-M237 HydrophobicContact CB-CE 4.27Å; E233-M237 WeakPolarHBondContact O-CB 3.44Å; E233-M237 VanDerWaalsContact O-CE 3.3Å; E233-M237 WeakPolarHBondContact O-CE 3.48Å; E233-M237 VanDerWaalsContact O-CG 3.23Å; E233-M237 WeakPolarHBondContact O-CG 3.25Å; E233-M237 PolarHBondContact O-N 3.46Å; L234-M237 HydrophobicContact CD2-CE 4.17Å; M237-Q239 VanDerWaalsContact C-N 3.26Å; M237-Q239 PolarHBondContact O-N 3.21Å; M237-M240 HydrophobicContact CG-SD 4.43Å; M237-M240 WeakPolarHBondContact O-CB 3.4Å; M237-M240 PolarHBondContact O-N 2.84Å; M237-M240 VanDerWaalsContact O-N 3.13Å; M237-V241 WeakPolarHBondContact O-CG2 3.17Å; M237-V241 PolarHBondContact O-N 2.88Å; M237-L255 HydrophobicContact CB-CD1 3.98Å; M237-L255 HydrophobicContact CB-CD2 3.53Å; M237-L255 HydrophobicContact CB-CG 4.4Å; M237-L255 HydrophobicContact CE-CD1 3.5Å; M237-L255 HydrophobicContact SD-CD1 3.95Å; M237-F312 HydrophobicContact CE-CD1 3.73Å; M237-F312 HydrophobicContact CE-CE1 3.65Å; M237-F312 HydrophobicContact CE-CG 4.42Å; M237-F312 HydrophobicContact CE-CZ 4.32Å; M237-F312 HydrophobicContact SD-CD1 3.27Å; M237-F312 WeakPolarHBondContact SD-CD1 3.35Å; M237-F312 HydrophobicContact SD-CE1 3.35Å; M237-F312 WeakPolarHBondContact SD-CE1 3.18Å; M237-F312 HydrophobicContact SD-CG 4.35Å; M237-F312 HydrophobicContact SD-CZ 4.49Å
238M77Confident76.8Confident28 Ų2872.4 Ų72.414%0.13840%0.395CS..Hα-helixtrans-64.9-34.5173.6-167.870.1-165.100111.4L234 E235 P236 K242 E256L234-M238 VanDerWaalsContact O-CB 3.3Å; L234-M238 WeakPolarHBondContact O-CB 3.38Å; L234-M238 PolarHBondContact O-N 3.42Å; E235-M238 PolarHBondContact O-N 2.7Å; P236-M238 VanDerWaalsContact C-N 3.34Å; P236-M238 PolarHBondContact O-N 3.04Å; M238-K242 HydrophobicContact CE-CG 4.44Å; M238-K242 HydrophobicContact CG-CD 4.41Å; M238-K242 WeakPolarHBondContact O-CB 3.3Å; M238-K242 VanDerWaalsContact O-CG 3.24Å; M238-K242 WeakPolarHBondContact O-CG 3.48Å; M238-K242 PolarHBondContact O-N 3.45Å; M238-E256 HydrophobicContact CE-CG 4.12Å; M238-E256 HydrophobicContact SD-CG 4.25Å
239Q80.1Confident76.1Confident104 Ų10470.4 Ų70.449%0.48639%0.389SS..Hα-helixtrans-65.8-39.1172.6-67.5175.113.400111E235 P236 M237 K242 N243E235-Q239 WeakPolarHBondContact O-CG 3.47Å; E235-Q239 PolarHBondContact O-N 3.2Å; E235-Q239 VanDerWaalsContact O-N 3.09Å; P236-Q239 WeakPolarHBondContact O-CA 3.42Å; P236-Q239 WeakPolarHBondContact O-CB 3.39Å; P236-Q239 PolarHBondContact O-N 3.19Å; P236-Q239 VanDerWaalsContact O-N 3.1Å; M237-Q239 VanDerWaalsContact C-N 3.26Å; M237-Q239 PolarHBondContact O-N 3.21Å; Q239-K242 PolarHBondContact O-N 3.29Å; Q239-N243 VanDerWaalsContact O-CB 3.23Å; Q239-N243 WeakPolarHBondContact O-CB 3.42Å; Q239-N243 PolarHBondContact O-N 3.38Å; Q239-N243 PolarHBondContact O-ND2 3.34Å; Q239-N243 VanDerWaalsContact O-ND2 3.11Å; Q239-N243 PolarHBondContact O-OD1 3.12Å
240M73.1Confident75.7Confident24 Ų2476.4 Ų76.412%0.11842%0.417CS..Hα-helixtrans-65.3-39.8175.1-62.9166.4-16400113.2P236 M237 N243 G244 K245 I246 D319P236-M240 HydrophobicContact CB-CE 4.31Å; P236-M240 WeakPolarHBondContact O-CG 3.41Å; P236-M240 PolarHBondContact O-N 3.05Å; M237-M240 HydrophobicContact CG-SD 4.43Å; M237-M240 WeakPolarHBondContact O-CB 3.4Å; M237-M240 PolarHBondContact O-N 2.84Å; M237-M240 VanDerWaalsContact O-N 3.13Å; M240-N243 PolarHBondContact O-N 3.19Å; M240-G244 PolarHBondContact O-N 3.41Å; M240-G244 VanDerWaalsContact O-N 3.16Å; M240-K245 PolarHBondContact O-N 3.32Å; M240-I246 HydrophobicContact CB-CD1 4.44Å; M240-D319 HydrophobicContact CE-CB 3.95Å; M240-D319 WeakPolarHBondContact CE-OD2 3.34Å
241V76.9Confident75.3Confident26 Ų2679.9 Ų79.916%0.15843%0.428CS..Hα-helixtrans-64.2-45174.11730000110.3M237 N243 G244 I246 A252 L255M237-V241 WeakPolarHBondContact O-CG2 3.17Å; M237-V241 PolarHBondContact O-N 2.88Å; V241-N243 VanDerWaalsContact C-N 3.33Å; V241-N243 PolarHBondContact O-N 2.92Å; V241-G244 PolarHBondContact O-N 2.69Å; V241-G244 VanDerWaalsContact O-N 3.13Å; V241-I246 HydrophobicContact CG2-CB 4.39Å; V241-I246 HydrophobicContact CG2-CD1 4.04Å; V241-A252 HydrophobicContact CG1-CB 4.03Å; V241-A252 HydrophobicContact CG2-CB 4.47Å; V241-L255 HydrophobicContact CG2-CD2 3.87Å
242K76.9Confident75Confident154 Ų15474 Ų7467%0.6740%0.403SS*.Hα-helixtrans-65.7-34.2175.9-73.9173.8179.7179.10113.2M238 Q239 G244M238-K242 HydrophobicContact CE-CG 4.44Å; M238-K242 HydrophobicContact CG-CD 4.41Å; M238-K242 WeakPolarHBondContact O-CB 3.3Å; M238-K242 VanDerWaalsContact O-CG 3.24Å; M238-K242 WeakPolarHBondContact O-CG 3.48Å; M238-K242 PolarHBondContact O-N 3.45Å; Q239-K242 PolarHBondContact O-N 3.29Å; K242-G244 PolarHBondContact O-N 3.32Å
243N77.9Confident75Confident121 Ų12173.5 Ų73.565%0.64740%0.401SS*.THydrogen-bonded Turntrans-75.6-7.1176.6-66.5-18.3000112.4Q239 M240 V241 K245Q239-N243 VanDerWaalsContact O-CB 3.23Å; Q239-N243 WeakPolarHBondContact O-CB 3.42Å; Q239-N243 PolarHBondContact O-N 3.38Å; Q239-N243 PolarHBondContact O-ND2 3.34Å; Q239-N243 VanDerWaalsContact O-ND2 3.11Å; Q239-N243 PolarHBondContact O-OD1 3.12Å; M240-N243 PolarHBondContact O-N 3.19Å; V241-N243 VanDerWaalsContact C-N 3.33Å; V241-N243 PolarHBondContact O-N 2.92Å; N243-K245 PolarHBondContact O-N 2.89Å
244G66.6Low75.3Confident58 Ų5871.3 Ų71.360%0.59839%0.39SS*.THydrogen-bonded Turntrans75.817.6174.200000114.9M240 V241 K242 I246M240-G244 PolarHBondContact O-N 3.41Å; M240-G244 VanDerWaalsContact O-N 3.16Å; V241-G244 PolarHBondContact O-N 2.69Å; V241-G244 VanDerWaalsContact O-N 3.13Å; K242-G244 PolarHBondContact O-N 3.32Å; G244-I246 VanDerWaalsContact C-N 3.31Å
245K64.6Low75.4Confident121 Ų12171.7 Ų71.753%0.52639%0.392SS..SBendtrans-71.7-27.6172.7-70.2-168.6-176.6-174.10112M240 N243 D319 D322M240-K245 PolarHBondContact O-N 3.32Å; N243-K245 PolarHBondContact O-N 2.89Å; K245-D319 IonicContact NZ-OD1 3.84Å; K245-D319 PolarHBondContact NZ-OD1 3.29Å; K245-D322 IonicContact NZ-OD2 2.74Å
246I60.2Low75.6Confident47 Ų4769.8 Ų69.824%0.24138%0.383CS..SBendtrans-105.4124.2175.5-56.4174.2000107.8M240 V241 G244M240-I246 HydrophobicContact CB-CD1 4.44Å; V241-I246 HydrophobicContact CG2-CB 4.39Å; V241-I246 HydrophobicContact CG2-CD1 4.04Å; G244-I246 VanDerWaalsContact C-N 3.31Å
247P66.2Low75.8Confident107 Ų10771.6 Ų71.670%0.69539%0.393SS*.  trans-64141.4175.925.7-32.1000110.5G249P247-G249 PolarHBondContact O-N 2.65Å
248A61.4Low76.6Confident107 Ų10771.4 Ų71.488%0.88439%0.392SS*.SBendtrans-58.1113.4174.700000109.5
249G73.9Confident77.2Confident32 Ų3273.9 Ų73.933%0.3340%0.4SS..SBendtrans-164.4-176.3-176.300000110.6P247 W251 A252 D253P247-G249 PolarHBondContact O-N 2.65Å; G249-W251 PolarHBondContact O-N 3.02Å; G249-A252 PolarHBondContact O-N 3.39Å; G249-D253 PolarHBondContact O-N 3.27Å
250Q77.8Confident77.8Confident176 Ų17673.4 Ų73.482%0.82240%0.398SS*.Hα-helixtrans-52.5-27-175.4-62.2175.325.100113.4Y254Q250-Y254 VanDerWaalsContact O-CB 3.31Å; Q250-Y254 WeakPolarHBondContact O-CB 3.25Å; Q250-Y254 PolarHBondContact O-N 2.97Å
251W76.2Confident78.6Confident101 Ų10173.3 Ų73.338%0.38340%0.398SS..Hα-helixtrans-70.2-40.4174.8-91.484.6000114.8G249 Y254 L255 L308 E311 F312G249-W251 PolarHBondContact O-N 3.02Å; W251-Y254 PolarHBondContact O-N 3.05Å; W251-L255 PolarHBondContact O-N 2.9Å; W251-L308 HydrophobicContact CH2-CB 3.85Å; W251-L308 HydrophobicContact CH2-CD1 3.88Å; W251-L308 HydrophobicContact CH2-CD2 3.38Å; W251-L308 HydrophobicContact CH2-CG 3.86Å; W251-L308 HydrophobicContact CZ2-CD1 4.19Å; W251-L308 HydrophobicContact CZ2-CD2 3.23Å; W251-L308 HydrophobicContact CZ2-CG 4.16Å; W251-L308 HydrophobicContact CZ3-CB 4.42Å; W251-L308 HydrophobicContact CZ3-CD1 4.13Å; W251-L308 HydrophobicContact CZ3-CD2 4.4Å; W251-E311 HydrophobicContact CH2-CB 4.25Å; W251-E311 VanDerWaalsContact CH2-OE2 3.32Å; W251-E311 WeakPolarHBondContact CH2-OE2 3.34Å; W251-E311 WeakPolarHBondContact CZ2-OE2 3.45Å; W251-F312 HydrophobicContact CE3-CE1 4.26Å; W251-F312 HydrophobicContact CE3-CZ 4.42Å; W251-F312 HydrophobicContact CH2-CE1 4.46Å; W251-F312 HydrophobicContact CH2-CZ 4.4Å; W251-F312 HydrophobicContact CZ3-CD1 4.21Å; W251-F312 AromaticContact CZ3-CE1 3.5Å; W251-F312 HydrophobicContact CZ3-CE1 3.5Å; W251-F312 HydrophobicContact CZ3-CE2 4.45Å; W251-F312 AromaticContact CZ3-CZ 3.63Å; W251-F312 HydrophobicContact CZ3-CZ 3.63Å
252A80.5Confident79.3Confident5 Ų572.3 Ų72.34%0.04139%0.391CS..Hα-helixtrans-68.6-42.7175.900000110V241 G249 Y254 L255 E256V241-A252 HydrophobicContact CG1-CB 4.03Å; V241-A252 HydrophobicContact CG2-CB 4.47Å; G249-A252 PolarHBondContact O-N 3.39Å; A252-Y254 VanDerWaalsContact C-N 3.33Å; A252-Y254 PolarHBondContact O-N 3.24Å; A252-L255 PolarHBondContact O-N 3.16Å; A252-E256 WeakPolarHBondContact O-CG 3.47Å; A252-E256 PolarHBondContact O-N 2.93Å
253D84.6Confident80Confident96 Ų9668.6 Ų68.651%0.51338%0.378SS..Hα-helixtrans-63.2-39.1175.9-62.5-15.9000111.5G249 E256 T257G249-D253 PolarHBondContact O-N 3.27Å; D253-E256 PolarHBondContact O-N 2.9Å; D253-T257 WeakPolarHBondContact O-CB 3.22Å; D253-T257 VanDerWaalsContact O-CG2 3.27Å; D253-T257 WeakPolarHBondContact O-CG2 3.46Å; D253-T257 PolarHBondContact O-N 3.43Å; D253-T257 PolarHBondContact O-OG1 3.39Å
254Y86.3Confident80.7Confident36 Ų3665.9 Ų65.914%0.14136%0.364CS..Hα-helixtrans-61.5-45.8173.1179.1-101.7000111.8Q250 W251 A252 E256 T257 K258 L301 V304 D305 L308Q250-Y254 VanDerWaalsContact O-CB 3.31Å; Q250-Y254 WeakPolarHBondContact O-CB 3.25Å; Q250-Y254 PolarHBondContact O-N 2.97Å; W251-Y254 PolarHBondContact O-N 3.05Å; A252-Y254 VanDerWaalsContact C-N 3.33Å; A252-Y254 PolarHBondContact O-N 3.24Å; Y254-E256 VanDerWaalsContact C-N 3.33Å; Y254-E256 PolarHBondContact O-N 3.26Å; Y254-T257 WeakPolarHBondContact CA-OG1 3.42Å; Y254-T257 PolarHBondContact O-N 2.9Å; Y254-T257 PolarHBondContact O-OG1 2.92Å; Y254-K258 HydrophobicContact CE1-CD 4.2Å; Y254-K258 VanDerWaalsContact O-CB 3.24Å; Y254-K258 WeakPolarHBondContact O-CB 3.48Å; Y254-K258 PolarHBondContact O-N 2.88Å; Y254-L301 HydrophobicContact CE2-CD2 3.64Å; Y254-V304 HydrophobicContact CE2-CG1 3.95Å; Y254-D305 PolarHBondContact OH-OD1 3.13Å; Y254-L308 HydrophobicContact CD1-CD1 4.04Å; Y254-L308 HydrophobicContact CE1-CD1 3.72Å
255L84.9Confident81.9Confident9 Ų963.5 Ų63.55%0.04734%0.337CS..Hα-helixtrans-64-40.4177.8-168.277.1000111.7L234 M237 V241 W251 A252 R259L234-L255 HydrophobicContact CD2-CD1 3.35Å; L234-L255 HydrophobicContact CD2-CG 4.2Å; M237-L255 HydrophobicContact CB-CD1 3.98Å; M237-L255 HydrophobicContact CB-CD2 3.53Å; M237-L255 HydrophobicContact CB-CG 4.4Å; M237-L255 HydrophobicContact CE-CD1 3.5Å; M237-L255 HydrophobicContact SD-CD1 3.95Å; V241-L255 HydrophobicContact CG2-CD2 3.87Å; W251-L255 PolarHBondContact O-N 2.9Å; A252-L255 PolarHBondContact O-N 3.16Å; L255-R259 VanDerWaalsContact O-CB 3.28Å; L255-R259 WeakPolarHBondContact O-CB 3.39Å; L255-R259 PolarHBondContact O-N 3.25Å
256E86.4Confident83.2Confident67 Ų6758.3 Ų58.331%0.31332%0.315SS..Hα-helixtrans-65.1-45.6177-76.2-171.3-174.900112.1M238 A252 D253 Y254 R259 Q260M238-E256 HydrophobicContact CE-CG 4.12Å; M238-E256 HydrophobicContact SD-CG 4.25Å; A252-E256 WeakPolarHBondContact O-CG 3.47Å; A252-E256 PolarHBondContact O-N 2.93Å; D253-E256 PolarHBondContact O-N 2.9Å; Y254-E256 VanDerWaalsContact C-N 3.33Å; Y254-E256 PolarHBondContact O-N 3.26Å; E256-R259 PolarHBondContact O-N 3.39Å; E256-Q260 WeakPolarHBondContact O-CB 3.47Å; E256-Q260 VanDerWaalsContact O-CG 3.23Å; E256-Q260 WeakPolarHBondContact O-CG 3.47Å; E256-Q260 PolarHBondContact O-N 3.11Å
257T88.5Confident84.7Confident73 Ų7358.8 Ų58.845%0.44832%0.32SS..Hα-helixtrans-66.4-42.2177.251.80000111.4D253 Y254 R259 Q260 L261D253-T257 WeakPolarHBondContact O-CB 3.22Å; D253-T257 VanDerWaalsContact O-CG2 3.27Å; D253-T257 WeakPolarHBondContact O-CG2 3.46Å; D253-T257 PolarHBondContact O-N 3.43Å; D253-T257 PolarHBondContact O-OG1 3.39Å; Y254-T257 WeakPolarHBondContact CA-OG1 3.42Å; Y254-T257 PolarHBondContact O-N 2.9Å; Y254-T257 PolarHBondContact O-OG1 2.92Å; T257-R259 PolarHBondContact O-N 3Å; T257-Q260 PolarHBondContact O-N 3.4Å; T257-L261 WeakPolarHBondContact O-CB 3.46Å; T257-L261 PolarHBondContact O-N 3.35Å
258K88.5Confident85.9Confident8 Ų854.7 Ų54.74%0.03529%0.293CS..Hα-helixtrans-59.4-45.6173.3-177.3172.6175.1176.90111.6L234 Y254 L261 Y262 D305L234-K258 HydrophobicContact CD1-CG 4.24Å; L234-K258 HydrophobicContact CD2-CD 4.03Å; L234-K258 HydrophobicContact CD2-CG 4.22Å; Y254-K258 HydrophobicContact CE1-CD 4.2Å; Y254-K258 VanDerWaalsContact O-CB 3.24Å; Y254-K258 WeakPolarHBondContact O-CB 3.48Å; Y254-K258 PolarHBondContact O-N 2.88Å; K258-L261 PolarHBondContact O-N 2.76Å; K258-Y262 HydrophobicContact CG-CE2 4.33Å; K258-Y262 PolarHBondContact O-N 2.99Å; K258-D305 VanDerWaalsContact CE-OD2 3.29Å; K258-D305 WeakPolarHBondContact CE-OD2 3.33Å; K258-D305 IonicContact NZ-OD1 2.76Å; K258-D305 PolarHBondContact NZ-OD1 3.28Å; K258-D305 IonicContact NZ-OD2 2.85Å; K258-D305 PolarHBondContact NZ-OD2 2.97Å
259R90.2Very high87.2Confident79 Ų7949.6 Ų49.630%0.29825%0.251SS..Hα-helixtrans-61.5-45.6174.9-174.1-167.367.3802.1111.7L230 L255 E256 T257 L261 L263L230-R259 HydrophobicContact CD2-CG 4.22Å; L255-R259 VanDerWaalsContact O-CB 3.28Å; L255-R259 WeakPolarHBondContact O-CB 3.39Å; L255-R259 PolarHBondContact O-N 3.25Å; E256-R259 PolarHBondContact O-N 3.39Å; T257-R259 PolarHBondContact O-N 3Å; R259-L261 VanDerWaalsContact C-N 3.32Å; R259-L261 PolarHBondContact O-N 3.25Å; R259-L263 VanDerWaalsContact O-CB 3.23Å; R259-L263 WeakPolarHBondContact O-CB 3.34Å; R259-L263 PolarHBondContact O-N 3.2Å
260Q91.4Very high88Confident94 Ų9450.6 Ų50.644%0.43925%0.252SS..Hα-helixtrans-61.2-42.5177.1-74.7174.517.600111.1E256 T257 L263 N264E256-Q260 WeakPolarHBondContact O-CB 3.47Å; E256-Q260 VanDerWaalsContact O-CG 3.23Å; E256-Q260 WeakPolarHBondContact O-CG 3.47Å; E256-Q260 PolarHBondContact O-N 3.11Å; T257-Q260 PolarHBondContact O-N 3.4Å; Q260-L263 PolarHBondContact O-N 2.96Å; Q260-N264 VanDerWaalsContact O-CB 3.3Å; Q260-N264 WeakPolarHBondContact O-CB 3.48Å; Q260-N264 PolarHBondContact O-N 3.2Å; Q260-N264 PolarHBondContact O-ND2 3.4Å
261L91.6Very high88.6Confident23 Ų2346.2 Ų46.212%0.1223%0.231CC..Hα-helixtrans-62.9-50.8178.8-170.5150.6000111.7T257 K258 R259 L263 N264 Y265 L297 I298 L301T257-L261 WeakPolarHBondContact O-CB 3.46Å; T257-L261 PolarHBondContact O-N 3.35Å; K258-L261 PolarHBondContact O-N 2.76Å; R259-L261 VanDerWaalsContact C-N 3.32Å; R259-L261 PolarHBondContact O-N 3.25Å; L261-L263 VanDerWaalsContact C-N 3.31Å; L261-L263 PolarHBondContact O-N 2.9Å; L261-N264 PolarHBondContact O-N 2.9Å; L261-Y265 WeakPolarHBondContact O-CB 3.49Å; L261-Y265 PolarHBondContact O-N 3.2Å; L261-L297 HydrophobicContact CD1-CB 3.67Å; L261-L297 HydrophobicContact CD1-CD1 4.11Å; L261-I298 HydrophobicContact CD2-CD1 4.03Å; L261-I298 HydrophobicContact CD2-CG1 3.42Å; L261-I298 VanDerWaalsContact CD2-CG1 3.42Å; L261-L301 HydrophobicContact CD1-CD1 3.79Å
262Y90.8Very high89.1Confident5 Ų541.6 Ų41.62%0.0221%0.213CC..Hα-helixtrans-63.2-37.5177.4-75.4-3.5000112.3K226 E229 L230 L234 K258 Y265 C266 I298K226-Y262 HydrophobicContact CD-CD1 4.43Å; K226-Y262 HydrophobicContact CD-CE1 4.1Å; K226-Y262 HydrophobicContact CD-CE2 4.38Å; K226-Y262 PolarHBondContact NZ-OH 3.18Å; E229-Y262 HydrophobicContact CB-CE2 4.35Å; E229-Y262 VanDerWaalsContact OE2-CE2 3.29Å; E229-Y262 WeakPolarHBondContact OE2-CE2 3.47Å; E229-Y262 PolarHBondContact OE2-OH 3.26Å; L230-Y262 HydrophobicContact CD2-CD2 4.22Å; L230-Y262 HydrophobicContact CG-CD2 4.1Å; L234-Y262 HydrophobicContact CD1-CD2 3.39Å; L234-Y262 HydrophobicContact CD1-CE2 3.85Å; L234-Y262 HydrophobicContact CD1-CG 4.39Å; K258-Y262 HydrophobicContact CG-CE2 4.33Å; K258-Y262 PolarHBondContact O-N 2.99Å; Y262-Y265 PolarHBondContact O-N 3.36Å; Y262-C266 VanDerWaalsContact O-CB 3.28Å; Y262-C266 WeakPolarHBondContact O-CB 3.43Å; Y262-C266 PolarHBondContact O-N 2.98Å; Y262-C266 PolarHBondContact O-SG 2.98Å; Y262-I298 HydrophobicContact CD1-CD1 4.35Å; Y262-I298 HydrophobicContact CD1-CG1 4.32Å; Y262-I298 HydrophobicContact CE1-CD1 4.26Å; Y262-I298 HydrophobicContact CE1-CG1 3.98Å; Y262-I298 HydrophobicContact CE1-CG2 4.38Å
263L91.2Very high89.4Confident75 Ų7544.1 Ų44.139%0.39323%0.226SC..Hα-helixtrans-64.6-46.5175.1-164.5158.4000110.6R259 Q260 L261 Y265 C266 T267R259-L263 VanDerWaalsContact O-CB 3.23Å; R259-L263 WeakPolarHBondContact O-CB 3.34Å; R259-L263 PolarHBondContact O-N 3.2Å; Q260-L263 PolarHBondContact O-N 2.96Å; L261-L263 VanDerWaalsContact C-N 3.31Å; L261-L263 PolarHBondContact O-N 2.9Å; L263-Y265 PolarHBondContact O-N 3.43Å; L263-C266 PolarHBondContact O-N 2.99Å; L263-T267 HydrophobicContact CD2-CG2 3.75Å; L263-T267 VanDerWaalsContact O-CG2 3.32Å; L263-T267 WeakPolarHBondContact O-CG2 3.36Å; L263-T267 PolarHBondContact O-N 3.37Å; L263-T267 PolarHBondContact O-OG1 2.93Å
264N92.8Very high89.6Confident65 Ų6542.7 Ų42.735%0.34822%0.22SC..Hα-helixtrans-61.3-42.7176.9-74.2-39.5000111.7Q260 L261 T267 N268 Y294Q260-N264 VanDerWaalsContact O-CB 3.3Å; Q260-N264 WeakPolarHBondContact O-CB 3.48Å; Q260-N264 PolarHBondContact O-N 3.2Å; Q260-N264 PolarHBondContact O-ND2 3.4Å; L261-N264 PolarHBondContact O-N 2.9Å; N264-T267 WeakPolarHBondContact CA-OG1 3.46Å; N264-T267 PolarHBondContact O-N 2.92Å; N264-T267 PolarHBondContact O-OG1 3.49Å; N264-N268 PolarHBondContact O-N 3.45Å; N264-Y294 HydrophobicContact CB-CE1 4.36Å; N264-Y294 HydrophobicContact CB-CE2 3.8Å
265Y92.5Very high89.7Confident8 Ų841.5 Ų41.53%0.03122%0.216CC..Hα-helixtrans-59.1-50.7173.6-176.5-119.6000111.7K226 L261 Y262 L263 T267 N268 I269 L291 Y294 I298K226-Y265 HydrophobicContact CG-CD1 4.07Å; K226-Y265 HydrophobicContact CG-CE1 4.05Å; L261-Y265 WeakPolarHBondContact O-CB 3.49Å; L261-Y265 PolarHBondContact O-N 3.2Å; Y262-Y265 PolarHBondContact O-N 3.36Å; L263-Y265 PolarHBondContact O-N 3.43Å; Y265-T267 VanDerWaalsContact C-N 3.32Å; Y265-T267 PolarHBondContact O-N 3.44Å; Y265-N268 PolarHBondContact O-N 2.96Å; Y265-I269 HydrophobicContact CD1-CD1 3.8Å; Y265-I269 HydrophobicContact CD2-CD1 4.41Å; Y265-I269 HydrophobicContact CE1-CD1 3.43Å; Y265-I269 VanDerWaalsContact CE1-CD1 3.43Å; Y265-I269 HydrophobicContact CE2-CD1 4.08Å; Y265-I269 HydrophobicContact CE2-CG1 4.4Å; Y265-I269 HydrophobicContact CG-CD1 4.29Å; Y265-I269 WeakPolarHBondContact O-CG1 3.08Å; Y265-I269 PolarHBondContact O-N 3.32Å; Y265-L291 HydrophobicContact CD2-CD2 3.77Å; Y265-L291 HydrophobicContact CE2-CD2 3.68Å; Y265-Y294 HydrophobicContact CD2-CD2 4.25Å; Y265-Y294 HydrophobicContact CD2-CG 4.44Å; Y265-I298 HydrophobicContact CD1-CD1 3.92Å; Y265-I298 HydrophobicContact CD2-CD1 4.39Å; Y265-I298 HydrophobicContact CE1-CD1 4.16Å; Y265-I298 HydrophobicContact CG-CD1 4.03Å
266C90.8Very high89.6Confident11 Ų1143.4 Ų43.47%0.07422%0.224CC..Hα-helixtrans-58.6-41.2176-760000112.4F223 Y262 L263 I269 S270F223-C266 HydrophobicContact CD2-CB 4.16Å; F223-C266 HydrophobicContact CE2-CB 3.74Å; F223-C266 WeakPolarHBondContact CE2-O 3.46Å; Y262-C266 VanDerWaalsContact O-CB 3.28Å; Y262-C266 WeakPolarHBondContact O-CB 3.43Å; Y262-C266 PolarHBondContact O-N 2.98Å; Y262-C266 PolarHBondContact O-SG 2.98Å; L263-C266 PolarHBondContact O-N 2.99Å; C266-I269 PolarHBondContact O-N 2.93Å; C266-S270 WeakPolarHBondContact O-CB 3.38Å; C266-S270 PolarHBondContact O-N 3.34Å
267T91.4Very high89.5Confident57 Ų5744.1 Ų44.135%0.3524%0.242SC..Hα-helixtrans-65.7-40.217756.40000112.1L263 N264 Y265 S270 F271L263-T267 HydrophobicContact CD2-CG2 3.75Å; L263-T267 VanDerWaalsContact O-CG2 3.32Å; L263-T267 WeakPolarHBondContact O-CG2 3.36Å; L263-T267 PolarHBondContact O-N 3.37Å; L263-T267 PolarHBondContact O-OG1 2.93Å; N264-T267 WeakPolarHBondContact CA-OG1 3.46Å; N264-T267 PolarHBondContact O-N 2.92Å; N264-T267 PolarHBondContact O-OG1 3.49Å; Y265-T267 VanDerWaalsContact C-N 3.32Å; Y265-T267 PolarHBondContact O-N 3.44Å; T267-S270 WeakPolarHBondContact CA-OG 3.26Å; T267-S270 PolarHBondContact O-N 3.21Å; T267-S270 PolarHBondContact O-OG 3.05Å; T267-F271 PolarHBondContact O-N 3.24Å
268N91.3Very high89.3Confident21 Ų2147.8 Ų47.811%0.11225%0.252CS..Hα-helixtrans-68.3-37.4177.1-79.1-4.7000112.4N264 Y265 S270 F271 Y272 V287 R290 L291 Y294N264-N268 PolarHBondContact O-N 3.45Å; Y265-N268 PolarHBondContact O-N 2.96Å; N268-S270 VanDerWaalsContact C-N 3.34Å; N268-F271 PolarHBondContact O-N 3.41Å; N268-Y272 PolarHBondContact O-N 3.47Å; N268-V287 HydrophobicContact CB-CG1 4.41Å; N268-R290 WeakPolarHBondContact ND2-CB 3.4Å; N268-L291 HydrophobicContact CB-CD2 3.69Å; N268-L291 HydrophobicContact CB-CG 4.21Å; N268-Y294 WeakPolarHBondContact ND2-CE2 3.18Å
269I90.5Very high88.9Confident1 Ų154.1 Ų54.11%0.00528%0.275CS..Hα-helixtrans-63.1-44.2171.5-63.2168.6000110.1F223 Y265 C266 F271 Y272 L273 L291F223-I269 HydrophobicContact CB-CD1 4.08Å; F223-I269 HydrophobicContact CB-CG2 4.05Å; F223-I269 HydrophobicContact CD2-CB 4.03Å; F223-I269 HydrophobicContact CD2-CD1 4.17Å; F223-I269 HydrophobicContact CD2-CG2 4.01Å; F223-I269 HydrophobicContact CG-CG2 4.21Å; Y265-I269 HydrophobicContact CD1-CD1 3.8Å; Y265-I269 HydrophobicContact CD2-CD1 4.41Å; Y265-I269 HydrophobicContact CE1-CD1 3.43Å; Y265-I269 VanDerWaalsContact CE1-CD1 3.43Å; Y265-I269 HydrophobicContact CE2-CD1 4.08Å; Y265-I269 HydrophobicContact CE2-CG1 4.4Å; Y265-I269 HydrophobicContact CG-CD1 4.29Å; Y265-I269 WeakPolarHBondContact O-CG1 3.08Å; Y265-I269 PolarHBondContact O-N 3.32Å; C266-I269 PolarHBondContact O-N 2.93Å; I269-F271 PolarHBondContact O-N 3.05Å; I269-Y272 WeakPolarHBondContact O-CB 3.37Å; I269-Y272 PolarHBondContact O-N 3.37Å; I269-Y272 VanDerWaalsContact O-N 3.16Å; I269-L273 HydrophobicContact CG2-CD1 4.24Å; I269-L273 HydrophobicContact CG2-CG 4.42Å; I269-L273 WeakPolarHBondContact O-CG 3.48Å; I269-L273 PolarHBondContact O-N 3.48Å; I269-L291 HydrophobicContact CG1-CD2 3.59Å
270S89.3Confident88.4Confident52 Ų5254.2 Ų54.236%0.36428%0.281SS..Hα-helixtrans-60.9-36.5177.479.20000112.2C266 T267 N268 L273 V274C266-S270 WeakPolarHBondContact O-CB 3.38Å; C266-S270 PolarHBondContact O-N 3.34Å; T267-S270 WeakPolarHBondContact CA-OG 3.26Å; T267-S270 PolarHBondContact O-N 3.21Å; T267-S270 PolarHBondContact O-OG 3.05Å; N268-S270 VanDerWaalsContact C-N 3.34Å; S270-L273 WeakPolarHBondContact O-CB 3.28Å; S270-L273 PolarHBondContact O-N 3.08Å; S270-V274 WeakPolarHBondContact O-CG2 3.35Å; S270-V274 PolarHBondContact O-N 2.95Å
271F90.1Very high87.7Confident84 Ų8454.1 Ų54.137%0.36829%0.289SS..Hα-helixtrans-69.3-41.4175.1-177.2-89.8000111.8T267 N268 I269 L273 V274 L275 H285 V287T267-F271 PolarHBondContact O-N 3.24Å; N268-F271 PolarHBondContact O-N 3.41Å; I269-F271 PolarHBondContact O-N 3.05Å; F271-L273 VanDerWaalsContact C-N 3.29Å; F271-L273 PolarHBondContact O-N 3.34Å; F271-V274 WeakPolarHBondContact O-CB 3.29Å; F271-V274 PolarHBondContact O-N 3.46Å; F271-V274 VanDerWaalsContact O-N 3.12Å; F271-L275 HydrophobicContact CD1-CD1 3.92Å; F271-L275 HydrophobicContact CD1-CG 4.03Å; F271-L275 HydrophobicContact CE1-CD1 3.5Å; F271-L275 VanDerWaalsContact CE1-CD1 3.5Å; F271-L275 HydrophobicContact CE1-CD2 3.92Å; F271-L275 HydrophobicContact CE1-CG 3.64Å; F271-L275 HydrophobicContact CZ-CD1 4.39Å; F271-L275 HydrophobicContact CZ-CD2 3.99Å; F271-L275 HydrophobicContact CZ-CG 4.18Å; F271-L275 WeakPolarHBondContact O-CG 3.44Å; F271-L275 PolarHBondContact O-N 2.88Å; F271-H285 AromaticContact CE1-CE1 3.29Å; F271-H285 WeakPolarHBondContact CE1-CE1 3.46Å; F271-H285 AromaticContact CE1-ND1 3.88Å; F271-H285 AromaticContact CE1-NE2 3.4Å; F271-H285 WeakPolarHBondContact CE1-NE2 3.29Å; F271-H285 AromaticContact CZ-CE1 3.85Å; F271-H285 AromaticContact CZ-NE2 3.62Å; F271-V287 HydrophobicContact CD1-CB 4.25Å; F271-V287 HydrophobicContact CD1-CG1 4.24Å; F271-V287 HydrophobicContact CD1-CG2 3.42Å; F271-V287 VanDerWaalsContact CD1-CG2 3.42Å; F271-V287 HydrophobicContact CE1-CG2 3.64Å; F271-V287 HydrophobicContact CG-CG2 4.46Å
272Y88.5Confident86.5Confident4 Ų453.1 Ų53.12%0.01628%0.284CS..Hα-helixtrans-58-42.2172.2-179.5-93.2000111.7L216 L219 N268 I269 V274 L275 K276 A282 I288L216-Y272 HydrophobicContact CB-CE1 4.45Å; L216-Y272 HydrophobicContact CD1-CD1 4.26Å; L216-Y272 HydrophobicContact CD1-CE1 3.94Å; L219-Y272 HydrophobicContact CD1-CD1 3.98Å; L219-Y272 HydrophobicContact CD1-CE1 3.78Å; N268-Y272 PolarHBondContact O-N 3.47Å; I269-Y272 WeakPolarHBondContact O-CB 3.37Å; I269-Y272 PolarHBondContact O-N 3.37Å; I269-Y272 VanDerWaalsContact O-N 3.16Å; Y272-V274 VanDerWaalsContact C-N 3.34Å; Y272-V274 PolarHBondContact O-N 3.04Å; Y272-L275 PolarHBondContact O-N 3.03Å; Y272-K276 HydrophobicContact CD1-CG 4.31Å; Y272-K276 HydrophobicContact CE1-CG 3.93Å; Y272-K276 PolarHBondContact O-N 2.84Å; Y272-K276 WeakPolarHBondContact OH-CE 3.33Å; Y272-A282 HydrophobicContact CD2-CB 4.12Å; Y272-A282 HydrophobicContact CE2-CB 3.55Å; Y272-I288 HydrophobicContact CE2-CG1 4.35Å
273L86.8Confident85.5Confident58 Ų5859.1 Ų59.130%0.30431%0.312SS..Hα-helixtrans-61.1-41.3174.2-69.8171.3000112.1L216 I220 I269 S270 F271 K276 A277L216-L273 HydrophobicContact CD1-CD2 3.37Å; I220-L273 HydrophobicContact CD1-CD2 4.35Å; I220-L273 HydrophobicContact CG1-CD2 4.16Å; I269-L273 HydrophobicContact CG2-CD1 4.24Å; I269-L273 HydrophobicContact CG2-CG 4.42Å; I269-L273 WeakPolarHBondContact O-CG 3.48Å; I269-L273 PolarHBondContact O-N 3.48Å; S270-L273 WeakPolarHBondContact O-CB 3.28Å; S270-L273 PolarHBondContact O-N 3.08Å; F271-L273 VanDerWaalsContact C-N 3.29Å; F271-L273 PolarHBondContact O-N 3.34Å; L273-K276 PolarHBondContact O-N 3.22Å; L273-A277 WeakPolarHBondContact O-CB 3.33Å; L273-A277 PolarHBondContact O-N 3.02Å
274V88.3Confident84.7Confident66 Ų6663 Ų6340%0.433%0.332SS..Hα-helixtrans-65.3-40.4176170.80000111.6S270 F271 Y272 A277 K278S270-V274 WeakPolarHBondContact O-CG2 3.35Å; S270-V274 PolarHBondContact O-N 2.95Å; F271-V274 WeakPolarHBondContact O-CB 3.29Å; F271-V274 PolarHBondContact O-N 3.46Å; F271-V274 VanDerWaalsContact O-N 3.12Å; Y272-V274 VanDerWaalsContact C-N 3.34Å; Y272-V274 PolarHBondContact O-N 3.04Å; V274-A277 PolarHBondContact O-N 3.44Å; V274-K278 HydrophobicContact CG1-CD 4.16Å; V274-K278 WeakPolarHBondContact O-CB 3.05Å; V274-K278 WeakPolarHBondContact O-CG 3.47Å; V274-K278 PolarHBondContact O-N 3.15Å
275L87.4Confident84.3Confident11 Ų1162.5 Ų62.56%0.05833%0.328CS..Hα-helixtrans-61.5-45.2175.8-71.3179.2000111.7F271 Y272 K278 R279 I280 H285F271-L275 HydrophobicContact CD1-CD1 3.92Å; F271-L275 HydrophobicContact CD1-CG 4.03Å; F271-L275 HydrophobicContact CE1-CD1 3.5Å; F271-L275 VanDerWaalsContact CE1-CD1 3.5Å; F271-L275 HydrophobicContact CE1-CD2 3.92Å; F271-L275 HydrophobicContact CE1-CG 3.64Å; F271-L275 HydrophobicContact CZ-CD1 4.39Å; F271-L275 HydrophobicContact CZ-CD2 3.99Å; F271-L275 HydrophobicContact CZ-CG 4.18Å; F271-L275 WeakPolarHBondContact O-CG 3.44Å; F271-L275 PolarHBondContact O-N 2.88Å; Y272-L275 PolarHBondContact O-N 3.03Å; L275-K278 CarbonylContact O-C 3.52Å; L275-K278 PolarHBondContact O-N 2.91Å; L275-R279 PolarHBondContact O-N 2.97Å; L275-R279 VanDerWaalsContact O-N 3.12Å; L275-I280 HydrophobicContact CD2-CB 4.46Å; L275-I280 HydrophobicContact CD2-CD1 4.12Å; L275-I280 PolarHBondContact O-N 3.13Å; L275-I280 VanDerWaalsContact O-N 3.13Å; L275-H285 HydrophobicContact CD1-CB 3.98Å
276K83.3Confident84.2Confident49 Ų4964.8 Ų64.821%0.21334%0.344CS..Hα-helixtrans-64.7-39.9176.2-71.5-67.6-171.3175.30111.6Y272 L273 K278 R279 A282Y272-K276 HydrophobicContact CD1-CG 4.31Å; Y272-K276 HydrophobicContact CE1-CG 3.93Å; Y272-K276 PolarHBondContact O-N 2.84Å; Y272-K276 WeakPolarHBondContact OH-CE 3.33Å; L273-K276 PolarHBondContact O-N 3.22Å; K276-K278 VanDerWaalsContact C-N 3.28Å; K276-K278 PolarHBondContact O-N 3.23Å; K276-R279 PolarHBondContact O-N 3.32Å; K276-A282 HydrophobicContact CD-CB 4.31Å
277A85.5Confident84Confident83 Ų8364.5 Ų64.569%0.68634%0.342SS*.Hα-helixtrans-61.7-35.9173.800000112.5L273 V274 R279L273-A277 WeakPolarHBondContact O-CB 3.33Å; L273-A277 PolarHBondContact O-N 3.02Å; V274-A277 PolarHBondContact O-N 3.44Å; A277-R279 VanDerWaalsContact C-N 3.26Å; A277-R279 PolarHBondContact O-N 3.14Å
278K84.5Confident83.8Confident150 Ų15063.8 Ų63.865%0.65234%0.335SS*.THydrogen-bonded Turntrans-79.8-1.8175.2-70.3-179.8178.9-179.40114V274 L275 K276 I280V274-K278 HydrophobicContact CG1-CD 4.16Å; V274-K278 WeakPolarHBondContact O-CB 3.05Å; V274-K278 WeakPolarHBondContact O-CG 3.47Å; V274-K278 PolarHBondContact O-N 3.15Å; L275-K278 CarbonylContact O-C 3.52Å; L275-K278 PolarHBondContact O-N 2.91Å; K276-K278 VanDerWaalsContact C-N 3.28Å; K276-K278 PolarHBondContact O-N 3.23Å; K278-I280 HydrophobicContact CB-CD1 4.18Å; K278-I280 HydrophobicContact CB-CG1 4.2Å; K278-I280 PolarHBondContact O-N 3.11Å
279R78.3Confident83.7Confident140 Ų14069.2 Ų69.253%0.52836%0.36SS..THydrogen-bonded Turntrans55.233.6-176.1-53.3-170.2-174.5-167.35.8113.9L275 K276 A277L275-R279 PolarHBondContact O-N 2.97Å; L275-R279 VanDerWaalsContact O-N 3.12Å; K276-R279 PolarHBondContact O-N 3.32Å; A277-R279 VanDerWaalsContact C-N 3.26Å; A277-R279 PolarHBondContact O-N 3.14Å
280I79.9Confident83.7Confident81 Ų8175.6 Ų75.642%0.41538%0.384SS..  trans-83.7130.8169.2-60.7170.7000106.8L275 K278 A282L275-I280 HydrophobicContact CD2-CB 4.46Å; L275-I280 HydrophobicContact CD2-CD1 4.12Å; L275-I280 PolarHBondContact O-N 3.13Å; L275-I280 VanDerWaalsContact O-N 3.13Å; K278-I280 HydrophobicContact CB-CD1 4.18Å; K278-I280 HydrophobicContact CB-CG1 4.2Å; K278-I280 PolarHBondContact O-N 3.11Å; I280-A282 PolarHBondContact O-N 3.01Å; I280-A282 VanDerWaalsContact O-N 3.14Å
281P76.9Confident83.7Confident93 Ų9373.8 Ų73.860%0.60437%0.37SS*.  trans-59.4120.7176.724.7-33000109.1H283P281-H283 VanDerWaalsContact C-N 3.33Å
282A66.9Low83.7Confident2 Ų274.3 Ų74.32%0.01738%0.376CS..SBendtrans-80.5-15.1-172.300000113.3Y272 K276 I280 N284 H285 I288Y272-A282 HydrophobicContact CD2-CB 4.12Å; Y272-A282 HydrophobicContact CE2-CB 3.55Å; K276-A282 HydrophobicContact CD-CB 4.31Å; I280-A282 PolarHBondContact O-N 3.01Å; I280-A282 VanDerWaalsContact O-N 3.14Å; A282-N284 VanDerWaalsContact C-N 3.28Å; A282-N284 PolarHBondContact O-N 3.42Å; A282-H285 PolarHBondContact O-N 3.12Å; A282-I288 WeakPolarHBondContact O-CD1 3.34Å
283H68.6Low83.9Confident131 Ų13177.5 Ų77.561%0.60640%0.397SS*.THydrogen-bonded Turntrans-57.8-37.5-174.8-66-66000113.2P281P281-H283 VanDerWaalsContact C-N 3.33Å
284N76.3Confident84.1Confident155 Ų15577.1 Ų77.183%0.82939%0.391SS*.THydrogen-bonded Turntrans-95.111-174.7-59.7-0.7000113.1A282A282-N284 VanDerWaalsContact C-N 3.28Å; A282-N284 PolarHBondContact O-N 3.42Å
285H84.3Confident84.3Confident55 Ų5579.8 Ų79.826%0.25539%0.394SS..SBendtrans-96.3132.9-177.9-161.8-71000111.1F271 L275 A282 V287 I288F271-H285 AromaticContact CE1-CE1 3.29Å; F271-H285 WeakPolarHBondContact CE1-CE1 3.46Å; F271-H285 AromaticContact CE1-ND1 3.88Å; F271-H285 AromaticContact CE1-NE2 3.4Å; F271-H285 WeakPolarHBondContact CE1-NE2 3.29Å; F271-H285 AromaticContact CZ-CE1 3.85Å; F271-H285 AromaticContact CZ-NE2 3.62Å; L275-H285 HydrophobicContact CD1-CB 3.98Å; A282-H285 PolarHBondContact O-N 3.12Å; H285-V287 WeakPolarHBondContact CE1-CG2 3.39Å; H285-V287 WeakPolarHBondContact ND1-CB 3.43Å; H285-V287 WeakPolarHBondContact ND1-CG2 3.32Å; H285-V287 PolarHBondContact ND1-N 3.2Å; H285-V287 VanDerWaalsContact ND1-N 3.15Å; H285-V287 PolarHBondContact O-N 2.95Å; H285-I288 PolarHBondContact O-N 2.89Å
286P88.6Confident84.5Confident57 Ų5783.6 Ų83.637%0.3742%0.415SS..THydrogen-bonded Turntrans-63.43179.226.9-38.4000114.6I288 R290P286-I288 VanDerWaalsContact C-N 3.34Å; P286-R290 VanDerWaalsContact O-CG 3.31Å; P286-R290 WeakPolarHBondContact O-CG 3.28Å; P286-R290 PolarHBondContact O-N 3.26Å; P286-R290 VanDerWaalsContact O-N 3.16Å
287V88Confident84.9Confident4 Ų484.6 Ų84.62%0.02442%0.422CS..Hα-helixtrans-75.7-29.7176.9163.30000110.5N268 F271 H285 R290 L291N268-V287 HydrophobicContact CB-CG1 4.41Å; F271-V287 HydrophobicContact CD1-CB 4.25Å; F271-V287 HydrophobicContact CD1-CG1 4.24Å; F271-V287 HydrophobicContact CD1-CG2 3.42Å; F271-V287 VanDerWaalsContact CD1-CG2 3.42Å; F271-V287 HydrophobicContact CE1-CG2 3.64Å; F271-V287 HydrophobicContact CG-CG2 4.46Å; H285-V287 WeakPolarHBondContact CE1-CG2 3.39Å; H285-V287 WeakPolarHBondContact ND1-CB 3.43Å; H285-V287 WeakPolarHBondContact ND1-CG2 3.32Å; H285-V287 PolarHBondContact ND1-N 3.2Å; H285-V287 VanDerWaalsContact ND1-N 3.15Å; H285-V287 PolarHBondContact O-N 2.95Å; V287-R290 PolarHBondContact O-N 3.32Å; V287-L291 HydrophobicContact CG1-CD1 4Å; V287-L291 HydrophobicContact CG1-CG 4.26Å; V287-L291 WeakPolarHBondContact O-CB 3.35Å; V287-L291 WeakPolarHBondContact O-CG 3.47Å; V287-L291 PolarHBondContact O-N 3.45Å
288I86.6Confident85.1Confident42 Ų4281.4 Ų81.422%0.21539%0.393CS..Hα-helixtrans-64.6-48.4174.7-61.4179.3000109.8Y272 A282 H285 P286 R290 L291 L292Y272-I288 HydrophobicContact CE2-CG1 4.35Å; A282-I288 WeakPolarHBondContact O-CD1 3.34Å; H285-I288 PolarHBondContact O-N 2.89Å; P286-I288 VanDerWaalsContact C-N 3.34Å; I288-R290 VanDerWaalsContact C-N 3.34Å; I288-R290 PolarHBondContact O-N 3.14Å; I288-L291 PolarHBondContact O-N 3.17Å; I288-L291 VanDerWaalsContact O-N 3.16Å; I288-L292 HydrophobicContact CG2-CD1 4.43Å; I288-L292 WeakPolarHBondContact O-CG 3.39Å; I288-L292 PolarHBondContact O-N 3Å
289E90Very high85.3Confident136 Ų13678.6 Ų78.664%0.63639%0.386SS*.Hα-helixtrans-55.4-49174.1-67.1173.1-169.500111.4L291 L292 T293E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 2.98Å; E289-L292 WeakPolarHBondContact O-CB 3.21Å; E289-L292 PolarHBondContact O-N 3.48Å; E289-L292 VanDerWaalsContact O-N 3.16Å; E289-T293 WeakPolarHBondContact O-CG2 3.38Å; E289-T293 PolarHBondContact O-N 3.37Å
290R90.6Very high85.8Confident135 Ų13578.2 Ų78.251%0.50939%0.39SS..Hα-helixtrans-61.6-38.8178.2-70.8175.6177170.71.2112.7N268 P286 V287 I288 L292 T293 Y294N268-R290 WeakPolarHBondContact ND2-CB 3.4Å; P286-R290 VanDerWaalsContact O-CG 3.31Å; P286-R290 WeakPolarHBondContact O-CG 3.28Å; P286-R290 PolarHBondContact O-N 3.26Å; P286-R290 VanDerWaalsContact O-N 3.16Å; V287-R290 PolarHBondContact O-N 3.32Å; I288-R290 VanDerWaalsContact C-N 3.34Å; I288-R290 PolarHBondContact O-N 3.14Å; R290-L292 VanDerWaalsContact C-N 3.34Å; R290-T293 WeakPolarHBondContact CA-OG1 3.39Å; R290-T293 PolarHBondContact O-N 3.02Å; R290-T293 PolarHBondContact O-OG1 3.4Å; R290-Y294 WeakPolarHBondContact O-CD2 3.44Å; R290-Y294 PolarHBondContact O-N 3.17Å
291L89.1Confident86.1Confident13 Ų1375.9 Ų75.97%0.06838%0.378CS..Hα-helixtrans-64.1-39.6175.9-74.3171.7000111.7L219 Y265 N268 I269 V287 I288 E289 Y294 R295L219-L291 HydrophobicContact CD2-CD1 4.41Å; Y265-L291 HydrophobicContact CD2-CD2 3.77Å; Y265-L291 HydrophobicContact CE2-CD2 3.68Å; N268-L291 HydrophobicContact CB-CD2 3.69Å; N268-L291 HydrophobicContact CB-CG 4.21Å; I269-L291 HydrophobicContact CG1-CD2 3.59Å; V287-L291 HydrophobicContact CG1-CD1 4Å; V287-L291 HydrophobicContact CG1-CG 4.26Å; V287-L291 WeakPolarHBondContact O-CB 3.35Å; V287-L291 WeakPolarHBondContact O-CG 3.47Å; V287-L291 PolarHBondContact O-N 3.45Å; I288-L291 PolarHBondContact O-N 3.17Å; I288-L291 VanDerWaalsContact O-N 3.16Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 2.98Å; L291-Y294 PolarHBondContact O-N 3.23Å; L291-R295 WeakPolarHBondContact O-CB 3.49Å; L291-R295 PolarHBondContact O-N 3.12Å
292L89.9Confident86.4Confident95 Ų9574.5 Ų74.550%0.49737%0.371SS..Hα-helixtrans-64-44.4173.6-67.5172.2000111.4I288 E289 R290 Y294 R295 N296I288-L292 HydrophobicContact CG2-CD1 4.43Å; I288-L292 WeakPolarHBondContact O-CG 3.39Å; I288-L292 PolarHBondContact O-N 3Å; E289-L292 WeakPolarHBondContact O-CB 3.21Å; E289-L292 PolarHBondContact O-N 3.48Å; E289-L292 VanDerWaalsContact O-N 3.16Å; R290-L292 VanDerWaalsContact C-N 3.34Å; L292-Y294 VanDerWaalsContact C-N 3.34Å; L292-Y294 PolarHBondContact O-N 3.47Å; L292-R295 PolarHBondContact O-N 3.14Å; L292-N296 VanDerWaalsContact O-CG 3.29Å; L292-N296 PolarHBondContact O-N 2.99Å
293T91.9Very high87.3Confident72 Ų7277.1 Ų77.144%0.44239%0.392SS..Hα-helixtrans-59.7-44176.563.90000111.9E289 R290 N296 L297E289-T293 WeakPolarHBondContact O-CG2 3.38Å; E289-T293 PolarHBondContact O-N 3.37Å; R290-T293 WeakPolarHBondContact CA-OG1 3.39Å; R290-T293 PolarHBondContact O-N 3.02Å; R290-T293 PolarHBondContact O-OG1 3.4Å; T293-N296 PolarHBondContact O-N 3.29Å; T293-L297 WeakPolarHBondContact O-CG 3.4Å; T293-L297 PolarHBondContact O-N 3.29Å
294Y92.3Very high88Confident49 Ų4973.9 Ų73.919%0.19238%0.381CS..Hα-helixtrans-67.4-38.8176.8-68.6-32.8000112N264 Y265 N268 R290 L291 L292 N296 L297 I298N264-Y294 HydrophobicContact CB-CE1 4.36Å; N264-Y294 HydrophobicContact CB-CE2 3.8Å; Y265-Y294 HydrophobicContact CD2-CD2 4.25Å; Y265-Y294 HydrophobicContact CD2-CG 4.44Å; N268-Y294 WeakPolarHBondContact ND2-CE2 3.18Å; R290-Y294 WeakPolarHBondContact O-CD2 3.44Å; R290-Y294 PolarHBondContact O-N 3.17Å; L291-Y294 PolarHBondContact O-N 3.23Å; L292-Y294 VanDerWaalsContact C-N 3.34Å; L292-Y294 PolarHBondContact O-N 3.47Å; Y294-N296 VanDerWaalsContact C-N 3.3Å; Y294-N296 PolarHBondContact O-N 3.24Å; Y294-L297 HydrophobicContact CD1-CD1 4.28Å; Y294-L297 PolarHBondContact O-N 3.3Å; Y294-I298 WeakPolarHBondContact O-CG1 3.21Å; Y294-I298 PolarHBondContact O-N 2.72Å
295R90.5Very high88.3Confident122 Ų12267.6 Ų67.646%0.4635%0.348SS..Hα-helixtrans-60.1-41.5174.7-172.3176.6-176.6171.83.3111.8L291 L292 I298 N299L291-R295 WeakPolarHBondContact O-CB 3.49Å; L291-R295 PolarHBondContact O-N 3.12Å; L292-R295 PolarHBondContact O-N 3.14Å; R295-I298 PolarHBondContact O-N 3.44Å; R295-N299 VanDerWaalsContact O-CG 3.28Å; R295-N299 PolarHBondContact O-N 3.09Å; R295-N299 PolarHBondContact O-ND2 3.02Å
296N91.9Very high88.4Confident92 Ų9268.2 Ų68.249%0.49236%0.363SS..Hα-helixtrans-64.2-46.7176.6-67.3-14.3000111.4L292 T293 Y294 I298 N299 E300L292-N296 VanDerWaalsContact O-CG 3.29Å; L292-N296 PolarHBondContact O-N 2.99Å; T293-N296 PolarHBondContact O-N 3.29Å; Y294-N296 VanDerWaalsContact C-N 3.3Å; Y294-N296 PolarHBondContact O-N 3.24Å; N296-I298 VanDerWaalsContact C-N 3.28Å; N296-I298 PolarHBondContact O-N 2.74Å; N296-N299 WeakPolarHBondContact O-CB 3.5Å; N296-N299 PolarHBondContact O-N 3Å; N296-N299 VanDerWaalsContact O-N 3.09Å; N296-E300 PolarHBondContact O-N 3.47Å
297L91.7Very high88.1Confident70 Ų7072.6 Ų72.637%0.36638%0.378SS..Hα-helixtrans-62.5-34.9176.2-66.6170.9000112.2L261 T293 Y294 N299 E300 L301L261-L297 HydrophobicContact CD1-CB 3.67Å; L261-L297 HydrophobicContact CD1-CD1 4.11Å; T293-L297 WeakPolarHBondContact O-CG 3.4Å; T293-L297 PolarHBondContact O-N 3.29Å; Y294-L297 HydrophobicContact CD1-CD1 4.28Å; Y294-L297 PolarHBondContact O-N 3.3Å; L297-N299 VanDerWaalsContact C-N 3.34Å; L297-E300 PolarHBondContact O-N 3.03Å; L297-L301 WeakPolarHBondContact O-CB 3.24Å; L297-L301 VanDerWaalsContact O-CG 3.31Å; L297-L301 WeakPolarHBondContact O-CG 3.33Å; L297-L301 PolarHBondContact O-N 3.23Å
298I90.4Very high87.5Confident16 Ų1673.8 Ų73.88%0.08238%0.384CS..Hα-helixtrans-63.9-40.9173.8-68.1168.6000110.8L261 Y262 Y265 Y294 R295 N296 L301 S302L261-I298 HydrophobicContact CD2-CD1 4.03Å; L261-I298 HydrophobicContact CD2-CG1 3.42Å; L261-I298 VanDerWaalsContact CD2-CG1 3.42Å; Y262-I298 HydrophobicContact CD1-CD1 4.35Å; Y262-I298 HydrophobicContact CD1-CG1 4.32Å; Y262-I298 HydrophobicContact CE1-CD1 4.26Å; Y262-I298 HydrophobicContact CE1-CG1 3.98Å; Y262-I298 HydrophobicContact CE1-CG2 4.38Å; Y265-I298 HydrophobicContact CD1-CD1 3.92Å; Y265-I298 HydrophobicContact CD2-CD1 4.39Å; Y265-I298 HydrophobicContact CE1-CD1 4.16Å; Y265-I298 HydrophobicContact CG-CD1 4.03Å; Y294-I298 WeakPolarHBondContact O-CG1 3.21Å; Y294-I298 PolarHBondContact O-N 2.72Å; R295-I298 PolarHBondContact O-N 3.44Å; N296-I298 VanDerWaalsContact C-N 3.28Å; N296-I298 PolarHBondContact O-N 2.74Å; I298-L301 PolarHBondContact O-N 3.13Å; I298-S302 WeakPolarHBondContact O-CB 3.45Å; I298-S302 PolarHBondContact O-N 2.98Å
299N89.6Confident86.8Confident91 Ų9173.2 Ų73.249%0.48739%0.386SS..Hα-helixtrans-65.5-40.4177.7-66.8-22.3000111.3R295 N296 L297 S302R295-N299 VanDerWaalsContact O-CG 3.28Å; R295-N299 PolarHBondContact O-N 3.09Å; R295-N299 PolarHBondContact O-ND2 3.02Å; N296-N299 WeakPolarHBondContact O-CB 3.5Å; N296-N299 PolarHBondContact O-N 3Å; N296-N299 VanDerWaalsContact O-N 3.09Å; L297-N299 VanDerWaalsContact C-N 3.34Å; N299-S302 WeakPolarHBondContact O-CB 3.43Å; N299-S302 PolarHBondContact O-N 3.42Å; N299-S302 PolarHBondContact O-OG 2.63Å
300E88.6Confident86.2Confident131 Ų13169.9 Ų69.961%0.61238%0.376SS*.Hα-helixtrans-63.8-43.2174.3-69.4174.3-172.800111.3N296 L297 S302 A303N296-E300 PolarHBondContact O-N 3.47Å; L297-E300 PolarHBondContact O-N 3.03Å; E300-S302 VanDerWaalsContact C-N 3.3Å; E300-S302 PolarHBondContact O-N 3.46Å; E300-A303 PolarHBondContact O-N 2.92Å
301L85.3Confident85.4Confident32 Ų3268 Ų6817%0.16837%0.373CS..Hα-helixtrans-65.5-30.9174.6-72.5179.4000112.9Y254 L261 L297 I298 A303 V304 D305Y254-L301 HydrophobicContact CE2-CD2 3.64Å; L261-L301 HydrophobicContact CD1-CD1 3.79Å; L297-L301 WeakPolarHBondContact O-CB 3.24Å; L297-L301 VanDerWaalsContact O-CG 3.31Å; L297-L301 WeakPolarHBondContact O-CG 3.33Å; L297-L301 PolarHBondContact O-N 3.23Å; I298-L301 PolarHBondContact O-N 3.13Å; L301-A303 PolarHBondContact O-N 2.88Å; L301-V304 WeakPolarHBondContact O-CB 3.43Å; L301-V304 PolarHBondContact O-N 3.04Å; L301-D305 WeakPolarHBondContact O-CB 3.45Å; L301-D305 PolarHBondContact O-N 3.44Å
302S84.1Confident84.5Confident65 Ų6568.4 Ų68.446%0.45537%0.374SS..Hα-helixtrans-61.5-31.8-178.578.80000112.9I298 N299 E300 D305 A306I298-S302 WeakPolarHBondContact O-CB 3.45Å; I298-S302 PolarHBondContact O-N 2.98Å; N299-S302 WeakPolarHBondContact O-CB 3.43Å; N299-S302 PolarHBondContact O-N 3.42Å; N299-S302 PolarHBondContact O-OG 2.63Å; E300-S302 VanDerWaalsContact C-N 3.3Å; E300-S302 PolarHBondContact O-N 3.46Å; S302-D305 PolarHBondContact O-N 3.35Å; S302-A306 PolarHBondContact O-N 3.45Å
303A85.6Confident83.6Confident56 Ų5672.9 Ų72.946%0.46338%0.384SS..Hα-helixtrans-66.4-43.5174.600000111.1E300 L301 A306 H307E300-A303 PolarHBondContact O-N 2.92Å; L301-A303 PolarHBondContact O-N 2.88Å; A303-A306 PolarHBondContact O-N 3.31Å; A303-H307 PolarHBondContact O-CD2 3.43Å
304V83.3Confident83Confident63 Ų6376.2 Ų76.238%0.38239%0.392SS..Hα-helixtrans-66.9-43.9176.5-178.10000110.3Y254 L301 A306 H307 L308Y254-V304 HydrophobicContact CE2-CG1 3.95Å; L301-V304 WeakPolarHBondContact O-CB 3.43Å; L301-V304 PolarHBondContact O-N 3.04Å; V304-A306 VanDerWaalsContact C-N 3.27Å; V304-A306 PolarHBondContact O-N 3.37Å; V304-H307 WeakPolarHBondContact O-CB 3.02Å; V304-H307 PolarHBondContact O-N 2.72Å; V304-L308 HydrophobicContact CG1-CD1 3.93Å; V304-L308 HydrophobicContact CG1-CG 4.3Å; V304-L308 WeakPolarHBondContact O-CG 3.29Å; V304-L308 PolarHBondContact O-N 2.79Å; V304-L308 VanDerWaalsContact O-N 3.09Å
305D82.4Confident81.7Confident23 Ų2377 Ų7712%0.12340%0.399CS..Hα-helixtrans-59.7-36.2177.3-76.6-24.2000112.3Y254 K258 L301 S302 H307 L308 A309Y254-D305 PolarHBondContact OH-OD1 3.13Å; K258-D305 VanDerWaalsContact CE-OD2 3.29Å; K258-D305 WeakPolarHBondContact CE-OD2 3.33Å; K258-D305 IonicContact NZ-OD1 2.76Å; K258-D305 PolarHBondContact NZ-OD1 3.28Å; K258-D305 IonicContact NZ-OD2 2.85Å; K258-D305 PolarHBondContact NZ-OD2 2.97Å; L301-D305 WeakPolarHBondContact O-CB 3.45Å; L301-D305 PolarHBondContact O-N 3.44Å; S302-D305 PolarHBondContact O-N 3.35Å; D305-H307 VanDerWaalsContact C-N 3.27Å; D305-H307 PolarHBondContact O-N 3.44Å; D305-L308 PolarHBondContact O-N 3.47Å; D305-A309 VanDerWaalsContact O-CB 3.24Å; D305-A309 WeakPolarHBondContact O-CB 3.45Å; D305-A309 PolarHBondContact O-N 3.04Å
306A85.3Confident80.7Confident69 Ų6973.9 Ų73.957%0.5739%0.392SS*.Hα-helixtrans-62.4-35.7175.900000112.4S302 A303 V304S302-A306 PolarHBondContact O-N 3.45Å; A303-A306 PolarHBondContact O-N 3.31Å; V304-A306 VanDerWaalsContact C-N 3.27Å; V304-A306 PolarHBondContact O-N 3.37Å
307H82.6Confident79.8Confident148 Ų14872.6 Ų72.669%0.68539%0.387SS*.Hα-helixtrans-72.6-34.3174.9-70.8-66.7000112.7A303 V304 D305 P310A303-H307 PolarHBondContact O-CD2 3.43Å; V304-H307 WeakPolarHBondContact O-CB 3.02Å; V304-H307 PolarHBondContact O-N 2.72Å; D305-H307 VanDerWaalsContact C-N 3.27Å; D305-H307 PolarHBondContact O-N 3.44Å; H307-P310 WeakPolarHBondContact O-CD 3.42Å; H307-P310 WeakPolarHBondContact O-CG 3.28Å
308L75.3Confident78.3Confident29 Ų2974.8 Ų74.815%0.15240%0.395CS..Hα-helixtrans-89.6-21.6-176.8-59.3-175.3000113.8W251 Y254 V304 D305 P310 E311 F312W251-L308 HydrophobicContact CH2-CB 3.85Å; W251-L308 HydrophobicContact CH2-CD1 3.88Å; W251-L308 HydrophobicContact CH2-CD2 3.38Å; W251-L308 HydrophobicContact CH2-CG 3.86Å; W251-L308 HydrophobicContact CZ2-CD1 4.19Å; W251-L308 HydrophobicContact CZ2-CD2 3.23Å; W251-L308 HydrophobicContact CZ2-CG 4.16Å; W251-L308 HydrophobicContact CZ3-CB 4.42Å; W251-L308 HydrophobicContact CZ3-CD1 4.13Å; W251-L308 HydrophobicContact CZ3-CD2 4.4Å; Y254-L308 HydrophobicContact CD1-CD1 4.04Å; Y254-L308 HydrophobicContact CE1-CD1 3.72Å; V304-L308 HydrophobicContact CG1-CD1 3.93Å; V304-L308 HydrophobicContact CG1-CG 4.3Å; V304-L308 WeakPolarHBondContact O-CG 3.29Å; V304-L308 PolarHBondContact O-N 2.79Å; V304-L308 VanDerWaalsContact O-N 3.09Å; D305-L308 PolarHBondContact O-N 3.47Å; L308-P310 VanDerWaalsContact C-CD 3.42Å; L308-E311 WeakPolarHBondContact O-CA 3.48Å; L308-E311 WeakPolarHBondContact O-CB 3.36Å; L308-E311 PolarHBondContact O-N 2.92Å; L308-F312 VanDerWaalsContact C-CD2 3.44Å; L308-F312 HydrophobicContact CB-CD2 3.87Å; L308-F312 HydrophobicContact CB-CE2 3.36Å; L308-F312 HydrophobicContact CB-CZ 4.03Å; L308-F312 HydrophobicContact CD1-CE2 4.29Å; L308-F312 HydrophobicContact CD1-CZ 4.29Å; L308-F312 HydrophobicContact CG-CE2 4.48Å; L308-F312 VanDerWaalsContact O-CD2 3.24Å; L308-F312 WeakPolarHBondContact O-CD2 3.32Å; L308-F312 PolarHBondContact O-N 3.48Å
309A73.2Confident76.9Confident31 Ų3175.3 Ų75.326%0.25640%0.399SS..Hα-helixtrans-48-43.7176.800000115.3D305 E311 F312 R313D305-A309 VanDerWaalsContact O-CB 3.24Å; D305-A309 WeakPolarHBondContact O-CB 3.45Å; D305-A309 PolarHBondContact O-N 3.04Å; A309-E311 VanDerWaalsContact C-N 3.28Å; A309-E311 PolarHBondContact O-N 3.41Å; A309-F312 PolarHBondContact O-N 2.95Å; A309-R313 WeakPolarHBondContact O-CB 3.02Å; A309-R313 VanDerWaalsContact O-CG 3.29Å; A309-R313 WeakPolarHBondContact O-CG 3.4Å; A309-R313 PolarHBondContact O-N 2.88Å
310P76.3Confident75.6Confident66 Ų6677.3 Ų77.343%0.42941%0.405SS..Hα-helixtrans-67.5-28.3176.926.4-35.6000113H307 L308 K314H307-P310 WeakPolarHBondContact O-CD 3.42Å; H307-P310 WeakPolarHBondContact O-CG 3.28Å; L308-P310 VanDerWaalsContact C-CD 3.42Å; P310-K314 WeakPolarHBondContact O-CD 3.49Å; P310-K314 VanDerWaalsContact O-CG 3.26Å; P310-K314 WeakPolarHBondContact O-CG 3.31Å; P310-K314 PolarHBondContact O-N 3.41Å
311E75.1Confident74Confident95 Ų9577.5 Ų77.544%0.44440%0.404SS..Hα-helixtrans-77.8-41.2176-59.8-170.2163.800110.7W251 L308 A309 R313 K314 L315W251-E311 HydrophobicContact CH2-CB 4.25Å; W251-E311 VanDerWaalsContact CH2-OE2 3.32Å; W251-E311 WeakPolarHBondContact CH2-OE2 3.34Å; W251-E311 WeakPolarHBondContact CZ2-OE2 3.45Å; L308-E311 WeakPolarHBondContact O-CA 3.48Å; L308-E311 WeakPolarHBondContact O-CB 3.36Å; L308-E311 PolarHBondContact O-N 2.92Å; A309-E311 VanDerWaalsContact C-N 3.28Å; A309-E311 PolarHBondContact O-N 3.41Å; E311-R313 VanDerWaalsContact C-N 3.34Å; E311-R313 PolarHBondContact O-N 2.9Å; E311-K314 PolarHBondContact O-N 3.27Å; E311-K314 VanDerWaalsContact O-N 3.16Å; E311-L315 PolarHBondContact O-N 3.18Å
312F69.1Low72.4Confident22 Ų2280 Ų8010%0.09642%0.418CS..Hα-helixtrans-58.1-44.2171.8-68.9-51.5000112.3M237 W251 L308 A309 K314 L315 L316M237-F312 HydrophobicContact CE-CD1 3.73Å; M237-F312 HydrophobicContact CE-CE1 3.65Å; M237-F312 HydrophobicContact CE-CG 4.42Å; M237-F312 HydrophobicContact CE-CZ 4.32Å; M237-F312 HydrophobicContact SD-CD1 3.27Å; M237-F312 WeakPolarHBondContact SD-CD1 3.35Å; M237-F312 HydrophobicContact SD-CE1 3.35Å; M237-F312 WeakPolarHBondContact SD-CE1 3.18Å; M237-F312 HydrophobicContact SD-CG 4.35Å; M237-F312 HydrophobicContact SD-CZ 4.49Å; W251-F312 HydrophobicContact CE3-CE1 4.26Å; W251-F312 HydrophobicContact CE3-CZ 4.42Å; W251-F312 HydrophobicContact CH2-CE1 4.46Å; W251-F312 HydrophobicContact CH2-CZ 4.4Å; W251-F312 HydrophobicContact CZ3-CD1 4.21Å; W251-F312 AromaticContact CZ3-CE1 3.5Å; W251-F312 HydrophobicContact CZ3-CE1 3.5Å; W251-F312 HydrophobicContact CZ3-CE2 4.45Å; W251-F312 AromaticContact CZ3-CZ 3.63Å; W251-F312 HydrophobicContact CZ3-CZ 3.63Å; L308-F312 VanDerWaalsContact C-CD2 3.44Å; L308-F312 HydrophobicContact CB-CD2 3.87Å; L308-F312 HydrophobicContact CB-CE2 3.36Å; L308-F312 HydrophobicContact CB-CZ 4.03Å; L308-F312 HydrophobicContact CD1-CE2 4.29Å; L308-F312 HydrophobicContact CD1-CZ 4.29Å; L308-F312 HydrophobicContact CG-CE2 4.48Å; L308-F312 VanDerWaalsContact O-CD2 3.24Å; L308-F312 WeakPolarHBondContact O-CD2 3.32Å; L308-F312 PolarHBondContact O-N 3.48Å; A309-F312 PolarHBondContact O-N 2.95Å; F312-K314 VanDerWaalsContact C-N 3.31Å; F312-K314 PolarHBondContact O-N 2.98Å; F312-L315 PolarHBondContact O-N 3.22Å; F312-L316 WeakPolarHBondContact O-CD1 3.44Å; F312-L316 PolarHBondContact O-N 2.87Å
313R71.8Confident70.8Confident189 Ų18981.1 Ų81.171%0.71342%0.418SS*.Hα-helixtrans-64.6-34.8177.2-73.7174.9-177.31782.3112.5A309 E311 V317A309-R313 WeakPolarHBondContact O-CB 3.02Å; A309-R313 VanDerWaalsContact O-CG 3.29Å; A309-R313 WeakPolarHBondContact O-CG 3.4Å; A309-R313 PolarHBondContact O-N 2.88Å; E311-R313 VanDerWaalsContact C-N 3.34Å; E311-R313 PolarHBondContact O-N 2.9Å; R313-V317 WeakPolarHBondContact O-CB 3.3Å; R313-V317 WeakPolarHBondContact O-CG2 3.24Å; R313-V317 PolarHBondContact O-N 3.27Å; R313-V317 VanDerWaalsContact O-N 3.15Å
314K77.6Confident69Low141 Ų14184.3 Ų84.361%0.61342%0.424SS*.Hα-helixtrans-68.7-44176.1-73.8169.3-173.4175.90111.3P310 E311 F312 V317 E318P310-K314 WeakPolarHBondContact O-CD 3.49Å; P310-K314 VanDerWaalsContact O-CG 3.26Å; P310-K314 WeakPolarHBondContact O-CG 3.31Å; P310-K314 PolarHBondContact O-N 3.41Å; E311-K314 PolarHBondContact O-N 3.27Å; E311-K314 VanDerWaalsContact O-N 3.16Å; F312-K314 VanDerWaalsContact C-N 3.31Å; F312-K314 PolarHBondContact O-N 2.98Å; K314-V317 PolarHBondContact O-N 3.36Å; K314-E318 WeakPolarHBondContact O-CG 3.33Å; K314-E318 PolarHBondContact O-N 3.03Å
315L67Low67.1Low65 Ų6584.9 Ų84.934%0.3443%0.43SS..Hα-helixtrans-65.9-45.1178.6-72167.7000112E311 F312 V317 E318 D319E311-L315 PolarHBondContact O-N 3.18Å; F312-L315 PolarHBondContact O-N 3.22Å; L315-V317 VanDerWaalsContact C-N 3.32Å; L315-V317 PolarHBondContact O-N 3.25Å; L315-E318 PolarHBondContact O-N 2.95Å; L315-D319 PolarHBondContact O-N 2.83Å
316L68.1Low65.3Low57 Ų5787.6 Ų87.630%0.29845%0.451SS..Hα-helixtrans-60.6-39.9174.7-100.2112.4000112.4F312 D319 E320F312-L316 WeakPolarHBondContact O-CD1 3.44Å; F312-L316 PolarHBondContact O-N 2.87Å; L316-D319 PolarHBondContact O-N 2.9Å; L316-E320 WeakPolarHBondContact O-CG 3.35Å; L316-E320 PolarHBondContact O-N 3.05Å
317V72.5Confident63.2Low65 Ų6591.5 Ų91.539%0.39446%0.455SS..Hα-helixtrans-71.1-30.1177.6170.10000112.3R313 K314 L315 K321R313-V317 WeakPolarHBondContact O-CB 3.3Å; R313-V317 WeakPolarHBondContact O-CG2 3.24Å; R313-V317 PolarHBondContact O-N 3.27Å; R313-V317 VanDerWaalsContact O-N 3.15Å; K314-V317 PolarHBondContact O-N 3.36Å; L315-V317 VanDerWaalsContact C-N 3.32Å; L315-V317 PolarHBondContact O-N 3.25Å; V317-K321 WeakPolarHBondContact O-CD 3.42Å; V317-K321 VanDerWaalsContact O-CG 3.3Å; V317-K321 WeakPolarHBondContact O-CG 3.44Å; V317-K321 PolarHBondContact O-N 3.02Å
318E61.8Low61.1Low116 Ų11694 Ų9454%0.54246%0.459SS..Hα-helixtrans-70.3-41.7172-79.4179.2171.400111.5K314 L315 K321 D322K314-E318 WeakPolarHBondContact O-CG 3.33Å; K314-E318 PolarHBondContact O-N 3.03Å; L315-E318 PolarHBondContact O-N 2.95Å; E318-K321 PolarHBondContact O-N 2.88Å; E318-D322 PolarHBondContact O-N 3.38Å
319D59.2Low59.1Low28 Ų28101.7 Ų101.715%0.1549%0.491CS..Hα-helixtrans-69.4-34.9175.4-78.2-59.2000112.9M240 K245 L315 L316 K321 D322 D323M240-D319 HydrophobicContact CE-CB 3.95Å; M240-D319 WeakPolarHBondContact CE-OD2 3.34Å; K245-D319 IonicContact NZ-OD1 3.84Å; K245-D319 PolarHBondContact NZ-OD1 3.29Å; L315-D319 PolarHBondContact O-N 2.83Å; L316-D319 PolarHBondContact O-N 2.9Å; D319-K321 VanDerWaalsContact C-N 3.26Å; D319-K321 PolarHBondContact O-N 2.83Å; D319-D322 PolarHBondContact O-N 3.07Å; D319-D323 WeakPolarHBondContact O-CB 3.46Å; D319-D323 PolarHBondContact O-N 3.31Å
320E62.7Low57Low132 Ų132106.4 Ų106.462%0.61752%0.516SS*.Hα-helixtrans-62.4-33.9172-78.1-171.7158.600112.2L316 E324L316-E320 WeakPolarHBondContact O-CG 3.35Å; L316-E320 PolarHBondContact O-N 3.05Å; E320-E324 WeakPolarHBondContact O-CB 3.25Å; E320-E324 PolarHBondContact O-N 3.07Å
321K56Low54.7Low136 Ų136112.8 Ų112.859%0.59154%0.541SS*.Hα-helixtrans-73.7-38.3174.7-72170.6-174.8171.30112.1V317 E318 D319 E324 S325V317-K321 WeakPolarHBondContact O-CD 3.42Å; V317-K321 VanDerWaalsContact O-CG 3.3Å; V317-K321 WeakPolarHBondContact O-CG 3.44Å; V317-K321 PolarHBondContact O-N 3.02Å; E318-K321 PolarHBondContact O-N 2.88Å; D319-K321 VanDerWaalsContact C-N 3.26Å; D319-K321 PolarHBondContact O-N 2.83Å; K321-E324 PolarHBondContact O-N 3.44Å; K321-S325 PolarHBondContact O-N 3.33Å; K321-S325 VanDerWaalsContact O-N 3.08Å
322D51Low52.5Low85 Ų85111.6 Ų111.646%0.45555%0.554SS.*Hα-helixtrans-68.1-36.7174.3-79.2-10.9000111.5K245 E318 D319 S325 S326K245-D322 IonicContact NZ-OD2 2.74Å; E318-D322 PolarHBondContact O-N 3.38Å; D319-D322 PolarHBondContact O-N 3.07Å; D322-S325 PolarHBondContact O-N 3.43Å; D322-S325 PolarHBondContact O-OG 2.83Å; D322-S326 PolarHBondContact O-N 2.99Å; D322-S326 VanDerWaalsContact O-N 3.1Å; D322-S326 PolarHBondContact O-OG 3.2Å
323D51.4Low50.5Low88 Ų88121 Ų12147%0.47160%0.595SS.*Hα-helixtrans-71.6-35.9174.2-96.9-9000112.8D319 S325 S326 K327D319-D323 WeakPolarHBondContact O-CB 3.46Å; D319-D323 PolarHBondContact O-N 3.31Å; D323-S325 VanDerWaalsContact C-N 3.3Å; D323-S325 PolarHBondContact O-N 2.91Å; D323-S326 PolarHBondContact O-N 3.4Å; D323-K327 WeakPolarHBondContact O-CB 3.36Å; D323-K327 WeakPolarHBondContact O-CG 3.48Å; D323-K327 PolarHBondContact O-N 2.9Å
324E47.6Very low48.4Very low123 Ų123121.3 Ų121.358%0.57560%0.601SS**Hα-helixtrans-64.3-35.1170.7-89.8-152.1164.800112.2E320 K321 S326 R328E320-E324 WeakPolarHBondContact O-CB 3.25Å; E320-E324 PolarHBondContact O-N 3.07Å; K321-E324 PolarHBondContact O-N 3.44Å; E324-S326 VanDerWaalsContact C-N 3.28Å; E324-S326 PolarHBondContact O-N 2.96Å; E324-R328 WeakPolarHBondContact O-CG 3.32Å
325S44.1Very low46Very low75 Ų75121.4 Ų121.452%0.52461%0.614SS.*Hα-helixtrans-69.9-29175.484.20000112.2K321 D322 D323K321-S325 PolarHBondContact O-N 3.33Å; K321-S325 VanDerWaalsContact O-N 3.08Å; D322-S325 PolarHBondContact O-N 3.43Å; D322-S325 PolarHBondContact O-OG 2.83Å; D323-S325 VanDerWaalsContact C-N 3.3Å; D323-S325 PolarHBondContact O-N 2.91Å
326S43.8Very low44.1Very low80 Ų80128.1 Ų128.156%0.55964%0.64SS**Hα-helixtrans-82.6-30178.7-55.60000112.9D322 D323 E324 R328D322-S326 PolarHBondContact O-N 2.99Å; D322-S326 VanDerWaalsContact O-N 3.1Å; D322-S326 PolarHBondContact O-OG 3.2Å; D323-S326 PolarHBondContact O-N 3.4Å; E324-S326 VanDerWaalsContact C-N 3.28Å; E324-S326 PolarHBondContact O-N 2.96Å; S326-R328 PolarHBondContact O-N 3.01Å
327K41.1Very low42.3Very low151 Ų151131.5 Ų131.566%0.65766%0.663SS**Hα-helixtrans-79.9-7.3177.8-77.1170.7-177.4160.10114.7D323 K329D323-K327 WeakPolarHBondContact O-CB 3.36Å; D323-K327 WeakPolarHBondContact O-CG 3.48Å; D323-K327 PolarHBondContact O-N 2.9Å; K327-K329 PolarHBondContact O-N 3.43Å
328R38.1Very low40.5Very low201 Ų201134.2 Ų134.276%0.75868%0.682SS**THydrogen-bonded Turntrans-78.76.2177.3-76.4178.9-171.7-175.75.8115.2E324 S326E324-R328 WeakPolarHBondContact O-CG 3.32Å; S326-R328 PolarHBondContact O-N 3.01Å
329K33Very low39Very low189 Ų189137.9 Ų137.982%0.82270%0.696SS**THydrogen-bonded Turntrans-12140.2179.1-70.7-169.7180177.20114.9K327K327-K329 PolarHBondContact O-N 3.43Å
330T29Very low37.6Very low130 Ų130146.1 Ų146.180%0.79873%0.734SS**SBendtrans-153.3119157.645.80000110.5
331E29.5Very low36Very low201 Ų201149 Ų14994%0.93974%0.744SS**  trans-69.3143.3-171.3-63-169.7148.300115.6
332G27.8Very low34.6Very low70 Ų70149.6 Ų149.672%0.72275%0.754SS**  87.1100.2111.400000120.3
333K28.3Very low33.4Very low218 Ų218150.8 Ų150.895%0.94877%0.769SS**  -170.1141.9123.1-116.3171.2178.41730113.2
334K28Very low32.2Very low197 Ų197150.4 Ų150.486%0.85779%0.786SS**  trans-71.7151.5-172.7-56.6173.1175.7177.50113.2
335T25.8Very low31.3Very low142 Ų142153.3 Ų153.387%0.87180%0.799SS**  -171.1121.3121.9280000114.5
336K28Very low30.8Very low207 Ų207155.7 Ų155.790%0.981%0.811SS**  trans13.1135149.7-60.4-179.4177.7-179.60124.4
337V29.3Very low30.4Very low128 Ų128157.8 Ų157.878%0.77682%0.823SS**  trans-53.3158.8162.3178.70000112.9K339V337-K339 HydrophobicContact CG1-CB 4.44Å
338P35.9Very low30.3Very low122 Ų122156.4 Ų156.479%0.79283%0.829SS**  -144.3145.653.734.2-9.6000118.8
339K30.6Very low30Very low192 Ų192154.9 Ų154.984%0.83583%0.831SS**  73.3110.975.9-145-176.8-163178.30114.6V337V337-K339 HydrophobicContact CG1-CB 4.44Å
340Q28.2Very low29.9Very low202 Ų202152.1 Ų152.194%0.94483%0.825SS**  trans-146.2139.5155.8-107.4179.6-22.600111.2
341K29.7Very low29.9Very low191 Ų191151.8 Ų151.883%0.8383%0.828SS**  trans-101.5147.3176-83.9178.1164.9-174.40108.6
342D26.1Very low30.2Very low150 Ų150149.6 Ų149.680%0.80282%0.823SS**  trans-173.3119.9139.5-104.6-30.4000107.2
343S26.3Very low31Very low109 Ų109151.3 Ų151.376%0.76282%0.824SS**  77.4128.774.879.30000113.6
344G26.7Very low31.6Very low81 Ų81148.9 Ų148.984%0.83582%0.821SS**  trans149.5112.8172.100000114.6
345E28.9Very low32.6Very low183 Ų183142.7 Ų142.786%0.85580%0.802SS**  trans-81.9152.7-174.1-71.7167.3133.400115.2
346T33.9Very low33.9Very low126 Ų126141.8 Ų141.877%0.77379%0.793SS**  trans48.2146.7149.361.70000123
347P33.9Very low34.9Very low124 Ų124139.3 Ų139.381%0.80579%0.788SS**  -135.8146.911935.5-24.6000113.2
348P38.6Very low36.5Very low122 Ų122139.8 Ų139.879%0.79279%0.786SS**  trans-95151.7162.634.8-28.1000112.6
349E32.8Very low37.8Very low168 Ų168139.1 Ų139.179%0.78577%0.773SS**  trans-60.8147176.1-86174.5119.400116.1
350N30.8Very low39.8Very low132 Ų132135.8 Ų135.871%0.70676%0.76SS**  trans61.4123135.6-57.9-24.4000121.9
351S29.4Very low42Very low123 Ų123128.9 Ų128.986%0.8674%0.738SS**  trans-15994.8144.9174.80000109.2
352D36.2Very low44.3Very low154 Ų154121.8 Ų121.882%0.82472%0.715SS**  trans-84.6140.3162.8-74.8-44.5000110.2
353S43.6Very low47Very low107 Ų107119.4 Ų119.475%0.74870%0.701SS**  trans157.892.6143.1-178.80000109.7
354D42Very low49.8Very low166 Ų166122.9 Ų122.989%0.88870%0.698SS**SBendtrans17411.2145-92.7-17.6000115.8
355S48.3Very low52.7Low67 Ų67125.1 Ų125.147%0.46969%0.685SS.*  trans-104.5-3.6-174.463.30000117.9L357 D358S355-L357 VanDerWaalsContact C-N 3.28Å; S355-L357 PolarHBondContact O-N 3.21Å; S355-L357 VanDerWaalsContact O-N 3.15Å; S355-D358 PolarHBondContact O-N 3.43Å
356D52.1Low55.4Low124 Ų124123.9 Ų123.966%0.66367%0.673SS**Hα-helixtrans-68.4-18.7-167.9-69.4-9000115.2
357L49.4Very low58Low154 Ų154124 Ų12481%0.80666%0.663SS**Hα-helixtrans-81.6-29.4-177.9-67.9173.8000113.7S355S355-L357 VanDerWaalsContact C-N 3.28Å; S355-L357 PolarHBondContact O-N 3.21Å; S355-L357 VanDerWaalsContact O-N 3.15Å
358D63Low60.5Low138 Ų138122.5 Ų122.574%0.73865%0.645SS**Hα-helixtrans-82.1-25.7176.6-91.7-16.5000111.9S355 A362S355-D358 PolarHBondContact O-N 3.43Å; D358-A362 WeakPolarHBondContact O-CB 3.35Å; D358-A362 PolarHBondContact O-N 2.94Å
359E63.4Low62.8Low109 Ų109119.6 Ų119.651%0.50963%0.625SS.*Hα-helixtrans-70.4-40.2177.8-71.3-174.2-169.800112.3A361 A362 L363E359-A361 VanDerWaalsContact C-N 3.34Å; E359-A361 PolarHBondContact O-N 3.06Å; E359-A362 PolarHBondContact O-N 3.08Å; E359-L363 WeakPolarHBondContact O-CB 3.3Å; E359-L363 WeakPolarHBondContact O-CG 3.27Å; E359-L363 PolarHBondContact O-N 2.84Å
360E73Confident65.3Low122 Ų122116.5 Ų116.557%0.5761%0.611SS**Hα-helixtrans-66-37.1175.7-72-165.9167.500112.5L363 R364E360-L363 PolarHBondContact O-N 2.9Å; E360-R364 WeakPolarHBondContact O-CG 3.41Å; E360-R364 PolarHBondContact O-N 2.92Å
361A74.7Confident67.8Low57 Ų57116 Ų11647%0.47160%0.604SS.*Hα-helixtrans-67.4-42.3175.600000111.5E359 R364 F365E359-A361 VanDerWaalsContact C-N 3.34Å; E359-A361 PolarHBondContact O-N 3.06Å; A361-R364 PolarHBondContact O-N 2.73Å; A361-F365 PolarHBondContact O-N 2.96Å
362A78.2Confident70.1Confident42 Ų42117.4 Ų117.435%0.34759%0.591SS.*Hα-helixtrans-62.1-43.5173.900000111.7D358 E359 R364 F365 Y366D358-A362 WeakPolarHBondContact O-CB 3.35Å; D358-A362 PolarHBondContact O-N 2.94Å; E359-A362 PolarHBondContact O-N 3.08Å; A362-R364 VanDerWaalsContact C-N 3.33Å; A362-R364 PolarHBondContact O-N 2.92Å; A362-F365 PolarHBondContact O-N 2.98Å; A362-Y366 HydrophobicContact CB-CE2 4.37Å; A362-Y366 WeakPolarHBondContact O-CD2 3.44Å; A362-Y366 PolarHBondContact O-N 3.27Å
363L82.5Confident72.1Confident99 Ų99113 Ų11352%0.51857%0.569SS.*Hα-helixtrans-63.6-35.9177.6-73.8170.5000112.7E359 E360 K367E359-L363 WeakPolarHBondContact O-CB 3.3Å; E359-L363 WeakPolarHBondContact O-CG 3.27Å; E359-L363 PolarHBondContact O-N 2.84Å; E360-L363 PolarHBondContact O-N 2.9Å; L363-K367 WeakPolarHBondContact O-CB 2.75Å; L363-K367 VanDerWaalsContact O-CG 3.25Å; L363-K367 WeakPolarHBondContact O-CG 3.15Å; L363-K367 PolarHBondContact O-N 3.02Å; L363-K367 VanDerWaalsContact O-N 3.08Å
364R84.1Confident73.7Confident182 Ų182113.3 Ų113.369%0.68756%0.557SS**Hα-helixtrans-68.3-41.9173.8-72.5-171.8-166.1-167.27.1112E360 A361 A362 K367 E368E360-R364 WeakPolarHBondContact O-CG 3.41Å; E360-R364 PolarHBondContact O-N 2.92Å; A361-R364 PolarHBondContact O-N 2.73Å; A362-R364 VanDerWaalsContact C-N 3.33Å; A362-R364 PolarHBondContact O-N 2.92Å; R364-K367 PolarHBondContact O-N 3.14Å; R364-E368 WeakPolarHBondContact O-CB 3.48Å; R364-E368 PolarHBondContact O-N 3.22Å
365F87.7Confident75Confident128 Ų128111.1 Ų111.156%0.56154%0.544SS*.Hα-helixtrans-61-45.5175.7178.1-99.5000112A361 A362 K367 E368 V369A361-F365 PolarHBondContact O-N 2.96Å; A362-F365 PolarHBondContact O-N 2.98Å; F365-K367 PolarHBondContact O-N 3.43Å; F365-E368 PolarHBondContact O-N 3.09Å; F365-V369 HydrophobicContact CD1-CG2 4.36Å; F365-V369 HydrophobicContact CE1-CG2 4.01Å; F365-V369 HydrophobicContact CE2-CG2 4.28Å; F365-V369 HydrophobicContact CZ-CG2 3.97Å; F365-V369 VanDerWaalsContact O-CG2 3.29Å; F365-V369 WeakPolarHBondContact O-CG2 3.36Å; F365-V369 PolarHBondContact O-N 3.12Å
366Y85.7Confident76.1Confident158 Ų158115.1 Ų115.162%0.6255%0.554SS**Hα-helixtrans-65.3-38.4177.3-73.8-63.5000112.8A362 V369 E370A362-Y366 HydrophobicContact CB-CE2 4.37Å; A362-Y366 WeakPolarHBondContact O-CD2 3.44Å; A362-Y366 PolarHBondContact O-N 3.27Å; Y366-V369 PolarHBondContact O-N 3.44Å; Y366-E370 WeakPolarHBondContact O-CB 3.45Å; Y366-E370 PolarHBondContact O-N 2.95Å
367K88.9Confident76.9Confident128 Ų128117.9 Ų117.956%0.55756%0.555SS**Hα-helixtrans-63.2-43.8173.7-76.1172.7-177.7177.40112L363 R364 F365 V369 E370 E371L363-K367 WeakPolarHBondContact O-CB 2.75Å; L363-K367 VanDerWaalsContact O-CG 3.25Å; L363-K367 WeakPolarHBondContact O-CG 3.15Å; L363-K367 PolarHBondContact O-N 3.02Å; L363-K367 VanDerWaalsContact O-N 3.08Å; R364-K367 PolarHBondContact O-N 3.14Å; F365-K367 PolarHBondContact O-N 3.43Å; K367-V369 PolarHBondContact O-N 2.99Å; K367-E370 WeakPolarHBondContact O-CB 3.41Å; K367-E370 PolarHBondContact O-N 3.45Å; K367-E371 WeakPolarHBondContact O-CG 3.46Å; K367-E371 PolarHBondContact O-N 3.32Å
368E85.5Confident77.6Confident93 Ų93117.8 Ų117.844%0.43555%0.548SS..Hα-helixtrans-66.1-38.3178.7-168.4178.3163.300112R364 F365 E371 R372R364-E368 WeakPolarHBondContact O-CB 3.48Å; R364-E368 PolarHBondContact O-N 3.22Å; F365-E368 PolarHBondContact O-N 3.09Å; E368-E371 PolarHBondContact O-N 3.41Å; E368-R372 WeakPolarHBondContact O-CG 3.48Å; E368-R372 PolarHBondContact O-N 3.21Å; E368-R372 IonicContact OE1-CZ 2.7Å; E368-R372 IonicContact OE1-NE 4Å; E368-R372 IonicContact OE1-NH2 2.69Å; E368-R372 PolarHBondContact OE1-NH2 3.49Å
369V88.3Confident77.5Confident61 Ų61114.9 Ų114.937%0.3754%0.538SS..Hα-helixtrans-64.8-41.2172.8171.50000111F365 Y366 K367 R372 V373F365-V369 HydrophobicContact CD1-CG2 4.36Å; F365-V369 HydrophobicContact CE1-CG2 4.01Å; F365-V369 HydrophobicContact CE2-CG2 4.28Å; F365-V369 HydrophobicContact CZ-CG2 3.97Å; F365-V369 VanDerWaalsContact O-CG2 3.29Å; F365-V369 WeakPolarHBondContact O-CG2 3.36Å; F365-V369 PolarHBondContact O-N 3.12Å; Y366-V369 PolarHBondContact O-N 3.44Å; K367-V369 PolarHBondContact O-N 2.99Å; V369-R372 PolarHBondContact O-N 3.25Å; V369-V373 VanDerWaalsContact O-CG2 3.29Å; V369-V373 WeakPolarHBondContact O-CG2 3.3Å; V369-V373 PolarHBondContact O-N 3.12Å
370E85.2Confident77.1Confident102 Ų102118.3 Ų118.348%0.47755%0.552SS.*Hα-helixtrans-63.3-41.3177.1-160.4-169.1160.600111.8Y366 K367 V373 K374Y366-E370 WeakPolarHBondContact O-CB 3.45Å; Y366-E370 PolarHBondContact O-N 2.95Å; K367-E370 WeakPolarHBondContact O-CB 3.41Å; K367-E370 PolarHBondContact O-N 3.45Å; E370-V373 PolarHBondContact O-N 3.13Å; E370-K374 VanDerWaalsContact CD-NZ 3.33Å; E370-K374 WeakPolarHBondContact O-CB 3.32Å; E370-K374 VanDerWaalsContact O-CG 3.3Å; E370-K374 WeakPolarHBondContact O-CG 3.42Å; E370-K374 PolarHBondContact O-N 3.38Å; E370-K374 WeakPolarHBondContact OE1-CE 3.25Å; E370-K374 IonicContact OE1-NZ 2.97Å; E370-K374 PolarHBondContact OE1-NZ 3.49Å; E370-K374 IonicContact OE2-NZ 2.83Å
371E83.1Confident75.8Confident122 Ų122116 Ų11657%0.5754%0.543SS*.Hα-helixtrans-64.9-43.6175.3-74.2177.2-178.400112.1K367 E368 V373 K374 L375K367-E371 WeakPolarHBondContact O-CG 3.46Å; K367-E371 PolarHBondContact O-N 3.32Å; E368-E371 PolarHBondContact O-N 3.41Å; E371-V373 VanDerWaalsContact C-N 3.31Å; E371-V373 PolarHBondContact O-N 3.19Å; E371-K374 PolarHBondContact O-N 2.7Å; E371-L375 WeakPolarHBondContact O-CG 3.03Å; E371-L375 PolarHBondContact O-N 3.39Å
372R77.3Confident74.6Confident153 Ų153117.2 Ų117.258%0.57755%0.546SS*.Hα-helixtrans-61.5-38.6174.5-73.2178.9-171.1-165.55112.2E368 V369 K376E368-R372 WeakPolarHBondContact O-CG 3.48Å; E368-R372 PolarHBondContact O-N 3.21Å; E368-R372 IonicContact OE1-CZ 2.7Å; E368-R372 IonicContact OE1-NE 4Å; E368-R372 IonicContact OE1-NH2 2.69Å; E368-R372 PolarHBondContact OE1-NH2 3.49Å; V369-R372 PolarHBondContact O-N 3.25Å; R372-K376 WeakPolarHBondContact O-CB 3.48Å; R372-K376 WeakPolarHBondContact O-CG 3.5Å; R372-K376 PolarHBondContact O-N 3.23Å
373V77.5Confident73Confident61 Ų61121.9 Ų121.937%0.3756%0.561SS.*Hα-helixtrans-69.3-39.1175.9172.40000111.2V369 E370 E371 K376 R377V369-V373 VanDerWaalsContact O-CG2 3.29Å; V369-V373 WeakPolarHBondContact O-CG2 3.3Å; V369-V373 PolarHBondContact O-N 3.12Å; E370-V373 PolarHBondContact O-N 3.13Å; E371-V373 VanDerWaalsContact C-N 3.31Å; E371-V373 PolarHBondContact O-N 3.19Å; V373-K376 PolarHBondContact O-N 2.7Å; V373-R377 WeakPolarHBondContact O-CB 3.39Å; V373-R377 WeakPolarHBondContact O-CG 3.45Å; V373-R377 PolarHBondContact O-N 3Å
374K77Confident71.4Confident113 Ų113119.4 Ų119.449%0.49156%0.555SS.*Hα-helixtrans-63.8-43.3174.7-75.8170.5-176.5166.10112E370 E371 R377 K378E370-K374 VanDerWaalsContact CD-NZ 3.33Å; E370-K374 WeakPolarHBondContact O-CB 3.32Å; E370-K374 VanDerWaalsContact O-CG 3.3Å; E370-K374 WeakPolarHBondContact O-CG 3.42Å; E370-K374 PolarHBondContact O-N 3.38Å; E370-K374 WeakPolarHBondContact OE1-CE 3.25Å; E370-K374 IonicContact OE1-NZ 2.97Å; E370-K374 PolarHBondContact OE1-NZ 3.49Å; E370-K374 IonicContact OE2-NZ 2.83Å; E371-K374 PolarHBondContact O-N 2.7Å; K374-R377 PolarHBondContact O-N 3.18Å; K374-K378 WeakPolarHBondContact O-CB 3.39Å; K374-K378 PolarHBondContact O-N 2.62Å
375L70.9Confident69.4Low120 Ų120116.9 Ų116.963%0.62855%0.554SS**Hα-helixtrans-63.5-43.6175.5-70.5171000111.6E371 R377 K378 S379E371-L375 WeakPolarHBondContact O-CG 3.03Å; E371-L375 PolarHBondContact O-N 3.39Å; L375-R377 VanDerWaalsContact C-N 3.32Å; L375-R377 PolarHBondContact O-N 3.43Å; L375-K378 PolarHBondContact O-N 3.39Å; L375-S379 PolarHBondContact O-N 3.12Å; L375-S379 PolarHBondContact O-OG 3.17Å
376K71.4Confident67.3Low152 Ų152116.9 Ų116.966%0.66156%0.556SS**Hα-helixtrans-64.7-32.1174.3-75.5-174.4177-167.90113.3R372 V373 S379 K380R372-K376 WeakPolarHBondContact O-CB 3.48Å; R372-K376 WeakPolarHBondContact O-CG 3.5Å; R372-K376 PolarHBondContact O-N 3.23Å; V373-K376 PolarHBondContact O-N 2.7Å; K376-S379 PolarHBondContact O-OG 3.31Å; K376-K380 WeakPolarHBondContact O-CB 3.19Å; K376-K380 PolarHBondContact O-N 2.88Å
377R68.4Low65.2Low181 Ų181117.2 Ų117.268%0.68356%0.563SS**Hα-helixtrans-72.7-37.3173.1-76.1176.8177.8179.60.1111.6V373 K374 L375 K380 N381V373-R377 WeakPolarHBondContact O-CB 3.39Å; V373-R377 WeakPolarHBondContact O-CG 3.45Å; V373-R377 PolarHBondContact O-N 3Å; K374-R377 PolarHBondContact O-N 3.18Å; L375-R377 VanDerWaalsContact C-N 3.32Å; L375-R377 PolarHBondContact O-N 3.43Å; R377-K380 PolarHBondContact O-N 2.92Å; R377-N381 WeakPolarHBondContact O-CB 3.31Å; R377-N381 PolarHBondContact O-N 3.16Å
378K64.6Low62.9Low153 Ų153117.6 Ų117.667%0.66557%0.571SS**Hα-helixtrans-71-36.1178.1-164.9169.2-178.2177.60112.4K374 L375K374-K378 WeakPolarHBondContact O-CB 3.39Å; K374-K378 PolarHBondContact O-N 2.62Å; L375-K378 PolarHBondContact O-N 3.39Å
379S60Low60.7Low77 Ų77120 Ų12054%0.53859%0.587SS.*Hα-helixtrans-74.5-26173.264.90000113.2L375 K376L375-S379 PolarHBondContact O-N 3.12Å; L375-S379 PolarHBondContact O-OG 3.17Å; K376-S379 PolarHBondContact O-OG 3.31Å
380K55.6Low58.3Low181 Ų181124.7 Ų124.779%0.78761%0.61SS**SBendtrans-94.2-3-179-152.2173.9-166.3-1790113.6K376 R377 P382K376-K380 WeakPolarHBondContact O-CB 3.19Å; K376-K380 PolarHBondContact O-N 2.88Å; R377-K380 PolarHBondContact O-N 2.92Å; K380-P382 VanDerWaalsContact O-CD 3.25Å; K380-P382 WeakPolarHBondContact O-CD 3.5Å
381N44.3Very low56.5Low72 Ų72127.2 Ų127.239%0.38563%0.627SS.*  trans-96.899.5171.2-157.136000109R377 E383R377-N381 WeakPolarHBondContact O-CB 3.31Å; R377-N381 PolarHBondContact O-N 3.16Å; N381-E383 PolarHBondContact O-N 3.37Å
382P49.5Very low54.7Low84 Ų84131 Ų13155%0.54565%0.645SS.*THydrogen-bonded Turntrans-64.4-22.1177.227-33.4000112.2K380 A384 L385 E386K380-P382 VanDerWaalsContact O-CD 3.25Å; K380-P382 WeakPolarHBondContact O-CD 3.5Å; P382-A384 VanDerWaalsContact C-N 3.28Å; P382-A384 PolarHBondContact O-N 3.22Å; P382-L385 PolarHBondContact O-N 2.8Å; P382-L385 VanDerWaalsContact O-N 3.13Å; P382-E386 PolarHBondContact O-N 3.16Å
383E46.4Very low53.1Low140 Ų140126.8 Ų126.865%0.65465%0.649SS**Hα-helixtrans-67.7-20.3-175.3-147.3167.7-159.500114N381N381-E383 PolarHBondContact O-N 3.37Å
384A47.1Very low51.7Low47 Ų47132.1 Ų132.139%0.38868%0.675SS.*Hα-helixtrans-90.8-9.3176.200000113.7P382P382-A384 VanDerWaalsContact C-N 3.28Å; P382-A384 PolarHBondContact O-N 3.22Å
385L43.5Very low50.7Low128 Ų128134.6 Ų134.667%0.6769%0.688SS**Hα-helixtrans-95.6-24.3171.1-85.1147.1000111.2P382P382-L385 PolarHBondContact O-N 2.8Å; P382-L385 VanDerWaalsContact O-N 3.13Å
386E43.7Very low49.9Very low128 Ų128138.2 Ų138.260%0.59870%0.702SS**Hα-helixtrans-74.8-20.7175.5-73.4-178.1169.500113.7P382 N388 D389P382-E386 PolarHBondContact O-N 3.16Å; E386-N388 PolarHBondContact O-N 2.96Å; E386-N388 VanDerWaalsContact O-N 3.1Å; E386-D389 PolarHBondContact O-N 3.49Å
387E40.7Very low49.3Very low166 Ų166138.2 Ų138.278%0.77671%0.709SS**THydrogen-bonded Turntrans-74.32.5180-148.1177.9-164.300114.1
388N40.8Very low49Very low136 Ų136136 Ų13673%0.72771%0.71SS**THydrogen-bonded Turntrans-115.29.5175.6-67.3-79.9000114.4E386E386-N388 PolarHBondContact O-N 2.96Å; E386-N388 VanDerWaalsContact O-N 3.1Å
389D39.8Very low48.9Very low144 Ų144138.4 Ų138.477%0.7772%0.724SS**SBendtrans-116.114-179.2-87.8-33.6000114.3E386E386-D389 PolarHBondContact O-N 3.49Å
390D38.5Very low49.2Very low159 Ų159142.7 Ų142.785%0.8574%0.74SS**SBendtrans-103.912.2176.8-80.5-36.5000114.6
391D46.8Very low50.2Low154 Ų154137.2 Ų137.282%0.82473%0.729SS**  trans-124.554.2177.7-162.750.2000113.4
392E44.3Very low52.2Low203 Ų203143.5 Ų143.595%0.94975%0.753SS**SBendtrans-140.296.7157.9-77.4-165.3163.100111.9
393G44.8Very low53.9Low64 Ų64151.2 Ų151.266%0.6677%0.771SS**  trans121.748.114200000118.7E395G393-E395 PolarHBondContact O-N 2.96Å
394D46.6Very low56Low173 Ų173147.8 Ų147.893%0.92577%0.773SS**  trans-72.472.6144.3-101.2-13.6000107.7E396D394-E396 PolarHBondContact O-N 3.41Å
395E57.3Low58.1Low164 Ų164151.5 Ų151.577%0.76679%0.785SS**  trans-61118.5164-78.6-176.5166.400107.1G393 L397G393-E395 PolarHBondContact O-N 2.96Å; E395-L397 PolarHBondContact O-N 3.24Å
396E54.6Low60.4Low196 Ų196148.6 Ų148.692%0.91677%0.773SS**  trans-46.6100170.7-72.3-179.2151.100109.4D394 D398D394-E396 PolarHBondContact O-N 3.41Å; E396-D398 PolarHBondContact O-N 3.3Å
397L58.4Low62.7Low153 Ų153149.6 Ų149.680%0.80177%0.772SS**  trans-69.8102.9176.1-68.7176000107.7E395 Q399E395-L397 PolarHBondContact O-N 3.24Å; L397-Q399 PolarHBondContact O-N 3.21Å; L397-Q399 VanDerWaalsContact O-N 3.09Å
398D60.8Low65.1Low134 Ų134149.5 Ų149.572%0.71777%0.772SS**  trans-41.5116.9167-101.6-21.5000109.4E396 D400 A401E396-D398 PolarHBondContact O-N 3.3Å; D398-D400 PolarHBondContact O-N 3.08Å; D398-A401 HydrophobicContact CB-CB 4.06Å; D398-A401 WeakPolarHBondContact O-CB 3.28Å; D398-A401 PolarHBondContact O-N 3.46Å
399Q63.3Low67.4Low204 Ų204148.8 Ų148.895%0.95377%0.766SS**THydrogen-bonded Turntrans-63.7-11.8-172.1-65.9176.22700113.4L397L397-Q399 PolarHBondContact O-N 3.21Å; L397-Q399 VanDerWaalsContact O-N 3.09Å
400D65.5Low70.1Confident166 Ų166144.5 Ų144.589%0.88875%0.75SS**THydrogen-bonded Turntrans-103.60.2178.7-128.7-2.5000113.4D398D398-D400 PolarHBondContact O-N 3.08Å
401A78.4Confident72.7Confident66 Ų66142.8 Ų142.855%0.54574%0.735SS.*SBendtrans-83.6123.7178.800000111.6D398 R403D398-A401 HydrophobicContact CB-CB 4.06Å; D398-A401 WeakPolarHBondContact O-CB 3.28Å; D398-A401 PolarHBondContact O-N 3.46Å; A401-R403 PolarHBondContact O-N 2.94Å
402K84.5Confident75Confident205 Ų205141.8 Ų141.889%0.89173%0.73SS**PPolyproline II helixtrans-61.3124.2172.9-67.4177.2-177.1174.20109.4G404K402-G404 PolarHBondContact O-N 3.4Å; K402-G404 VanDerWaalsContact O-N 3.14Å
403R85.6Confident77.1Confident245 Ų245137.9 Ų137.993%0.92571%0.71SS**PPolyproline II helixtrans-56118.7176-62.8-177.6-177.2-164.2-1.5110.1A401A401-R403 PolarHBondContact O-N 2.94Å
404G89.9Confident79.4Confident68 Ų68138.1 Ų138.170%0.70171%0.712SS**PPolyproline II helixtrans-66.1154.1172.400000111.5K402K402-G404 PolarHBondContact O-N 3.4Å; K402-G404 VanDerWaalsContact O-N 3.14Å
405I92.2Very high81.6Confident125 Ų125138.8 Ų138.864%0.64172%0.715SS**PPolyproline II helixtrans-68.5133170.2-173.6171.1000109.7M409 A410I405-M409 HydrophobicContact CD1-CB 4.04Å; I405-M409 HydrophobicContact CG1-CB 3.68Å; I405-A410 HydrophobicContact CD1-CB 4.16Å; I405-A410 HydrophobicContact CG1-CB 4.31Å; I405-A410 HydrophobicContact CG2-CB 4.43Å
406T92.4Very high83.2Confident67 Ų67135 Ų13541%0.41170%0.703SS.*PPolyproline II helixtrans-71.5153.3177.468.20000110.9Q408 M409 A410T406-Q408 PolarHBondContact O-N 3.48Å; T406-M409 PolarHBondContact O-N 3.41Å; T406-M409 VanDerWaalsContact O-N 3.15Å; T406-M409 VanDerWaalsContact OG1-CG 3.26Å; T406-M409 WeakPolarHBondContact OG1-CG 3.47Å; T406-M409 PolarHBondContact OG1-N 2.91Å; T406-A410 WeakPolarHBondContact O-CB 3.36Å; T406-A410 PolarHBondContact O-N 3.34Å
407Y91.3Very high85.1Confident149 Ų149130.7 Ų130.758%0.58469%0.692SS**Hα-helixtrans-58.5-34.7178.6-178.1-97.6000112.7A410 K411 K413Y407-A410 PolarHBondContact O-N 3.2Å; Y407-K411 HydrophobicContact CD1-CG 4.36Å; Y407-K411 HydrophobicContact CD2-CG 4.08Å; Y407-K411 HydrophobicContact CE1-CB 4.48Å; Y407-K411 HydrophobicContact CE1-CG 3.96Å; Y407-K411 HydrophobicContact CE2-CD 4.44Å; Y407-K411 HydrophobicContact CE2-CG 3.67Å; Y407-K411 HydrophobicContact CG-CG 4.42Å; Y407-K411 WeakPolarHBondContact O-CB 3.36Å; Y407-K411 PolarHBondContact O-N 2.91Å; Y407-K413 PolarHBondContact OH-NZ 2.96Å
408Q91.4Very high86.8Confident164 Ų164133.7 Ų133.777%0.76670%0.699SS**Hα-helixtrans-61.7-48.9176.7-65.1-179.8-1.900111T406 K411 N412T406-Q408 PolarHBondContact O-N 3.48Å; Q408-K411 PolarHBondContact O-N 3.48Å; Q408-N412 PolarHBondContact O-N 2.81Å
409M89.8Confident88.3Confident122 Ų122136.4 Ų136.460%0.60170%0.699SS**Hα-helixtrans-68-33.8176.8-67.3174.2-176.900112.4I405 T406 N412I405-M409 HydrophobicContact CD1-CB 4.04Å; I405-M409 HydrophobicContact CG1-CB 3.68Å; T406-M409 PolarHBondContact O-N 3.41Å; T406-M409 VanDerWaalsContact O-N 3.15Å; T406-M409 VanDerWaalsContact OG1-CG 3.26Å; T406-M409 WeakPolarHBondContact OG1-CG 3.47Å; T406-M409 PolarHBondContact OG1-N 2.91Å; M409-N412 PolarHBondContact O-ND2 3.5Å; M409-N412 PolarHBondContact O-OD1 3.47Å
410A94.5Very high89.8Confident54 Ų54134 Ų13445%0.44669%0.685SS.*Hα-helixtrans-72.4-32.7179.600000112.9I405 T406 Y407I405-A410 HydrophobicContact CD1-CB 4.16Å; I405-A410 HydrophobicContact CG1-CB 4.31Å; I405-A410 HydrophobicContact CG2-CB 4.43Å; T406-A410 WeakPolarHBondContact O-CB 3.36Å; T406-A410 PolarHBondContact O-N 3.34Å; Y407-A410 PolarHBondContact O-N 3.2Å
411K95Very high91.2Very high123 Ų123134.4 Ų134.454%0.53568%0.679SS.*Hα-helixtrans-102.3-18.7-176.5-64.5-57.8-175.4-171.80114.7Y407 Q408 K413Y407-K411 HydrophobicContact CD1-CG 4.36Å; Y407-K411 HydrophobicContact CD2-CG 4.08Å; Y407-K411 HydrophobicContact CE1-CB 4.48Å; Y407-K411 HydrophobicContact CE1-CG 3.96Å; Y407-K411 HydrophobicContact CE2-CD 4.44Å; Y407-K411 HydrophobicContact CE2-CG 3.67Å; Y407-K411 HydrophobicContact CG-CG 4.42Å; Y407-K411 WeakPolarHBondContact O-CB 3.36Å; Y407-K411 PolarHBondContact O-N 2.91Å; Q408-K411 PolarHBondContact O-N 3.48Å; K411-K413 HydrophobicContact CB-CD 4.22Å; K411-K413 HydrophobicContact CB-CG 3.93Å; K411-K413 PolarHBondContact O-N 3.3Å
412N93.5Very high91.9Very high133 Ų133134 Ų13471%0.71167%0.667SS**  trans4244.4177.6-68.4-30.3000113.3Q408 M409 G414Q408-N412 PolarHBondContact O-N 2.81Å; M409-N412 PolarHBondContact O-ND2 3.5Å; M409-N412 PolarHBondContact O-OD1 3.47Å; N412-G414 VanDerWaalsContact C-N 3.29Å; N412-G414 PolarHBondContact O-N 3.21Å
413K90Very high92.3Very high121 Ų121127.5 Ų127.553%0.52664%0.642SS.*  trans-72.3-23.3-176.9-69174.9-177.9174.30112.5Y407 K411 T416Y407-K413 PolarHBondContact OH-NZ 2.96Å; K411-K413 HydrophobicContact CB-CD 4.22Å; K411-K413 HydrophobicContact CB-CG 3.93Å; K411-K413 PolarHBondContact O-N 3.3Å; K413-T416 VanDerWaalsContact O-CG2 3.3Å; K413-T416 WeakPolarHBondContact O-CG2 3.4Å
414G92.2Very high92.7Very high68 Ų68125.5 Ų125.570%0.70163%0.634SS**  trans65.9-159.6-177.800000113.3N412 T416N412-G414 VanDerWaalsContact C-N 3.29Å; N412-G414 PolarHBondContact O-N 3.21Å; G414-T416 VanDerWaalsContact C-N 3.35Å; G414-T416 PolarHBondContact O-N 2.93Å; G414-T416 VanDerWaalsContact O-N 3.11Å
415L92.9Very high93Very high187 Ų187125.4 Ų125.498%0.97962%0.618SS**SBendtrans-84.170.6-179.9-71153.1000110.9
416T91.3Very high93.2Very high85 Ų85123.5 Ų123.552%0.52161%0.614SS.*PPolyproline II helixtrans-87.9138.9175.556.10000112K413 G414K413-T416 VanDerWaalsContact O-CG2 3.3Å; K413-T416 WeakPolarHBondContact O-CG2 3.4Å; G414-T416 VanDerWaalsContact C-N 3.35Å; G414-T416 PolarHBondContact O-N 2.93Å; G414-T416 VanDerWaalsContact O-N 3.11Å
417P94.4Very high93.5Very high106 Ų106128.4 Ų128.469%0.68863%0.625SS**PPolyproline II helixtrans-57.1148.1173.3-24.933.5000112.9R419P417-R419 PolarHBondContact O-N 2.85Å
418K94.5Very high93.7Very high216 Ų216122.7 Ų122.794%0.93961%0.605SS**PPolyproline II helixtrans-63.7117.4177-173.8178.1179179.20110.2
419R91.8Very high94Very high190 Ų190119.5 Ų119.572%0.71759%0.589SS**PPolyproline II helixtrans-96.8142.2175.7-61.3-178.5-177.1168.71110.9P417P417-R419 PolarHBondContact O-N 2.85Å
420K94.5Very high94.4Very high153 Ų153119.4 Ų119.467%0.66559%0.587SS**PPolyproline II helixtrans-65.1151.6178.1-60.6-177.1179.6-174.90110.5I422 D423K420-I422 PolarHBondContact O-N 3.25Å; K420-D423 PolarHBondContact O-N 2.86Å; K420-D423 VanDerWaalsContact O-N 3.11Å
421K94.4Very high94.5Very high175 Ų175123.9 Ų123.976%0.76159%0.592SS**G310 helixtrans-59.8-34.3178.5-171.2176.3179.6179.90112.1D423 R424K421-D423 VanDerWaalsContact C-N 3.28Å; K421-D423 PolarHBondContact O-N 2.97Å; K421-R424 VanDerWaalsContact O-CB 3.28Å; K421-R424 WeakPolarHBondContact O-CB 3.26Å; K421-R424 WeakPolarHBondContact O-CG 3.46Å; K421-R424 PolarHBondContact O-N 2.99Å; K421-R424 VanDerWaalsContact O-N 3.13Å
422I93.4Very high94.6Very high57 Ų57120.8 Ų120.829%0.29258%0.579SS.*G310 helixtrans-62.4-35.6178.4-59.3150.1000111.4K420 R424 N425 V428 K429 E432K420-I422 PolarHBondContact O-N 3.25Å; I422-R424 PolarHBondContact O-N 2.95Å; I422-N425 PolarHBondContact O-N 3.45Å; I422-V428 HydrophobicContact CG2-CG1 4.44Å; I422-K429 VanDerWaalsContact CG2-CA 3.42Å; I422-K429 HydrophobicContact CG2-CB 3.78Å; I422-K429 HydrophobicContact CG2-CG 4.2Å; I422-E432 WeakPolarHBondContact CD1-OE2 3.42Å; I422-E432 VanDerWaalsContact CG1-OE2 3.28Å; I422-E432 WeakPolarHBondContact CG1-OE2 3.43Å; I422-E432 WeakPolarHBondContact CG2-OE2 3.45Å
423D92.8Very high94.8Very high70 Ų70121.4 Ų121.437%0.37458%0.576SS.*G310 helixtrans-72.1-12.6179.3-64.7-49.1000113.1K420 K421 N425 K429K420-D423 PolarHBondContact O-N 2.86Å; K420-D423 VanDerWaalsContact O-N 3.11Å; K421-D423 VanDerWaalsContact C-N 3.28Å; K421-D423 PolarHBondContact O-N 2.97Å; D423-N425 VanDerWaalsContact C-N 3.3Å; D423-K429 WeakPolarHBondContact OD1-CD 3.43Å; D423-K429 VanDerWaalsContact OD1-CE 3.24Å; D423-K429 WeakPolarHBondContact OD1-CE 3.48Å; D423-K429 IonicContact OD1-NZ 3.63Å; D423-K429 PolarHBondContact OD1-NZ 2.95Å
424R94.4Very high95.1Very high202 Ų202122.7 Ų122.776%0.76258%0.582SS**G310 helixtrans-71.9-25.9174-57.9-178.3-179-170.51.2112.1K421 I422K421-R424 VanDerWaalsContact O-CB 3.28Å; K421-R424 WeakPolarHBondContact O-CB 3.26Å; K421-R424 WeakPolarHBondContact O-CG 3.46Å; K421-R424 PolarHBondContact O-N 2.99Å; K421-R424 VanDerWaalsContact O-N 3.13Å; I422-R424 PolarHBondContact O-N 2.95Å
425N95.9Very high95.4Very high66 Ų66126.8 Ų126.835%0.35358%0.576SS.*  trans-127.3109.2-178.8-172.1-25.8000110.9I422 D423 R427 V428 K429I422-N425 PolarHBondContact O-N 3.45Å; D423-N425 VanDerWaalsContact C-N 3.3Å; N425-R427 PolarHBondContact O-N 3.42Å; N425-R427 WeakPolarHBondContact OD1-CB 3.28Å; N425-R427 PolarHBondContact OD1-N 2.88Å; N425-V428 HydrophobicContact CB-CB 4.22Å; N425-V428 HydrophobicContact CB-CG2 3.96Å; N425-V428 PolarHBondContact O-N 3.32Å; N425-V428 VanDerWaalsContact O-N 3.12Å; N425-K429 PolarHBondContact O-N 2.95Å; N425-K429 VanDerWaalsContact O-N 3.14Å
426P97.3Very high95.5Very high85 Ų85125.6 Ų125.655%0.55256%0.558SS**Hα-helixtrans-60-34.3-175.724.6-33.6000112.2V428 K429 H430P426-V428 PolarHBondContact O-N 3.5Å; P426-K429 WeakPolarHBondContact O-CB 3.35Å; P426-K429 PolarHBondContact O-N 2.85Å; P426-H430 PolarHBondContact O-CD2 2.88Å; P426-H430 PolarHBondContact O-N 3.13Å
427R97.3Very high95.7Very high170 Ų170123.6 Ų123.664%0.64255%0.551SS**Hα-helixtrans-63.8-43.5179-171.2-179.369.5103.4-2.6111.9N425 H430 R431N425-R427 PolarHBondContact O-N 3.42Å; N425-R427 WeakPolarHBondContact OD1-CB 3.28Å; N425-R427 PolarHBondContact OD1-N 2.88Å; R427-H430 PolarHBondContact O-N 3.36Å; R427-R431 WeakPolarHBondContact O-CB 3.25Å; R427-R431 PolarHBondContact O-N 3.25Å
428V97.3Very high95.7Very high30 Ų30123.7 Ų123.718%0.18254%0.54CS..Hα-helixtrans-67.3-42.1179.8-179.60000109.9I422 N425 P426 H430 R431 E432I422-V428 HydrophobicContact CG2-CG1 4.44Å; N425-V428 HydrophobicContact CB-CB 4.22Å; N425-V428 HydrophobicContact CB-CG2 3.96Å; N425-V428 PolarHBondContact O-N 3.32Å; N425-V428 VanDerWaalsContact O-N 3.12Å; P426-V428 PolarHBondContact O-N 3.5Å; V428-H430 PolarHBondContact O-N 3.36Å; V428-R431 PolarHBondContact O-N 3.43Å; V428-E432 PolarHBondContact O-N 3.09Å
429K97.5Very high95.6Very high96 Ų96118 Ų11842%0.41752%0.519SS..Hα-helixtrans-56.4-47.9173.9-173.4175.1-177.8159.80112.9I422 D423 N425 P426 E432 K433I422-K429 VanDerWaalsContact CG2-CA 3.42Å; I422-K429 HydrophobicContact CG2-CB 3.78Å; I422-K429 HydrophobicContact CG2-CG 4.2Å; D423-K429 WeakPolarHBondContact OD1-CD 3.43Å; D423-K429 VanDerWaalsContact OD1-CE 3.24Å; D423-K429 WeakPolarHBondContact OD1-CE 3.48Å; D423-K429 IonicContact OD1-NZ 3.63Å; D423-K429 PolarHBondContact OD1-NZ 2.95Å; N425-K429 PolarHBondContact O-N 2.95Å; N425-K429 VanDerWaalsContact O-N 3.14Å; P426-K429 WeakPolarHBondContact O-CB 3.35Å; P426-K429 PolarHBondContact O-N 2.85Å; K429-E432 PolarHBondContact O-N 3.4Å; K429-K433 VanDerWaalsContact O-CB 3.31Å; K429-K433 WeakPolarHBondContact O-CB 3.32Å; K429-K433 PolarHBondContact O-N 3.42Å
430H97.4Very high95.7Very high120 Ų120116.3 Ų116.356%0.55651%0.513SS*.Hα-helixtrans-68.2-37.7179.7-72.1-59.9000112.7P426 R427 V428 K433 F434P426-H430 PolarHBondContact O-CD2 2.88Å; P426-H430 PolarHBondContact O-N 3.13Å; R427-H430 PolarHBondContact O-N 3.36Å; V428-H430 PolarHBondContact O-N 3.36Å; H430-K433 PolarHBondContact O-N 3.4Å; H430-F434 WeakPolarHBondContact O-CB 3.41Å; H430-F434 PolarHBondContact O-N 3.26Å
431R97.1Very high95.7Very high149 Ų149117.9 Ų117.956%0.56252%0.515SS*.Hα-helixtrans-60.6-46.7174.7-173.4-178.269.7-171.73.7111.9R427 V428 F434 R435R427-R431 WeakPolarHBondContact O-CB 3.25Å; R427-R431 PolarHBondContact O-N 3.25Å; V428-R431 PolarHBondContact O-N 3.43Å; R431-F434 PolarHBondContact O-N 3.45Å; R431-R435 PolarHBondContact O-N 2.93Å
432E97.1Very high95.4Very high57 Ų57116.8 Ų116.827%0.26651%0.505SS..Hα-helixtrans-69.7-38.8178.4-74.4178-166.400112.6I422 V428 K429 F434 R435 R436I422-E432 WeakPolarHBondContact CD1-OE2 3.42Å; I422-E432 VanDerWaalsContact CG1-OE2 3.28Å; I422-E432 WeakPolarHBondContact CG1-OE2 3.43Å; I422-E432 WeakPolarHBondContact CG2-OE2 3.45Å; V428-E432 PolarHBondContact O-N 3.09Å; K429-E432 PolarHBondContact O-N 3.4Å; E432-F434 VanDerWaalsContact C-N 3.28Å; E432-F434 PolarHBondContact O-N 3.12Å; E432-R435 PolarHBondContact O-N 3.28Å; E432-R436 WeakPolarHBondContact O-CB 3.41Å; E432-R436 WeakPolarHBondContact O-CG 3.45Å; E432-R436 PolarHBondContact O-N 3.36Å
433K97.3Very high95.1Very high147 Ų147117.6 Ų117.664%0.63953%0.528SS*.Hα-helixtrans-57.9-44173.5-173179.5-179.8-177.20110.8K429 H430 A437K429-K433 VanDerWaalsContact O-CB 3.31Å; K429-K433 WeakPolarHBondContact O-CB 3.32Å; K429-K433 PolarHBondContact O-N 3.42Å; H430-K433 PolarHBondContact O-N 3.4Å; K433-A437 WeakPolarHBondContact O-CB 3.5Å; K433-A437 PolarHBondContact O-N 3.22Å
434F97.2Very high95Very high148 Ų148122.2 Ų122.265%0.64955%0.547SS*.Hα-helixtrans-64.5-46.3176.1-179.3-102.6000112.1H430 R431 E432 R436 A437 K438H430-F434 WeakPolarHBondContact O-CB 3.41Å; H430-F434 PolarHBondContact O-N 3.26Å; R431-F434 PolarHBondContact O-N 3.45Å; E432-F434 VanDerWaalsContact C-N 3.28Å; E432-F434 PolarHBondContact O-N 3.12Å; F434-R436 PolarHBondContact O-N 3.04Å; F434-A437 PolarHBondContact O-N 3.12Å; F434-K438 PolarHBondContact O-N 2.84Å
435R96.8Very high94.7Very high153 Ų153116.7 Ų116.758%0.57754%0.536SS*.Hα-helixtrans-55.2-50.6175.5-172.4-177.272.8107.7-3.6111.5R431 E432 A437 K438 I439R431-R435 PolarHBondContact O-N 2.93Å; E432-R435 PolarHBondContact O-N 3.28Å; R435-A437 VanDerWaalsContact C-N 3.33Å; R435-A437 PolarHBondContact O-N 2.99Å; R435-K438 PolarHBondContact O-N 3.34Å; R435-I439 HydrophobicContact CG-CD1 4.3Å; R435-I439 WeakPolarHBondContact O-CG1 3.28Å; R435-I439 PolarHBondContact O-N 3.25Å; R435-I439 VanDerWaalsContact O-N 3.08Å
436R96.3Very high94.3Very high162 Ų162119.8 Ų119.861%0.61155%0.549SS*.Hα-helixtrans-62.7-38.4178.7-69.1178.575.2-172.84.2112.3E432 F434 R440E432-R436 WeakPolarHBondContact O-CB 3.41Å; E432-R436 WeakPolarHBondContact O-CG 3.45Å; E432-R436 PolarHBondContact O-N 3.36Å; F434-R436 PolarHBondContact O-N 3.04Å; R436-R440 PolarHBondContact O-N 2.97Å
437A95.7Very high93.7Very high43 Ų43119 Ų11936%0.35555%0.545SS..Hα-helixtrans-65.8-39.5175.500000112.1K433 F434 R435 R440 R441K433-A437 WeakPolarHBondContact O-CB 3.5Å; K433-A437 PolarHBondContact O-N 3.22Å; F434-A437 PolarHBondContact O-N 3.12Å; R435-A437 VanDerWaalsContact C-N 3.33Å; R435-A437 PolarHBondContact O-N 2.99Å; A437-R440 PolarHBondContact O-N 2.92Å; A437-R441 WeakPolarHBondContact O-CB 3.44Å; A437-R441 PolarHBondContact O-N 3Å
438K94.2Very high93.2Very high109 Ų109117.7 Ų117.747%0.47456%0.555SS.*Hα-helixtrans-63.6-42.5176.8-167.1175-178.3178.70111.7F434 R435 R441 R442F434-K438 PolarHBondContact O-N 2.84Å; R435-K438 PolarHBondContact O-N 3.34Å; K438-R441 PolarHBondContact O-N 2.77Å; K438-R442 WeakPolarHBondContact O-CG 3.41Å; K438-R442 PolarHBondContact O-N 2.78Å; K438-R442 VanDerWaalsContact O-N 3.12Å
439I92.7Very high92.6Very high96 Ų96124.3 Ų124.349%0.49258%0.577SS.*Hα-helixtrans-62.3-49.8175.3-64.4165.9000110.6R435 R441 R442 G443R435-I439 HydrophobicContact CG-CD1 4.3Å; R435-I439 WeakPolarHBondContact O-CG1 3.28Å; R435-I439 PolarHBondContact O-N 3.25Å; R435-I439 VanDerWaalsContact O-N 3.08Å; I439-R441 VanDerWaalsContact C-N 3.31Å; I439-R441 PolarHBondContact O-N 2.98Å; I439-R442 WeakPolarHBondContact O-CB 3.11Å; I439-R442 PolarHBondContact O-N 3Å; I439-R442 VanDerWaalsContact O-N 3.13Å; I439-G443 PolarHBondContact O-N 2.89Å
440R94.3Very high92Very high155 Ų155126.6 Ų126.659%0.58559%0.587SS**Hα-helixtrans-58.7-41.8178.5-170-176.5-59.698.91.8112.5R436 A437 R442 G443 Q444R436-R440 PolarHBondContact O-N 2.97Å; A437-R440 PolarHBondContact O-N 2.92Å; R440-R442 VanDerWaalsContact C-N 3.35Å; R440-R442 PolarHBondContact O-N 3.1Å; R440-G443 PolarHBondContact O-N 3.41Å; R440-Q444 PolarHBondContact O-N 2.96Å
441R92.6Very high91.4Very high186 Ų186128.3 Ų128.370%0.70260%0.595SS**Hα-helixtrans-62.2-41.6177.4-173.3-178.1178.9-168.50.4111.7A437 K438 I439 G443 Q444 V445A437-R441 WeakPolarHBondContact O-CB 3.44Å; A437-R441 PolarHBondContact O-N 3Å; K438-R441 PolarHBondContact O-N 2.77Å; I439-R441 VanDerWaalsContact C-N 3.31Å; I439-R441 PolarHBondContact O-N 2.98Å; R441-G443 VanDerWaalsContact C-N 3.26Å; R441-G443 PolarHBondContact O-N 2.99Å; R441-Q444 PolarHBondContact O-N 2.63Å; R441-Q444 VanDerWaalsContact O-N 3.16Å; R441-V445 PolarHBondContact O-N 2.91Å; R441-V445 VanDerWaalsContact O-O 3.12Å
442R89.4Confident90.9Very high151 Ų151128.5 Ų128.557%0.5760%0.602SS**Hα-helixtrans-61.3-33.7176.8-74.4175.3173.6-177.4-5112.6K438 I439 R440K438-R442 WeakPolarHBondContact O-CG 3.41Å; K438-R442 PolarHBondContact O-N 2.78Å; K438-R442 VanDerWaalsContact O-N 3.12Å; I439-R442 WeakPolarHBondContact O-CB 3.11Å; I439-R442 PolarHBondContact O-N 3Å; I439-R442 VanDerWaalsContact O-N 3.13Å; R440-R442 VanDerWaalsContact C-N 3.35Å; R440-R442 PolarHBondContact O-N 3.1Å
443G87.2Confident90.5Very high75 Ų75131.3 Ų131.377%0.77362%0.624SS**Hα-helixtrans-70.7-33.7174.300000113.8I439 R440 R441I439-G443 PolarHBondContact O-N 2.89Å; R440-G443 PolarHBondContact O-N 3.41Å; R441-G443 VanDerWaalsContact C-N 3.26Å; R441-G443 PolarHBondContact O-N 2.99Å
444Q89.3Confident90.2Very high166 Ų166135.7 Ų135.778%0.77664%0.636SS**Hα-helixtrans-84.3-42.5-178.5-172.3179.1-4.900113R440 R441R440-Q444 PolarHBondContact O-N 2.96Å; R441-Q444 PolarHBondContact O-N 2.63Å; R441-Q444 VanDerWaalsContact O-N 3.16Å
445V89.4Confident89.9Confident86 Ų86135.3 Ų135.352%0.52163%0.632SS.*SBendtrans-129.8124.2-178.1-177.30000108.2R441 S447R441-V445 PolarHBondContact O-N 2.91Å; R441-V445 VanDerWaalsContact O-O 3.12Å; V445-S447 PolarHBondContact O-N 3.32Å
446Q86.4Confident89.5Confident132 Ų132132.1 Ų132.162%0.61765%0.646SS**PPolyproline II helixtrans-66124.6175.7-167169.3400109
447S84.8Confident89.2Confident67 Ų67126.3 Ų126.347%0.46964%0.637SS.*PPolyproline II helixtrans-71.2148173.154.50000110.3V445 R449V445-S447 PolarHBondContact O-N 3.32Å; S447-R449 PolarHBondContact O-N 3.26Å
448V87.3Confident88.9Confident143 Ų143129.7 Ų129.787%0.86765%0.645SS**PPolyproline II helixtrans-57.8130173-176.20000109.3
449R83.9Confident88.6Confident169 Ų169129.2 Ų129.264%0.63866%0.662SS**  trans-106.6136175.2-68.9-179.5175162.3-5.1108.5S447S447-R449 PolarHBondContact O-N 3.26Å
450K86.1Confident88.3Confident145 Ų145129.6 Ų129.663%0.6367%0.673SS**  trans-95.7139.1170-63.9-178.2-179.1179.30108.5S82 E452S82-K450 PolarHBondContact O-NZ 3.37Å; K450-E452 PolarHBondContact O-N 3.27Å
451E84.9Confident88.2Confident156 Ų156124.5 Ų124.573%0.72967%0.669SS**  trans-84.186.6176.6-66.2-174.817900109.8T453E451-T453 VanDerWaalsContact C-N 3.33Å
452E87.1Confident88.2Confident152 Ų152121.6 Ų121.671%0.7167%0.666SS**  trans-75.1-27.4175.2-68.9176.2-16800112K450K450-E452 PolarHBondContact O-N 3.27Å
453T87.7Confident88.4Confident117 Ų117124.1 Ų124.172%0.71868%0.675SS**SBendtrans-118157.2178.756.80000111.2E451 Y455E451-T453 VanDerWaalsContact C-N 3.33Å; T453-Y455 PolarHBondContact O-N 3.31Å
454R90.6Very high88.6Confident239 Ų239125.5 Ų125.590%0.90268%0.679SS**  trans-55.4135174.9-171.6176.8-178.586.41.3110.4G456R454-G456 PolarHBondContact O-N 3.1Å
455Y90.6Very high88.8Confident140 Ų140121 Ų12155%0.54968%0.678SS.*  trans-52.8118.2-178.3-176.4-108.4000112.4T453T453-Y455 PolarHBondContact O-N 3.31Å
456G89.4Confident88.9Confident85 Ų85120.4 Ų120.488%0.87668%0.675SS**  trans-102.80.2179.400000114.4R454R454-G456 PolarHBondContact O-N 3.1Å
457G90.5Very high89.2Confident41 Ų41123.3 Ų123.342%0.42369%0.685SS.*  trans105.7173.9-170.900000113.4A459G457-A459 PolarHBondContact O-N 3.4Å
458E88.7Confident89.4Confident113 Ų113128.8 Ų128.853%0.52870%0.7SS.*  trans-83.7109.9175.8-65.8-168.3-165.200111.1S460 G461 I462E458-S460 PolarHBondContact O-N 3.13Å; E458-G461 PolarHBondContact O-N 3.22Å; E458-I462 HydrophobicContact CB-CG1 4.05Å; E458-I462 HydrophobicContact CG-CD1 4.21Å; E458-I462 HydrophobicContact CG-CG1 3.88Å; E458-I462 WeakPolarHBondContact OE1-CG1 3.29Å; E458-I462 WeakPolarHBondContact OE2-CG1 3.42Å
459A86.9Confident89.5Confident100 Ų100126.5 Ų126.583%0.82669%0.691SS**THydrogen-bonded Turntrans-60.4-40-178.200000113.7G457 G461G457-A459 PolarHBondContact O-N 3.4Å; A459-G461 VanDerWaalsContact C-N 3.29Å; A459-G461 PolarHBondContact O-N 3.41Å
460S87.4Confident89.9Confident103 Ų103124.6 Ų124.672%0.7270%0.698SS**THydrogen-bonded Turntrans-84.61.1-178.6-45.60000113.9E458E458-S460 PolarHBondContact O-N 3.13Å
461G91.8Very high90.3Very high49 Ų49127 Ų12751%0.50571%0.709SS.*  trans79.6150.6179.900000115.4E458 A459E458-G461 PolarHBondContact O-N 3.22Å; A459-G461 VanDerWaalsContact C-N 3.29Å; A459-G461 PolarHBondContact O-N 3.41Å
462I92.6Very high90.7Very high124 Ų124127.6 Ų127.664%0.63672%0.716SS**  trans-94.8125.7-179.5-63.3160.4000110.1E458E458-I462 HydrophobicContact CB-CG1 4.05Å; E458-I462 HydrophobicContact CG-CD1 4.21Å; E458-I462 HydrophobicContact CG-CG1 3.88Å; E458-I462 WeakPolarHBondContact OE1-CG1 3.29Å; E458-I462 WeakPolarHBondContact OE2-CG1 3.42Å
463R93Very high90.5Very high204 Ų204133.8 Ų133.877%0.7774%0.74SS**  trans-103.996.9172.1-165.8169.7173.2144.1-1.2111.4G465 V466R463-G465 PolarHBondContact O-N 3.01Å; R463-G465 VanDerWaalsContact O-N 3.08Å; R463-V466 HydrophobicContact CB-CG2 4.31Å; R463-V466 HydrophobicContact CG-CG2 3.82Å; R463-V466 PolarHBondContact O-N 3.37Å
464A91.9Very high90.6Very high104 Ų104134.6 Ų134.686%0.8674%0.742SS**THydrogen-bonded Turntrans-58.6-25.1-173.100000115.7
465G93.6Very high90.6Very high73 Ų73129.1 Ų129.175%0.75373%0.733SS**THydrogen-bonded Turntrans-85.5-8.3-177.800000115.7R463R463-G465 PolarHBondContact O-N 3.01Å; R463-G465 VanDerWaalsContact O-N 3.08Å
466V92.6Very high90.6Very high73 Ų73128.5 Ų128.544%0.44274%0.743SS.*  trans-98.9118.1-172.8177.70000110.5R463 K468R463-V466 HydrophobicContact CB-CG2 4.31Å; R463-V466 HydrophobicContact CG-CG2 3.82Å; R463-V466 PolarHBondContact O-N 3.37Å; V466-K468 HydrophobicContact CG1-CG 3.94Å
467K91.3Very high90.7Very high193 Ų193131.1 Ų131.184%0.83974%0.736SS**  trans-104.5114.9173.9-59.9-177.9-176.9-177.40109.3
468K88.6Confident90.7Very high181 Ų181136.7 Ų136.779%0.78776%0.755SS**  trans-101.215-179.8-62.1-173.1-178.7177.70114V466V466-K468 HydrophobicContact CG1-CG 3.94Å
469S90.4Very high90.8Very high96 Ų96138.3 Ų138.367%0.67177%0.77SS**PPolyproline II helixtrans-79145.3178.155.30000112.2
470T92.4Very high91.1Very high129 Ų129141 Ų14179%0.79177%0.766SS**PPolyproline II helixtrans-72.3123.7168.444.80000109.3
471K94.2Very high91.4Very high196 Ų196143.9 Ų143.985%0.85277%0.77SS**PPolyproline II helixtrans-79.9121174.8-65.4-179.2-177.9176.60108.8
472L92.9Very high91.3Very high168 Ų168151.8 Ų151.888%0.8879%0.792SS**PPolyproline II helixtrans-70.8135.5167.8-57.9176.9000108
473K82.4Confident91.2Very high281 Ų281154.4 Ų154.4100%1.22281%0.806SS**  trans-87.90-177.7-82.3-173.2176.5179.70111

Retrieved 473 of 473 residues in 304.6 ms (Link to these results)