A0A087XPL7_POEFO Loading...

60S ribosomal protein L7a

Component of the ribosome.

AlphaFold DB (A0A3B3UXX5), UniProt , Accession A0A087XPL7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 266 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
1M42.5Very low44.1Very low246 Ų246172.8 Ų172.8100%1.21290%0.903SS**  0102.30-70.7176.217200109.7
2P39.6Very low44.6Very low129 Ų129170.7 Ų170.784%0.83890%0.902SS**  trans-103.8152-177.332.9-21.9000113.2G4P2-G4 PolarHBondContact O-N 3.3Å
3K38Very low45.6Very low224 Ų224164.3 Ų164.397%0.97489%0.889SS**  trans-71.6120.1179.4-73.1178.8177.5173.50111.6
4G42.2Very low46.5Very low67 Ų67161.4 Ų161.469%0.69188%0.883SS**  trans-124.4147.6167.100000112P2P2-G4 PolarHBondContact O-N 3.3Å
5K46.7Very low47.2Very low211 Ų211157 Ų15792%0.91788%0.876SS**  trans74.7116.6176.2-57.5177.7176.81760118
6K40.7Very low47.3Very low218 Ų218154.7 Ų154.795%0.94887%0.87SS**  -137.2146116.6-80.6-162.3175-179.10108.9
7A46.1Very low47.6Very low95 Ų95151.5 Ų151.579%0.78586%0.86SS**  trans-111.5160.5-171.400000113
8K48.1Very low48.2Very low217 Ų217151.3 Ų151.394%0.94386%0.862SS**  trans-5.1141.6159.6-57.6171.7177.4177.40116.5
9G43Very low48.7Very low80 Ų80147.7 Ų147.783%0.82585%0.853SS**  cis-155-146.72.700000109.1
10K45.9Very low49.4Very low210 Ų210150.4 Ų150.491%0.91385%0.854SS**  cis-152.5147.8-4.5-176.9-175.8-178.8-175.80106.5
11K52.1Low49.9Very low204 Ų204152.8 Ų152.889%0.88786%0.855SS**  trans-76.7140.7-175.2-70.1-179.5177.3178.90113.3
12V50.4Low50.6Low147 Ų147148.4 Ų148.489%0.89183%0.831SS**  trans-121.8136154.9-178.90000107
13A57Low51.9Low88 Ų88150.2 Ų150.273%0.72783%0.829SS**PPolyproline II helixtrans-88.4145.5-170.600000112.8
14P58.7Low53Low124 Ų124145 Ų14581%0.80582%0.818SS**PPolyproline II helixtrans-69.1148.7168.230.2-34.1000111.3
15A56.9Low54.1Low95 Ų95150.5 Ų150.579%0.78582%0.822SS**PPolyproline II helixtrans-63.7145.8-177.800000112.8
16P49.6Very low55.3Low120 Ų120149.6 Ų149.678%0.77982%0.818SS**PPolyproline II helixtrans-74.8131-17429.4-34.6000112.9
17S52Low56.7Low101 Ų101146.1 Ų146.171%0.70682%0.815SS**  trans27.5112.3155.861.40000118.7A19S17-A19 PolarHBondContact O-N 2.84Å
18V57.2Low58.1Low147 Ų147147.2 Ų147.289%0.89181%0.812SS**  trans-56110.4147.8177.70000107.4K20V18-K20 PolarHBondContact O-N 3.27Å
19A58.8Low59.8Low84 Ų84139.8 Ų139.869%0.69478%0.782SS**  trans-60.1111178.200000109.1S17 K21S17-A19 PolarHBondContact O-N 2.84Å; A19-K21 PolarHBondContact O-N 3.44Å
20K62.2Low61.7Low200 Ų200141.9 Ų141.987%0.8778%0.782SS**  trans-54.9115.4164.7-82.6-176175.8178.30106.6V18 H22V18-K20 PolarHBondContact O-N 3.27Å; K20-H22 PolarHBondContact O-N 3.05Å
21K59.5Low63.7Low202 Ų202138.7 Ų138.788%0.87877%0.774SS**  trans-51.5109.7174.4-139.8177.1-171.71780106.7A19 E23A19-K21 PolarHBondContact O-N 3.44Å; K21-E23 PolarHBondContact O-N 2.92Å
22H58.5Low65.3Low154 Ų154136.9 Ų136.971%0.71377%0.766SS**  trans-71.498.4-176.5-1712.5000107.2K20 P24K20-H22 PolarHBondContact O-N 3.05Å; H22-P24 WeakPolarHBondContact O-CD 3.39Å; H22-P24 VanDerWaalsContact O-N 3.17Å
23E65.3Low67.1Low167 Ų167135.9 Ų135.978%0.7875%0.752SS**  trans-58.1121.9168-69.7-165.915000107.3K21 K25K21-E23 PolarHBondContact O-N 2.92Å; E23-K25 PolarHBondContact O-N 2.82Å
24P62.1Low68.7Low114 Ų114141.4 Ų141.474%0.7476%0.759SS**  trans-64.7115.6-178.424.7-32.2000107.9H22 K26H22-P24 WeakPolarHBondContact O-CD 3.39Å; H22-P24 VanDerWaalsContact O-N 3.17Å; P24-K26 PolarHBondContact O-N 3.12Å
25K65.8Low70.3Confident182 Ų182145.1 Ų145.179%0.79176%0.758SS**  trans-55.8110.4172.7-71.8-178.5178178.70107.3E23 V27E23-K25 PolarHBondContact O-N 2.82Å; K25-V27 PolarHBondContact O-N 3.16Å; K25-V27 VanDerWaalsContact O-N 3.11Å
26K72Confident72Confident192 Ų192146.2 Ų146.284%0.83576%0.757SS**  trans-55.1121.3176.1-72179.8178.8175.30107.8P24 V28P24-K26 PolarHBondContact O-N 3.12Å; K26-V28 VanDerWaalsContact C-N 3.35Å; K26-V28 PolarHBondContact O-N 3.05Å
27V70.6Confident74.2Confident146 Ų146147.1 Ų147.189%0.88575%0.748SS**  trans-68.595.8178.2-178.50000107.7K25 N29K25-V27 PolarHBondContact O-N 3.16Å; K25-V27 VanDerWaalsContact O-N 3.11Å; V27-N29 PolarHBondContact O-N 3.3Å
28V75.1Confident76.3Confident118 Ų118146.5 Ų146.572%0.71574%0.737SS**  trans-81.8107.7174.2-177.30000107.1K26 P30K26-V28 VanDerWaalsContact C-N 3.35Å; K26-V28 PolarHBondContact O-N 3.05Å; V28-P30 WeakPolarHBondContact O-CD 3.44Å
29N82.6Confident78.2Confident60 Ų60143.7 Ų143.732%0.32171%0.713SS.*  trans-67.4119.7171.9-178.9-11.8000108.6V27 L31 F32V27-N29 PolarHBondContact O-N 3.3Å; N29-L31 PolarHBondContact O-N 3.42Å; N29-L31 VanDerWaalsContact O-N 3.09Å; N29-L31 WeakPolarHBondContact OD1-CB 3.36Å; N29-L31 WeakPolarHBondContact OD1-CG 3.39Å; N29-L31 PolarHBondContact OD1-N 3.25Å; N29-F32 HydrophobicContact CB-CD2 3.72Å; N29-F32 HydrophobicContact CB-CE2 4Å; N29-F32 PolarHBondContact O-N 3.34Å
30P82.9Confident80Confident124 Ų124140.9 Ų140.981%0.80569%0.692SS**THydrogen-bonded Turntrans-64.1-13.2-178.126.8-35.5000113.7V28 F32V28-P30 WeakPolarHBondContact O-CD 3.44Å; P30-F32 VanDerWaalsContact C-N 3.28Å; P30-F32 PolarHBondContact O-N 3.47Å
31L89.2Confident81.6Confident143 Ų143139.8 Ų139.875%0.74969%0.694SS**THydrogen-bonded Turntrans-74.8-13.5173.2-56.8175.4000113.5N29N29-L31 PolarHBondContact O-N 3.42Å; N29-L31 VanDerWaalsContact O-N 3.09Å; N29-L31 WeakPolarHBondContact OD1-CB 3.36Å; N29-L31 WeakPolarHBondContact OD1-CG 3.39Å; N29-L31 PolarHBondContact OD1-N 3.25Å
32F85.9Confident83.3Confident166 Ų166133.8 Ų133.873%0.72869%0.69SS**  trans-98.692.9179-65.4-40.7000112.1N29 P30N29-F32 HydrophobicContact CB-CD2 3.72Å; N29-F32 HydrophobicContact CB-CE2 4Å; N29-F32 PolarHBondContact O-N 3.34Å; P30-F32 VanDerWaalsContact C-N 3.28Å; P30-F32 PolarHBondContact O-N 3.47Å
33E87.6Confident85.1Confident126 Ų126132.3 Ų132.359%0.58968%0.683SS**  trans-96.6150.9172.858.1174.4-17200113.4R35E33-R35 HydrophobicContact CG-CG 4.16Å; E33-R35 PolarHBondContact O-N 2.91Å; E33-R35 IonicContact OE1-CZ 3.01Å; E33-R35 IonicContact OE1-NE 3.34Å; E33-R35 PolarHBondContact OE1-NE 2.95Å; E33-R35 IonicContact OE1-NH2 2.68Å; E33-R35 PolarHBondContact OE1-NH2 2.97Å
34K91.2Very high86.6Confident204 Ų204127.3 Ų127.389%0.88766%0.662SS**  trans-77.5109.8173.3-68.2-179.8-177.2174.30109.1P36K34-P36 WeakPolarHBondContact O-CD 3.46Å
35R90.8Very high88.2Confident203 Ų203129.3 Ų129.377%0.76666%0.664SS**  trans-104.173.8169.9-62.2-176.7177.9-179.6-0.5110.9E33E33-R35 HydrophobicContact CG-CG 4.16Å; E33-R35 PolarHBondContact O-N 2.91Å; E33-R35 IonicContact OE1-CZ 3.01Å; E33-R35 IonicContact OE1-NE 3.34Å; E33-R35 PolarHBondContact OE1-NE 2.95Å; E33-R35 IonicContact OE1-NH2 2.68Å; E33-R35 PolarHBondContact OE1-NH2 2.97Å
36P93.8Very high89.6Confident118 Ų118124.6 Ų124.677%0.76665%0.645SS**  trans-67137.4176.630.6-34.9000110.1K34K34-P36 WeakPolarHBondContact O-CD 3.46Å
37K95.3Very high90.8Very high139 Ų139118 Ų11860%0.60462%0.622SS**  trans-92.5138.1175.3-68.8-168177.5-165.20111F39 D44K37-F39 HydrophobicContact CB-CD1 4.36Å; K37-F39 HydrophobicContact CB-CE1 3.67Å; K37-F39 HydrophobicContact CB-CE2 4.17Å; K37-F39 HydrophobicContact CB-CZ 3.57Å; K37-F39 HydrophobicContact CD-CE1 4.17Å; K37-F39 HydrophobicContact CD-CZ 4.3Å; K37-F39 HydrophobicContact CG-CZ 4.49Å; K37-D44 VanDerWaalsContact CA-OD2 3.22Å; K37-D44 WeakPolarHBondContact CA-OD2 3.35Å; K37-D44 HydrophobicContact CB-CB 4.08Å; K37-D44 WeakPolarHBondContact CB-OD2 3.4Å; K37-D44 HydrophobicContact CD-CB 4.45Å
38N96.3Very high92Very high88 Ų88121.4 Ų121.447%0.47163%0.625SS.*  trans-94.2101.5176.4-177.4-0.2000109.6G40 Q43 D44N38-G40 PolarHBondContact O-N 3.22Å; N38-G40 VanDerWaalsContact O-N 3.14Å; N38-G40 PolarHBondContact OD1-N 3.41Å; N38-Q43 HydrophobicContact CB-CB 4.23Å; N38-Q43 WeakPolarHBondContact O-CB 3.34Å; N38-D44 PolarHBondContact N-OD2 3.05Å; N38-D44 WeakPolarHBondContact O-CB 3.37Å; N38-D44 PolarHBondContact O-N 3.46Å
39F96.7Very high93Very high88 Ų88122.9 Ų122.939%0.38662%0.618SS.*  trans-8531.2177.8-52-61.1000113.5K37 D44 I45 Q46 P47K37-F39 HydrophobicContact CB-CD1 4.36Å; K37-F39 HydrophobicContact CB-CE1 3.67Å; K37-F39 HydrophobicContact CB-CE2 4.17Å; K37-F39 HydrophobicContact CB-CZ 3.57Å; K37-F39 HydrophobicContact CD-CE1 4.17Å; K37-F39 HydrophobicContact CD-CZ 4.3Å; K37-F39 HydrophobicContact CG-CZ 4.49Å; F39-D44 HydrophobicContact CD1-CB 4.05Å; F39-D44 HydrophobicContact CE1-CB 4.24Å; F39-I45 WeakPolarHBondContact CD1-O 3.24Å; F39-I45 WeakPolarHBondContact CE1-O 3.46Å; F39-Q46 PolarHBondContact O-NE2 2.82Å; F39-P47 HydrophobicContact CD1-CG 4.5Å; F39-P47 HydrophobicContact CD2-CG 4.39Å; F39-P47 HydrophobicContact CG-CG 4.37Å
40G95.6Very high93.7Very high25 Ų25125.8 Ų125.826%0.25863%0.634SS.*SBendtrans-65.8175168.800000113.1N38 Q46N38-G40 PolarHBondContact O-N 3.22Å; N38-G40 VanDerWaalsContact O-N 3.14Å; N38-G40 PolarHBondContact OD1-N 3.41Å; G40-Q46 PolarHBondContact O-NE2 2.86Å
41I96.3Very high94.4Very high176 Ų176125.1 Ų125.190%0.90362%0.622SS**THydrogen-bonded Turntrans-71.6129.5173.8-58175.8000108.2Q43I41-Q43 VanDerWaalsContact C-N 3.31Å; I41-Q43 PolarHBondContact O-N 2.94Å
42G95.6Very high94.7Very high77 Ų77121.9 Ų121.979%0.79461%0.609SS**THydrogen-bonded Turntrans73.915.6-179.900000115.4
43Q96.6Very high95.2Very high123 Ų123123 Ų12358%0.57561%0.608SS**SBendtrans-111.7-138.1-179.5-60.2-67.9-46.900109.9N38 I41N38-Q43 HydrophobicContact CB-CB 4.23Å; N38-Q43 WeakPolarHBondContact O-CB 3.34Å; I41-Q43 VanDerWaalsContact C-N 3.31Å; I41-Q43 PolarHBondContact O-N 2.94Å
44D96.4Very high95.6Very high61 Ų61124.1 Ų124.133%0.32661%0.611SS.*SBendtrans-59.6152.5179-77.3-74.2000113.3K37 N38 F39 Q46K37-D44 VanDerWaalsContact CA-OD2 3.22Å; K37-D44 WeakPolarHBondContact CA-OD2 3.35Å; K37-D44 HydrophobicContact CB-CB 4.08Å; K37-D44 WeakPolarHBondContact CB-OD2 3.4Å; K37-D44 HydrophobicContact CD-CB 4.45Å; N38-D44 PolarHBondContact N-OD2 3.05Å; N38-D44 WeakPolarHBondContact O-CB 3.37Å; N38-D44 PolarHBondContact O-N 3.46Å; F39-D44 HydrophobicContact CD1-CB 4.05Å; F39-D44 HydrophobicContact CE1-CB 4.24Å; D44-Q46 PolarHBondContact O-N 3.05Å
45I95.8Very high95.9Very high156 Ų156117.8 Ų117.880%0.859%0.59SS**PPolyproline II helixtrans-53.1125.7173.1-60.4176.4000109.9F39F39-I45 WeakPolarHBondContact CD1-O 3.24Å; F39-I45 WeakPolarHBondContact CE1-O 3.46Å
46Q95.8Very high96.2Very high83 Ų83117.6 Ų117.639%0.38859%0.594SS.*PPolyproline II helixtrans-58.4138.7-178.7-64.1-69.3-47.200111.5F39 G40 D44F39-Q46 PolarHBondContact O-NE2 2.82Å; G40-Q46 PolarHBondContact O-NE2 2.86Å; D44-Q46 PolarHBondContact O-N 3.05Å
47P96.3Very high96.4Very high55 Ų55115.3 Ų115.336%0.35757%0.571SS.*PPolyproline II helixtrans-68.5159.6177.730.9-35.6000110.7F39 R49F39-P47 HydrophobicContact CD1-CG 4.5Å; F39-P47 HydrophobicContact CD2-CG 4.39Å; F39-P47 HydrophobicContact CG-CG 4.37Å; P47-R49 PolarHBondContact O-N 3.47Å
48K96.8Very high96.6Very high217 Ų217111.8 Ų111.894%0.94356%0.562SS**PPolyproline II helixtrans-58.7125.9168.9-65-179.9-178.3177.10108.9
49R95.8Very high96.6Very high149 Ų149117.6 Ų117.656%0.56258%0.577SS**  trans-123.1164.5179.3-71.9178.2178.6143.37.7109.9P47 L51P47-R49 PolarHBondContact O-N 3.47Å; R49-L51 PolarHBondContact O-N 2.67Å; R49-L51 VanDerWaalsContact O-N 3.12Å
50D97.4Very high96.7Very high121 Ų121120.5 Ų120.565%0.64759%0.587SS**  trans-65.6112.3169.217825.8000110.5T52D50-T52 WeakPolarHBondContact OD1-CB 3.29Å; D50-T52 PolarHBondContact OD1-N 3.22Å; D50-T52 PolarHBondContact OD1-OG1 2.93Å
51L96.9Very high96.8Very high109 Ų109120.1 Ų120.157%0.57158%0.579SS**  trans-1003.9177.1-62.2-179.7000112.8R49 R53 F54 V55R49-L51 PolarHBondContact O-N 2.67Å; R49-L51 VanDerWaalsContact O-N 3.12Å; L51-R53 PolarHBondContact O-N 3.46Å; L51-F54 HydrophobicContact CD2-CD2 4.43Å; L51-F54 CarbonylContact O-C 3.56Å; L51-F54 WeakPolarHBondContact O-CA 3.48Å; L51-F54 PolarHBondContact O-N 3.25Å; L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.04Å
52T96.6Very high96.9Very high76 Ų76117.2 Ų117.247%0.46656%0.557SS.*THydrogen-bonded Turntrans-49.3-34.8-173.9-63.50000113.6D50 W57D50-T52 WeakPolarHBondContact OD1-CB 3.29Å; D50-T52 PolarHBondContact OD1-N 3.22Å; D50-T52 PolarHBondContact OD1-OG1 2.93Å; T52-W57 HydrophobicContact CG2-CH2 4.32Å; T52-W57 HydrophobicContact CG2-CZ2 3.77Å; T52-W57 WeakPolarHBondContact O-CZ2 3.45Å; T52-W57 PolarHBondContact O-NE1 3.03Å
53R96Very high97Very high189 Ų189119.2 Ų119.271%0.71355%0.549SS*.THydrogen-bonded Turntrans-70.4-30.1176.1-174.5179.2176.9-155.73.4114.2L51L51-R53 PolarHBondContact O-N 3.46Å
54F96.4Very high97Very high149 Ų149119.1 Ų119.165%0.65455%0.548SS*.THydrogen-bonded Turntrans-102.9-9-174.3-54.2-74.1000113.5L51 K56L51-F54 HydrophobicContact CD2-CD2 4.43Å; L51-F54 CarbonylContact O-C 3.56Å; L51-F54 WeakPolarHBondContact O-CA 3.48Å; L51-F54 PolarHBondContact O-N 3.25Å; F54-K56 PolarHBondContact O-N 3.42Å
55V97.4Very high97.1Very high71 Ų71121.9 Ų121.943%0.4355%0.554SS.*SBendtrans-52135.7174.1169.10000111.7L51 W57L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.04Å; V55-W57 VanDerWaalsContact C-N 3.29Å; V55-W57 HydrophobicContact CG1-CD2 4.26Å; V55-W57 HydrophobicContact CG1-CG 4.39Å; V55-W57 PolarHBondContact O-N 3.22Å
56K97.1Very high97.2Very high199 Ų199120 Ų12087%0.86554%0.542SS*.  trans-72.181169-173.5178.11791790110.1F54F54-K56 PolarHBondContact O-N 3.42Å
57W97.6Very high97.2Very high71 Ų71122.2 Ų122.227%0.26955%0.547SS..  trans-58.8143.5-174.6-71.693.3000113.7T52 V55 V61 R62 R65T52-W57 HydrophobicContact CG2-CH2 4.32Å; T52-W57 HydrophobicContact CG2-CZ2 3.77Å; T52-W57 WeakPolarHBondContact O-CZ2 3.45Å; T52-W57 PolarHBondContact O-NE1 3.03Å; V55-W57 VanDerWaalsContact C-N 3.29Å; V55-W57 HydrophobicContact CG1-CD2 4.26Å; V55-W57 HydrophobicContact CG1-CG 4.39Å; V55-W57 PolarHBondContact O-N 3.22Å; W57-V61 HydrophobicContact CB-CB 4.34Å; W57-V61 HydrophobicContact CB-CG1 4.29Å; W57-V61 HydrophobicContact CD2-CG1 4.13Å; W57-V61 HydrophobicContact CE3-CB 4.31Å; W57-V61 HydrophobicContact CE3-CG1 3.77Å; W57-V61 HydrophobicContact CE3-CG2 4.31Å; W57-V61 HydrophobicContact CG-CG1 4.36Å; W57-V61 HydrophobicContact CZ3-CG1 4.49Å; W57-R62 HydrophobicContact CB-CG 3.9Å; W57-R62 WeakPolarHBondContact O-CD 3.28Å; W57-R62 PolarHBondContact O-NE 2.85Å; W57-R65 VanDerWaalsContact NE1-NH1 3.12Å
58P98.3Very high97.1Very high64 Ų64122.6 Ų122.642%0.41655%0.551SS.*  trans-52.9153.3173-28.636.4000113.5Y60 V61 R62P58-Y60 VanDerWaalsContact C-N 3.33Å; P58-Y60 HydrophobicContact CB-CD1 3.79Å; P58-Y60 HydrophobicContact CB-CE1 3.56Å; P58-Y60 HydrophobicContact CG-CE1 4.21Å; P58-Y60 PolarHBondContact O-N 2.85Å; P58-V61 HydrophobicContact CB-CG2 4.47Å; P58-V61 PolarHBondContact O-N 2.82Å; P58-R62 PolarHBondContact O-N 3.48Å; P58-R62 VanDerWaalsContact O-N 3.09Å
59R98.1Very high97.1Very high210 Ų210116.4 Ų116.479%0.79253%0.527SS*.Hα-helixtrans-54.4-44.2-174-74.6-177.472.6-177.22.1112.9V61 R62 L63R59-V61 PolarHBondContact O-N 2.94Å; R59-R62 PolarHBondContact O-N 3.47Å; R59-L63 WeakPolarHBondContact O-CB 3.45Å; R59-L63 PolarHBondContact O-N 2.88Å
60Y98.1Very high97.2Very high150 Ų150114 Ų11459%0.58853%0.525SS*.Hα-helixtrans-63.6-41-178.674.5-87.1000112.6P58 L63 Q64P58-Y60 VanDerWaalsContact C-N 3.33Å; P58-Y60 HydrophobicContact CB-CD1 3.79Å; P58-Y60 HydrophobicContact CB-CE1 3.56Å; P58-Y60 HydrophobicContact CG-CE1 4.21Å; P58-Y60 PolarHBondContact O-N 2.85Å; Y60-L63 PolarHBondContact O-N 3.47Å; Y60-Q64 WeakPolarHBondContact O-CB 3.33Å; Y60-Q64 VanDerWaalsContact O-CG 3.28Å; Y60-Q64 WeakPolarHBondContact O-CG 3.32Å; Y60-Q64 PolarHBondContact O-N 3Å
61V97.8Very high97.1Very high17 Ų17114.6 Ų114.610%0.10352%0.519CS..Hα-helixtrans-64.2-43.7176-177.90000110.7W57 P58 R59 R65W57-V61 HydrophobicContact CB-CB 4.34Å; W57-V61 HydrophobicContact CB-CG1 4.29Å; W57-V61 HydrophobicContact CD2-CG1 4.13Å; W57-V61 HydrophobicContact CE3-CB 4.31Å; W57-V61 HydrophobicContact CE3-CG1 3.77Å; W57-V61 HydrophobicContact CE3-CG2 4.31Å; W57-V61 HydrophobicContact CG-CG1 4.36Å; W57-V61 HydrophobicContact CZ3-CG1 4.49Å; P58-V61 HydrophobicContact CB-CG2 4.47Å; P58-V61 PolarHBondContact O-N 2.82Å; R59-V61 PolarHBondContact O-N 2.94Å; V61-R65 HydrophobicContact CG1-CG 4.49Å; V61-R65 VanDerWaalsContact CG1-CZ 3.5Å; V61-R65 WeakPolarHBondContact O-CB 3.08Å; V61-R65 VanDerWaalsContact O-CG 3.3Å; V61-R65 WeakPolarHBondContact O-CG 3.36Å; V61-R65 PolarHBondContact O-N 3.43Å
62R97.7Very high97Very high115 Ų115114.9 Ų114.943%0.43452%0.516SS..Hα-helixtrans-60.9-48.4176.2-73.1-168.8-78.6141.5-5.9111.3W57 P58 R59 Q64 R65 Q66W57-R62 HydrophobicContact CB-CG 3.9Å; W57-R62 WeakPolarHBondContact O-CD 3.28Å; W57-R62 PolarHBondContact O-NE 2.85Å; P58-R62 PolarHBondContact O-N 3.48Å; P58-R62 VanDerWaalsContact O-N 3.09Å; R59-R62 PolarHBondContact O-N 3.47Å; R62-Q64 PolarHBondContact O-N 2.66Å; R62-R65 PolarHBondContact O-N 3.07Å; R62-Q66 VanDerWaalsContact O-CB 3.32Å; R62-Q66 WeakPolarHBondContact O-CB 3.36Å; R62-Q66 VanDerWaalsContact O-CG 3.27Å; R62-Q66 WeakPolarHBondContact O-CG 3.4Å; R62-Q66 PolarHBondContact O-N 3.37Å; R62-Q66 PolarHBondContact O-OE1 2.93Å
63L97.9Very high97Very high119 Ų119115.9 Ų115.962%0.62351%0.511SS*.Hα-helixtrans-60.9-45.9-179.6-174.564.9000112.2R59 Y60 Q66 R67R59-L63 WeakPolarHBondContact O-CB 3.45Å; R59-L63 PolarHBondContact O-N 2.88Å; Y60-L63 PolarHBondContact O-N 3.47Å; L63-Q66 PolarHBondContact O-N 2.64Å; L63-R67 WeakPolarHBondContact O-CB 3.41Å; L63-R67 PolarHBondContact O-N 3.27Å
64Q97.3Very high97.1Very high121 Ų121111.5 Ų111.557%0.56550%0.501SS*.Hα-helixtrans-62.8-43.4177.3-71.1171.77.700112.3Y60 R62 R67 S68Y60-Q64 WeakPolarHBondContact O-CB 3.33Å; Y60-Q64 VanDerWaalsContact O-CG 3.28Å; Y60-Q64 WeakPolarHBondContact O-CG 3.32Å; Y60-Q64 PolarHBondContact O-N 3Å; R62-Q64 PolarHBondContact O-N 2.66Å; Q64-R67 PolarHBondContact O-N 3.02Å; Q64-S68 PolarHBondContact O-N 3.47Å; Q64-S68 VanDerWaalsContact O-N 3.09Å
65R97.4Very high97.1Very high118 Ų118111.2 Ų111.245%0.44550%0.5SS..Hα-helixtrans-65.7-43.5175.8-71.4176.7-176.4171.56.5111.6W57 V61 R62 S68 I69W57-R65 VanDerWaalsContact NE1-NH1 3.12Å; V61-R65 HydrophobicContact CG1-CG 4.49Å; V61-R65 VanDerWaalsContact CG1-CZ 3.5Å; V61-R65 WeakPolarHBondContact O-CB 3.08Å; V61-R65 VanDerWaalsContact O-CG 3.3Å; V61-R65 WeakPolarHBondContact O-CG 3.36Å; V61-R65 PolarHBondContact O-N 3.43Å; R62-R65 PolarHBondContact O-N 3.07Å; R65-S68 PolarHBondContact O-N 3.49Å; R65-I69 VanDerWaalsContact O-CG1 3.29Å; R65-I69 WeakPolarHBondContact O-CG1 3.35Å; R65-I69 PolarHBondContact O-N 3.33Å
66Q97.6Very high97.1Very high117 Ų117108.5 Ų108.555%0.54748%0.483SS..Hα-helixtrans-61.7-44.7175.9-76.3171.2-4300111.5R62 L63 S68 I69 L70R62-Q66 VanDerWaalsContact O-CB 3.32Å; R62-Q66 WeakPolarHBondContact O-CB 3.36Å; R62-Q66 VanDerWaalsContact O-CG 3.27Å; R62-Q66 WeakPolarHBondContact O-CG 3.4Å; R62-Q66 PolarHBondContact O-N 3.37Å; R62-Q66 PolarHBondContact O-OE1 2.93Å; L63-Q66 PolarHBondContact O-N 2.64Å; Q66-S68 PolarHBondContact O-N 3.48Å; Q66-I69 PolarHBondContact O-N 2.92Å; Q66-L70 WeakPolarHBondContact O-CB 3.44Å; Q66-L70 PolarHBondContact O-N 3.23Å
67R96.3Very high97.1Very high130 Ų130101.8 Ų101.849%0.49146%0.46SS..Hα-helixtrans-54.5-50.2173.1-172.6168.482.8151.23.8111L63 Q64 I69 L70 Y71 D162L63-R67 WeakPolarHBondContact O-CB 3.41Å; L63-R67 PolarHBondContact O-N 3.27Å; Q64-R67 PolarHBondContact O-N 3.02Å; R67-I69 PolarHBondContact O-N 3.11Å; R67-L70 PolarHBondContact O-N 3.42Å; R67-Y71 HydrophobicContact CG-CD2 4.05Å; R67-Y71 HydrophobicContact CG-CE2 3.87Å; R67-Y71 WeakPolarHBondContact O-CD2 3.48Å; R67-Y71 PolarHBondContact O-N 3.16Å; R67-Y71 VanDerWaalsContact O-N 3.11Å; R67-D162 IonicContact CZ-OD2 2.71Å; R67-D162 IonicContact NH1-OD2 3.22Å; R67-D162 PolarHBondContact NH1-OD2 3.49Å; R67-D162 IonicContact NH2-OD2 3Å; R67-D162 PolarHBondContact NH2-OD2 3.4Å
68S95.5Very high97.1Very high63 Ų6399.1 Ų99.144%0.44145%0.452SS..Hα-helixtrans-63.5-36.2178.2-1740000113.8Q64 R65 Q66Q64-S68 PolarHBondContact O-N 3.47Å; Q64-S68 VanDerWaalsContact O-N 3.09Å; R65-S68 PolarHBondContact O-N 3.49Å; Q66-S68 PolarHBondContact O-N 3.48Å
69I96.7Very high97.1Very high87 Ų8798.5 Ų98.545%0.44645%0.452SS..Hα-helixtrans-68-43.5174.4-68.9163.4000110.4R65 Q66 R67 Y71 K72 R73R65-I69 VanDerWaalsContact O-CG1 3.29Å; R65-I69 WeakPolarHBondContact O-CG1 3.35Å; R65-I69 PolarHBondContact O-N 3.33Å; Q66-I69 PolarHBondContact O-N 2.92Å; R67-I69 PolarHBondContact O-N 3.11Å; I69-Y71 PolarHBondContact O-N 3.38Å; I69-K72 WeakPolarHBondContact O-CB 3.42Å; I69-K72 PolarHBondContact O-N 3.05Å; I69-R73 HydrophobicContact CG2-CG 4.04Å; I69-R73 VanDerWaalsContact O-CG 3.3Å; I69-R73 WeakPolarHBondContact O-CG 3.45Å; I69-R73 PolarHBondContact O-N 2.98Å; I69-R73 VanDerWaalsContact O-N 3.09Å
70L97.1Very high97Very high99 Ų9991.2 Ų91.252%0.51843%0.428SS..Hα-helixtrans-61.6-45.8-177.8-169.665.8000111.6Q66 R67 K72 R73 L74Q66-L70 WeakPolarHBondContact O-CB 3.44Å; Q66-L70 PolarHBondContact O-N 3.23Å; R67-L70 PolarHBondContact O-N 3.42Å; L70-K72 PolarHBondContact O-N 3Å; L70-K72 VanDerWaalsContact O-N 3.14Å; L70-R73 PolarHBondContact O-N 3.24Å; L70-L74 HydrophobicContact CD1-CD1 3.9Å; L70-L74 HydrophobicContact CD1-CD2 4.17Å; L70-L74 HydrophobicContact CD1-CG 3.85Å; L70-L74 HydrophobicContact CD2-CD1 4.26Å; L70-L74 HydrophobicContact CG-CD1 3.72Å; L70-L74 HydrophobicContact CG-CG 4.04Å; L70-L74 PolarHBondContact O-N 3.04Å
71Y94.8Very high96.9Very high133 Ų13384.6 Ų84.652%0.52240%0.403SS..Hα-helixtrans-57.7-25.1173.2-87.4-73.8000114.2R67 I69 V76R67-Y71 HydrophobicContact CG-CD2 4.05Å; R67-Y71 HydrophobicContact CG-CE2 3.87Å; R67-Y71 WeakPolarHBondContact O-CD2 3.48Å; R67-Y71 PolarHBondContact O-N 3.16Å; R67-Y71 VanDerWaalsContact O-N 3.11Å; I69-Y71 PolarHBondContact O-N 3.38Å; Y71-V76 VanDerWaalsContact O-CG2 3.25Å; Y71-V76 WeakPolarHBondContact O-CG2 3.01Å
72K95.4Very high96.9Very high115 Ų11584.4 Ų84.450%0.540%0.401SS..Hα-helixtrans-86.5-25.9175.3-67.8177.2-179.7-176.60113.1I69 L70 G239 N240 I241I69-K72 WeakPolarHBondContact O-CB 3.42Å; I69-K72 PolarHBondContact O-N 3.05Å; L70-K72 PolarHBondContact O-N 3Å; L70-K72 VanDerWaalsContact O-N 3.14Å; K72-G239 CarbonylContact O-C 3.54Å; K72-N240 PolarHBondContact O-N 2.96Å; K72-I241 PolarHBondContact O-N 3.18Å
73R96.9Very high96.8Very high96 Ų9679.3 Ų79.336%0.36238%0.382SS..Hα-helixtrans-88.8-42.5-175.2-67.5-72.7175.6-82.3-13.3112.6I69 L70 N240 I241 L242 G243I69-R73 HydrophobicContact CG2-CG 4.04Å; I69-R73 VanDerWaalsContact O-CG 3.3Å; I69-R73 WeakPolarHBondContact O-CG 3.45Å; I69-R73 PolarHBondContact O-N 2.98Å; I69-R73 VanDerWaalsContact O-N 3.09Å; L70-R73 PolarHBondContact O-N 3.24Å; R73-N240 WeakPolarHBondContact O-CA 3.43Å; R73-I241 WeakPolarHBondContact CD-O 3.46Å; R73-I241 PolarHBondContact NH1-O 2.89Å; R73-L242 PolarHBondContact NH1-O 3.05Å; R73-G243 VanDerWaalsContact NH2-CA 3.25Å
74L97.2Very high96.7Very high97 Ų9778.1 Ų78.151%0.50838%0.379SS..SBendtrans-69.3155.3177.2-60.9-178.5000110.6L70 V76 G239 N240L70-L74 HydrophobicContact CD1-CD1 3.9Å; L70-L74 HydrophobicContact CD1-CD2 4.17Å; L70-L74 HydrophobicContact CD1-CG 3.85Å; L70-L74 HydrophobicContact CD2-CD1 4.26Å; L70-L74 HydrophobicContact CG-CD1 3.72Å; L70-L74 HydrophobicContact CG-CG 4.04Å; L70-L74 PolarHBondContact O-N 3.04Å; L74-V76 PolarHBondContact O-N 3.41Å; L74-G239 WeakPolarHBondContact O-CA 3.38Å; L74-N240 PolarHBondContact O-N 2.83Å
75K97.6Very high96.5Very high144 Ų14475.6 Ų75.663%0.62637%0.368SS*.EExtended strand (participates in β ladder)trans-72.5116.4164.8-74.4179.8177.4-178.40108W237 G238 N240K75-W237 HydrophobicContact CB-CE3 4.12Å; K75-W237 HydrophobicContact CB-CZ3 4.38Å; K75-G238 WeakPolarHBondContact CA-O 3.22Å; K75-N240 HydrophobicContact CG-CB 3.98Å
76V97.1Very high96.4Very high14 Ų1471 Ų719%0.08536%0.355CS..EExtended strand (participates in β ladder)trans-92.3124.7-177.9-1800000109.1Y71 L74 I80 N81 G238Y71-V76 VanDerWaalsContact O-CG2 3.25Å; Y71-V76 WeakPolarHBondContact O-CG2 3.01Å; L74-V76 PolarHBondContact O-N 3.41Å; V76-I80 HydrophobicContact CG1-CB 3.84Å; V76-I80 HydrophobicContact CG1-CG2 3.86Å; V76-N81 HydrophobicContact CG1-CB 4.24Å; V76-G238 PolarHBondContact N-O 3.03Å; V76-G238 PolarHBondContact O-N 2.86Å
77P97.6Very high96.4Very high57 Ų5766 Ų6637%0.3733%0.332SS..PPolyproline II helixtrans-56143.5177.6-27.535.5000112.5A79 I80 N81 W237P77-A79 VanDerWaalsContact C-N 3.25Å; P77-A79 PolarHBondContact O-N 3.36Å; P77-A79 VanDerWaalsContact O-N 3.15Å; P77-I80 PolarHBondContact O-N 3.2Å; P77-N81 PolarHBondContact O-N 2.76Å; P77-W237 HydrophobicContact CB-CZ3 4.31Å; P77-W237 HydrophobicContact CG-CZ3 4.12Å
78P97.4Very high96.4Very high16 Ų1662.9 Ų62.910%0.10433%0.325CS..Hα-helixtrans-54-38-176.7-27.934.8000114.2I80 N81 Q82 I233 R234 W237P78-I80 PolarHBondContact O-N 3.2Å; P78-I80 VanDerWaalsContact O-N 3.17Å; P78-N81 PolarHBondContact O-N 3.5Å; P78-N81 VanDerWaalsContact O-N 3.12Å; P78-Q82 PolarHBondContact O-N 2.95Å; P78-I233 WeakPolarHBondContact CB-O 3.48Å; P78-R234 WeakPolarHBondContact CB-O 3.35Å; P78-R234 VanDerWaalsContact CG-O 3.3Å; P78-R234 WeakPolarHBondContact CG-O 3.42Å; P78-W237 HydrophobicContact CG-CD2 4.25Å; P78-W237 HydrophobicContact CG-CG 4.03Å
79A96.8Very high96.5Very high50 Ų5069 Ų6941%0.41334%0.338SS..Hα-helixtrans-60.8-23.5177.400000114.3P77 Q82 F83 V168P77-A79 VanDerWaalsContact C-N 3.25Å; P77-A79 PolarHBondContact O-N 3.36Å; P77-A79 VanDerWaalsContact O-N 3.15Å; A79-Q82 WeakPolarHBondContact O-CG 3.48Å; A79-Q82 PolarHBondContact O-NE2 3.47Å; A79-F83 WeakPolarHBondContact O-CE2 3.26Å; A79-V168 HydrophobicContact CB-CG2 4.17Å
80I96.8Very high96.5Very high58 Ų5870.4 Ų70.430%0.29734%0.343SS..Hα-helixtrans-96.4-39.6171.7-57.8176.7000109.8V76 P77 P78 Q82 F83V76-I80 HydrophobicContact CG1-CB 3.84Å; V76-I80 HydrophobicContact CG1-CG2 3.86Å; P77-I80 PolarHBondContact O-N 3.2Å; P78-I80 PolarHBondContact O-N 3.2Å; P78-I80 VanDerWaalsContact O-N 3.17Å; I80-Q82 PolarHBondContact O-N 3.2Å; I80-F83 PolarHBondContact O-N 3.07Å; I80-F83 VanDerWaalsContact O-N 3.1Å
81N96.9Very high96.5Very high11 Ų1166.7 Ų66.76%0.05932%0.324CS..Hα-helixtrans-59.4-32.7-177.9-169.940.4000113.4V76 P77 P78 F83 T84 H236 G238V76-N81 HydrophobicContact CG1-CB 4.24Å; P77-N81 PolarHBondContact O-N 2.76Å; P78-N81 PolarHBondContact O-N 3.5Å; P78-N81 VanDerWaalsContact O-N 3.12Å; N81-F83 PolarHBondContact O-N 3.17Å; N81-F83 VanDerWaalsContact O-N 3.12Å; N81-T84 WeakPolarHBondContact O-CB 3.49Å; N81-T84 WeakPolarHBondContact O-CG2 3.37Å; N81-T84 PolarHBondContact O-N 3.26Å; N81-T84 PolarHBondContact O-OG1 3.09Å; N81-T84 PolarHBondContact OD1-OG1 2.99Å; N81-H236 PolarHBondContact ND2-CD2 3.4Å; N81-H236 PolarHBondContact ND2-O 3.41Å; N81-G238 VanDerWaalsContact ND2-CA 3.35Å; N81-G238 WeakPolarHBondContact ND2-CA 3.22Å; N81-G238 PolarHBondContact ND2-N 2.88Å; N81-G238 VanDerWaalsContact OD1-CA 3.29Å; N81-G238 WeakPolarHBondContact OD1-CA 3.03Å
82Q96.5Very high96.6Very high12 Ų1260.6 Ų60.66%0.05630%0.302CS..G310 helixtrans-52.6-32.8175.465.3-176.2-27.800113P78 A79 I80 T84 Q85 P171 I183 I233P78-Q82 PolarHBondContact O-N 2.95Å; A79-Q82 WeakPolarHBondContact O-CG 3.48Å; A79-Q82 PolarHBondContact O-NE2 3.47Å; I80-Q82 PolarHBondContact O-N 3.2Å; Q82-T84 PolarHBondContact O-N 3.28Å; Q82-Q85 PolarHBondContact O-N 3.4Å; Q82-Q85 VanDerWaalsContact O-N 3.11Å; Q82-P171 VanDerWaalsContact OE1-CB 3.25Å; Q82-I183 HydrophobicContact CB-CD1 4.44Å; Q82-I183 HydrophobicContact CG-CD1 4.4Å; Q82-I183 WeakPolarHBondContact O-CD1 3.46Å; Q82-I233 HydrophobicContact CB-CG2 3.49Å; Q82-I233 VanDerWaalsContact CB-CG2 3.49Å
83F96.9Very high96.7Very high9 Ų958.8 Ų58.84%0.03930%0.3CS..G310 helixtrans-72.4-14.2177.5-63.6-80.8000113.9A79 I80 N81 Q85 I157 H159 I164 V167 P171 I183A79-F83 WeakPolarHBondContact O-CE2 3.26Å; I80-F83 PolarHBondContact O-N 3.07Å; I80-F83 VanDerWaalsContact O-N 3.1Å; N81-F83 PolarHBondContact O-N 3.17Å; N81-F83 VanDerWaalsContact O-N 3.12Å; F83-Q85 VanDerWaalsContact C-N 3.3Å; F83-I157 HydrophobicContact CE1-CG2 3.94Å; F83-H159 WeakPolarHBondContact O-CB 3.37Å; F83-I164 HydrophobicContact CD2-CD1 4.05Å; F83-I164 HydrophobicContact CE2-CD1 4.36Å; F83-I164 HydrophobicContact CG-CD1 4.22Å; F83-V167 HydrophobicContact CE1-CB 4.36Å; F83-V167 HydrophobicContact CE1-CG2 3.86Å; F83-V167 HydrophobicContact CZ-CB 4.35Å; F83-V167 HydrophobicContact CZ-CG2 3.93Å; F83-V167 WeakPolarHBondContact CZ-O 3.15Å; F83-P171 HydrophobicContact CE1-CG 4.43Å; F83-P171 HydrophobicContact CZ-CG 3.93Å; F83-I183 HydrophobicContact CD1-CD1 3.88Å; F83-I183 HydrophobicContact CD1-CG1 4.35Å; F83-I183 HydrophobicContact CD1-CG2 4.07Å; F83-I183 HydrophobicContact CE1-CD1 4.08Å; F83-I183 HydrophobicContact CE1-CG1 4.44Å; F83-I183 HydrophobicContact CG-CD1 4.39Å
84T94.9Very high96.7Very high93 Ų9359.9 Ų59.957%0.57131%0.309SS*.G310 helixtrans-73.5-26.3170.273.50000112.1N81 Q82 A86N81-T84 WeakPolarHBondContact O-CB 3.49Å; N81-T84 WeakPolarHBondContact O-CG2 3.37Å; N81-T84 PolarHBondContact O-N 3.26Å; N81-T84 PolarHBondContact O-OG1 3.09Å; N81-T84 PolarHBondContact OD1-OG1 2.99Å; Q82-T84 PolarHBondContact O-N 3.28Å; T84-A86 PolarHBondContact O-N 2.89Å
85Q93.1Very high96.8Very high68 Ų6855.2 Ų55.232%0.31829%0.285SS..SBendtrans-91.488.4179.6-57.1-175.828.900109.3Q82 F83 Y226Q82-Q85 PolarHBondContact O-N 3.4Å; Q82-Q85 VanDerWaalsContact O-N 3.11Å; F83-Q85 VanDerWaalsContact C-N 3.3Å; Q85-Y226 PolarHBondContact O-OH 3.18Å
86A96Very high96.8Very high21 Ų2149.8 Ų49.817%0.17426%0.261CS..  trans-107153.4179.700000112T84 H159 I183 K185 Y226T84-A86 PolarHBondContact O-N 2.89Å; A86-H159 HydrophobicContact CB-CB 4.5Å; A86-I183 CarbonylContact C-O 3.49Å; A86-I183 WeakPolarHBondContact CA-O 3.25Å; A86-I183 HydrophobicContact CB-CG2 4.2Å; A86-K185 HydrophobicContact CB-CD 4.38Å; A86-K185 HydrophobicContact CB-CG 3.57Å; A86-Y226 VanDerWaalsContact C-OH 3.28Å
87L96.9Very high96.8Very high12 Ų1257 Ų576%0.06329%0.292CS..  trans-53.2143.6-173.8-170.867.9000111.5T91 A92 L95 C182 I183 V184 I222 Y226L87-T91 HydrophobicContact CD1-CG2 4.02Å; L87-T91 HydrophobicContact CD2-CG2 4.08Å; L87-T91 HydrophobicContact CG-CG2 4.34Å; L87-A92 HydrophobicContact CD2-CB 4.11Å; L87-A92 HydrophobicContact CG-CB 4.4Å; L87-L95 HydrophobicContact CD2-CD1 4.46Å; L87-C182 HydrophobicContact CD2-CB 4.39Å; L87-I183 WeakPolarHBondContact CB-O 3.3Å; L87-I183 PolarHBondContact N-O 3.16Å; L87-V184 HydrophobicContact CB-CG2 4.32Å; L87-V184 HydrophobicContact CD2-CG2 4.27Å; L87-I222 HydrophobicContact CD1-CG1 4.29Å; L87-Y226 WeakPolarHBondContact CA-OH 3.28Å; L87-Y226 HydrophobicContact CD1-CE2 4Å; L87-Y226 PolarHBondContact N-OH 2.92Å
88D96.5Very high96.8Very high65 Ų6554.7 Ų54.735%0.34828%0.276SS..  trans-61.6162.2179.274.2-80.4000111.8Q90 T91 A92D88-Q90 VanDerWaalsContact C-N 3.32Å; D88-Q90 PolarHBondContact O-N 3.49Å; D88-Q90 WeakPolarHBondContact OD2-CA 3.29Å; D88-Q90 WeakPolarHBondContact OD2-CB 3.42Å; D88-Q90 PolarHBondContact OD2-N 3.3Å; D88-T91 VanDerWaalsContact CG-OG1 3.29Å; D88-T91 WeakPolarHBondContact OD1-CB 3.28Å; D88-T91 PolarHBondContact OD1-OG1 3.47Å; D88-T91 PolarHBondContact OD2-N 2.92Å; D88-T91 PolarHBondContact OD2-OG1 3.38Å; D88-A92 WeakPolarHBondContact O-CB 3.4Å; D88-A92 PolarHBondContact O-N 2.98Å
89R96.5Very high96.8Very high193 Ų19354 Ų5473%0.72827%0.271SS*.Hα-helixtrans-67.4-33.9-172.7-172.3-176.470110.5-1112T93R89-T93 WeakPolarHBondContact O-CB 3.42Å; R89-T93 PolarHBondContact O-N 3.33Å; R89-T93 PolarHBondContact O-OG1 3.24Å
90Q96.9Very high96.8Very high116 Ų11656.8 Ų56.854%0.54228%0.276SS..Hα-helixtrans-73.7-55.5-174-67.784.1-4800109.7D88 A92 T93 Q94D88-Q90 VanDerWaalsContact C-N 3.32Å; D88-Q90 PolarHBondContact O-N 3.49Å; D88-Q90 WeakPolarHBondContact OD2-CA 3.29Å; D88-Q90 WeakPolarHBondContact OD2-CB 3.42Å; D88-Q90 PolarHBondContact OD2-N 3.3Å; Q90-A92 VanDerWaalsContact C-N 3.33Å; Q90-A92 PolarHBondContact O-N 3.47Å; Q90-T93 WeakPolarHBondContact O-CB 3.48Å; Q90-T93 PolarHBondContact O-N 3.12Å; Q90-Q94 PolarHBondContact O-N 2.73Å
91T97.2Very high96.8Very high21 Ų2160.3 Ų60.313%0.12929%0.289CS..Hα-helixtrans-62.1-40.7177.3-45.10000111L87 D88 T93 Q94 L95 L218L87-T91 HydrophobicContact CD1-CG2 4.02Å; L87-T91 HydrophobicContact CD2-CG2 4.08Å; L87-T91 HydrophobicContact CG-CG2 4.34Å; D88-T91 VanDerWaalsContact CG-OG1 3.29Å; D88-T91 WeakPolarHBondContact OD1-CB 3.28Å; D88-T91 PolarHBondContact OD1-OG1 3.47Å; D88-T91 PolarHBondContact OD2-N 2.92Å; D88-T91 PolarHBondContact OD2-OG1 3.38Å; T91-T93 VanDerWaalsContact C-N 3.3Å; T91-T93 PolarHBondContact O-N 2.87Å; T91-Q94 PolarHBondContact O-N 3.21Å; T91-L95 WeakPolarHBondContact O-CB 3.48Å; T91-L95 PolarHBondContact O-N 2.88Å; T91-L218 HydrophobicContact CG2-CD2 3.74Å
92A97.5Very high96.8Very high5 Ų560 Ų604%0.04129%0.287CS..Hα-helixtrans-61-37.5173.900000112.5L87 D88 Q90 L95 F96L87-A92 HydrophobicContact CD2-CB 4.11Å; L87-A92 HydrophobicContact CG-CB 4.4Å; D88-A92 WeakPolarHBondContact O-CB 3.4Å; D88-A92 PolarHBondContact O-N 2.98Å; Q90-A92 VanDerWaalsContact C-N 3.33Å; Q90-A92 PolarHBondContact O-N 3.47Å; A92-L95 PolarHBondContact O-N 3.48Å; A92-F96 WeakPolarHBondContact O-CD2 3.47Å; A92-F96 PolarHBondContact O-N 3.39Å
93T97.6Very high96.8Very high76 Ų7662.8 Ų62.847%0.46630%0.297SS..Hα-helixtrans-67.4-42.4178.1-60.50000111.4R89 Q90 T91 F96 K97R89-T93 WeakPolarHBondContact O-CB 3.42Å; R89-T93 PolarHBondContact O-N 3.33Å; R89-T93 PolarHBondContact O-OG1 3.24Å; Q90-T93 WeakPolarHBondContact O-CB 3.48Å; Q90-T93 PolarHBondContact O-N 3.12Å; T91-T93 VanDerWaalsContact C-N 3.3Å; T91-T93 PolarHBondContact O-N 2.87Å; T93-F96 PolarHBondContact O-N 2.95Å; T93-K97 WeakPolarHBondContact O-CB 3.35Å; T93-K97 PolarHBondContact O-N 2.77Å
94Q97.7Very high96.8Very high119 Ų11964 Ų6456%0.55631%0.306SS*.Hα-helixtrans-62.1-45.6174.1-67.1175.3-0.800111.5Q90 T91 F96 K97 L98 L218Q90-Q94 PolarHBondContact O-N 2.73Å; T91-Q94 PolarHBondContact O-N 3.21Å; Q94-F96 PolarHBondContact O-N 3.02Å; Q94-K97 PolarHBondContact O-N 2.97Å; Q94-L98 PolarHBondContact O-N 3.01Å; Q94-L218 HydrophobicContact CB-CD2 3.95Å
95L98Very high96.7Very high0 Ų063 Ų630%030%0.295CS..Hα-helixtrans-58.5-46.1175.8178.4144.3000112.1L87 T91 A92 L98 A99 L154 V156 F202 L218 I222L87-L95 HydrophobicContact CD2-CD1 4.46Å; T91-L95 WeakPolarHBondContact O-CB 3.48Å; T91-L95 PolarHBondContact O-N 2.88Å; A92-L95 PolarHBondContact O-N 3.48Å; L95-L98 PolarHBondContact O-N 2.82Å; L95-A99 VanDerWaalsContact O-CB 3.22Å; L95-A99 WeakPolarHBondContact O-CB 3.22Å; L95-A99 PolarHBondContact O-N 3.18Å; L95-L154 HydrophobicContact CD1-CD2 4.09Å; L95-V156 HydrophobicContact CD1-CG2 3.97Å; L95-V156 HydrophobicContact CD2-CG1 4.29Å; L95-V156 HydrophobicContact CD2-CG2 4.24Å; L95-F202 HydrophobicContact CD2-CZ 4.23Å; L95-L218 HydrophobicContact CB-CD1 4.31Å; L95-L218 HydrophobicContact CB-CD2 4.24Å; L95-I222 HydrophobicContact CD1-CD1 3.75Å
96F97.6Very high96.9Very high29 Ų2961 Ų6113%0.12729%0.287CS..Hα-helixtrans-68.4-33.6176.4-82.9-68.8000112.9A92 T93 Q94 A99 H100 V184 R189 L190 L193A92-F96 WeakPolarHBondContact O-CD2 3.47Å; A92-F96 PolarHBondContact O-N 3.39Å; T93-F96 PolarHBondContact O-N 2.95Å; Q94-F96 PolarHBondContact O-N 3.02Å; F96-A99 PolarHBondContact O-N 3.13Å; F96-H100 WeakPolarHBondContact O-CB 3.27Å; F96-H100 PolarHBondContact O-N 3.11Å; F96-V184 HydrophobicContact CE2-CG1 3.55Å; F96-V184 HydrophobicContact CZ-CG1 3.81Å; F96-R189 VanDerWaalsContact CD2-NH2 3.25Å; F96-R189 HydrophobicContact CE1-CB 4.19Å; F96-R189 HydrophobicContact CZ-CB 3.8Å; F96-L190 HydrophobicContact CE1-CD2 3.89Å; F96-L190 HydrophobicContact CZ-CD2 3.63Å; F96-L193 HydrophobicContact CD1-CD2 4.43Å
97K97.7Very high96.9Very high166 Ų16669.5 Ų69.572%0.72232%0.32SS*.Hα-helixtrans-63.1-45174.4-175.2178.7179.8-179.40111.1T93 Q94T93-K97 WeakPolarHBondContact O-CB 3.35Å; T93-K97 PolarHBondContact O-N 2.77Å; Q94-K97 PolarHBondContact O-N 2.97Å
98L97.6Very high96.9Very high9 Ų976.2 Ų76.25%0.04735%0.351CS..Hα-helixtrans-63.4-51.6173.3177.262000110.9Q94 L95 H100 K101 Y102 F204 D211 L215 L218Q94-L98 PolarHBondContact O-N 3.01Å; L95-L98 PolarHBondContact O-N 2.82Å; L98-H100 PolarHBondContact O-N 3.44Å; L98-H100 VanDerWaalsContact O-N 3.15Å; L98-K101 WeakPolarHBondContact O-CB 3.41Å; L98-K101 PolarHBondContact O-N 2.89Å; L98-Y102 HydrophobicContact CD1-CD2 4.28Å; L98-Y102 HydrophobicContact CD1-CE2 3.75Å; L98-Y102 WeakPolarHBondContact O-CD2 3.38Å; L98-F204 HydrophobicContact CD2-CE1 4.22Å; L98-F204 HydrophobicContact CD2-CZ 4.13Å; L98-F204 HydrophobicContact CG-CE1 4.07Å; L98-F204 HydrophobicContact CG-CZ 4.08Å; L98-D211 HydrophobicContact CD1-CB 3.78Å; L98-L215 HydrophobicContact CD2-CB 3.99Å; L98-L215 HydrophobicContact CD2-CD1 3.97Å; L98-L218 HydrophobicContact CB-CD1 4.31Å; L98-L218 HydrophobicContact CD2-CD1 3.76Å
99A97.4Very high96.8Very high0 Ų077.8 Ų77.80%036%0.357CS..Hα-helixtrans-61-28-177.100000112.6L95 F96 K101 Y102 L136 L193 F202 F204L95-A99 VanDerWaalsContact O-CB 3.22Å; L95-A99 WeakPolarHBondContact O-CB 3.22Å; L95-A99 PolarHBondContact O-N 3.18Å; F96-A99 PolarHBondContact O-N 3.13Å; A99-K101 PolarHBondContact O-N 3.02Å; A99-Y102 PolarHBondContact O-N 3Å; A99-Y102 VanDerWaalsContact O-N 3.12Å; A99-L136 HydrophobicContact CB-CD1 4.02Å; A99-L136 WeakPolarHBondContact O-CD1 3.15Å; A99-L193 HydrophobicContact CB-CD1 4.34Å; A99-L193 HydrophobicContact CB-CD2 3.72Å; A99-F202 HydrophobicContact CB-CE2 4.34Å; A99-F202 HydrophobicContact CB-CZ 3.99Å; A99-F204 HydrophobicContact CB-CE1 4.46Å; A99-F204 HydrophobicContact CB-CE2 4.4Å; A99-F204 HydrophobicContact CB-CZ 3.68Å
100H97Very high96.7Very high110 Ų11073.4 Ų73.451%0.50934%0.343SS..Hα-helixtrans-62.4-27.6174.7-167.9-80.8000113.5F96 L98 Y102 R103 L193F96-H100 WeakPolarHBondContact O-CB 3.27Å; F96-H100 PolarHBondContact O-N 3.11Å; L98-H100 PolarHBondContact O-N 3.44Å; L98-H100 VanDerWaalsContact O-N 3.15Å; H100-Y102 VanDerWaalsContact C-N 3.34Å; H100-R103 PolarHBondContact NE2-NH1 3.28Å; H100-R103 VanDerWaalsContact O-CD 3.3Å; H100-R103 WeakPolarHBondContact O-CD 3.14Å; H100-R103 VanDerWaalsContact O-CG 3.29Å; H100-R103 WeakPolarHBondContact O-CG 3.43Å; H100-L193 HydrophobicContact CB-CD1 4.45Å
101K97.1Very high96.8Very high131 Ų13174.7 Ų74.757%0.5735%0.347SS*.Hα-helixtrans-69.9-30.9173.7-62.8-176.3172.4-170.50112.8L98 A99 D211L98-K101 WeakPolarHBondContact O-CB 3.41Å; L98-K101 PolarHBondContact O-N 2.89Å; A99-K101 PolarHBondContact O-N 3.02Å; K101-D211 VanDerWaalsContact CD-OD2 3.22Å; K101-D211 WeakPolarHBondContact CD-OD2 3.47Å; K101-D211 IonicContact NZ-OD1 3.58Å; K101-D211 PolarHBondContact NZ-OD1 3Å; K101-D211 IonicContact NZ-OD2 3.96Å; K101-D211 PolarHBondContact NZ-OD2 3Å
102Y97.3Very high96.7Very high5 Ų581.1 Ų81.12%0.0237%0.373CS..THydrogen-bonded Turntrans-101.622.1-171-66.3-82000113.5L98 A99 H100 P134 V135 L136 F204 V207 N208 D211L98-Y102 HydrophobicContact CD1-CD2 4.28Å; L98-Y102 HydrophobicContact CD1-CE2 3.75Å; L98-Y102 WeakPolarHBondContact O-CD2 3.38Å; A99-Y102 PolarHBondContact O-N 3Å; A99-Y102 VanDerWaalsContact O-N 3.12Å; H100-Y102 VanDerWaalsContact C-N 3.34Å; Y102-P134 HydrophobicContact CD1-CB 3.84Å; Y102-P134 HydrophobicContact CD1-CG 4.03Å; Y102-P134 HydrophobicContact CE1-CB 3.77Å; Y102-P134 HydrophobicContact CE1-CG 3.64Å; Y102-V135 WeakPolarHBondContact O-CA 3.32Å; Y102-L136 WeakPolarHBondContact O-CG 3.28Å; Y102-L136 PolarHBondContact O-N 2.81Å; Y102-F204 HydrophobicContact CD2-CE1 4.06Å; Y102-F204 HydrophobicContact CG-CE1 4.45Å; Y102-V207 HydrophobicContact CD2-CG1 4.39Å; Y102-V207 HydrophobicContact CE1-CB 4.08Å; Y102-V207 HydrophobicContact CE1-CG1 4.09Å; Y102-V207 HydrophobicContact CE2-CB 4.35Å; Y102-V207 HydrophobicContact CE2-CG1 3.98Å; Y102-N208 WeakPolarHBondContact OH-CB 3.35Å; Y102-N208 PolarHBondContact OH-N 3.32Å; Y102-D211 HydrophobicContact CE2-CB 4.23Å; Y102-D211 VanDerWaalsContact CE2-OD2 3.3Å; Y102-D211 WeakPolarHBondContact CE2-OD2 3.13Å; Y102-D211 WeakPolarHBondContact OH-CB 3.47Å; Y102-D211 PolarHBondContact OH-OD2 3.4Å
103R96.1Very high96.5Very high70 Ų7086.5 Ų86.526%0.26439%0.392SS..PPolyproline II helixtrans-63.3141.2-176.9-67.9173.769.8-174.2-5.1111.2H100 R192 L193 H195H100-R103 PolarHBondContact NE2-NH1 3.28Å; H100-R103 VanDerWaalsContact O-CD 3.3Å; H100-R103 WeakPolarHBondContact O-CD 3.14Å; H100-R103 VanDerWaalsContact O-CG 3.29Å; H100-R103 WeakPolarHBondContact O-CG 3.43Å; R103-R192 PolarHBondContact NH2-O 3.29Å; R103-L193 HydrophobicContact CG-CD1 3.67Å; R103-L193 HydrophobicContact CG-CG 4.17Å; R103-L193 WeakPolarHBondContact CG-O 3.34Å; R103-L193 PolarHBondContact NE-O 3.05Å; R103-H195 PolarHBondContact NH2-CE1 2.72Å; R103-H195 PolarHBondContact NH2-NE2 3.11Å
104P95.5Very high96.3Very high35 Ų3587.3 Ų87.323%0.22739%0.393CS..PPolyproline II helixtrans-69.9148.7173.131.2-34.8000110.6V194 H195P104-V194 HydrophobicContact CG-CB 4.06Å; P104-V194 HydrophobicContact CG-CG1 4.31Å; P104-H195 PolarHBondContact O-CD2 3.22Å; P104-H195 PolarHBondContact O-NE2 3.34Å
105E94.4Very high96.2Very high73 Ų7385.6 Ų85.634%0.34139%0.387SS..PPolyproline II helixtrans-54.7144.7-179.664.9-174.3177.900114.1E109 K110 R113E105-E109 WeakPolarHBondContact CA-OE2 3.48Å; E105-E109 HydrophobicContact CB-CB 4.26Å; E105-K110 HydrophobicContact CG-CB 4.11Å; E105-K110 WeakPolarHBondContact OE1-CD 3.48Å; E105-K110 WeakPolarHBondContact OE1-CG 3.36Å; E105-R113 VanDerWaalsContact CD-NH2 3.33Å; E105-R113 IonicContact OE1-CZ 3Å; E105-R113 IonicContact OE1-NH1 2.93Å; E105-R113 IonicContact OE1-NH2 3.15Å; E105-R113 PolarHBondContact OE1-NH2 3.5Å; E105-R113 IonicContact OE2-CZ 2.67Å; E105-R113 IonicContact OE2-NE 2.82Å; E105-R113 IonicContact OE2-NH1 3.27Å; E105-R113 PolarHBondContact OE2-NH1 2.91Å; E105-R113 IonicContact OE2-NH2 3.47Å; E105-R113 PolarHBondContact OE2-NH2 2.85Å
106T96.2Very high95.9Very high26 Ų2687.4 Ų87.416%0.1640%0.402CS..PPolyproline II helixtrans-71.8162.8167.467.40000111.7Q108 E109 K110 H195T106-Q108 PolarHBondContact O-N 3.06Å; T106-Q108 PolarHBondContact OG1-N 2.91Å; T106-E109 WeakPolarHBondContact CB-OE1 3.48Å; T106-E109 WeakPolarHBondContact CG2-OE1 3.36Å; T106-E109 PolarHBondContact N-OE2 3.47Å; T106-E109 PolarHBondContact O-N 2.68Å; T106-E109 WeakPolarHBondContact OG1-CG 3.33Å; T106-E109 PolarHBondContact OG1-N 3.34Å; T106-E109 VanDerWaalsContact OG1-N 3.07Å; T106-E109 PolarHBondContact OG1-OE1 3.15Å; T106-K110 WeakPolarHBondContact O-CB 3.26Å; T106-K110 PolarHBondContact O-N 3.45Å; T106-H195 WeakPolarHBondContact CG2-CE1 3.33Å; T106-H195 WeakPolarHBondContact CG2-ND1 3.47Å
107K95.8Very high95.6Very high199 Ų19990.4 Ų90.487%0.86541%0.412SS*.Hα-helixtrans-57-33.6171.3-67.1-171.1178.2-173.80112.3K111K107-K111 PolarHBondContact O-N 2.87Å
108Q96.5Very high95.2Very high153 Ų15385.3 Ų85.372%0.71540%0.401SS*.Hα-helixtrans-74.5-46.4179.8-68.3177.1-12.900111.6T106 K110 K111 K112T106-Q108 PolarHBondContact O-N 3.06Å; T106-Q108 PolarHBondContact OG1-N 2.91Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 2.86Å; Q108-K111 PolarHBondContact O-N 2.94Å; Q108-K112 WeakPolarHBondContact O-CG 3.3Å; Q108-K112 PolarHBondContact O-N 3.49Å
109E95.7Very high95Very high98 Ų9890.7 Ų90.746%0.45843%0.426SS..Hα-helixtrans-58.2-44.5171.8-74140.9-128.600111.5E105 T106 K111 K112 R113E105-E109 WeakPolarHBondContact CA-OE2 3.48Å; E105-E109 HydrophobicContact CB-CB 4.26Å; T106-E109 WeakPolarHBondContact CB-OE1 3.48Å; T106-E109 WeakPolarHBondContact CG2-OE1 3.36Å; T106-E109 PolarHBondContact N-OE2 3.47Å; T106-E109 PolarHBondContact O-N 2.68Å; T106-E109 WeakPolarHBondContact OG1-CG 3.33Å; T106-E109 PolarHBondContact OG1-N 3.34Å; T106-E109 VanDerWaalsContact OG1-N 3.07Å; T106-E109 PolarHBondContact OG1-OE1 3.15Å; E109-K111 VanDerWaalsContact C-N 3.34Å; E109-K111 PolarHBondContact O-N 3.22Å; E109-K112 PolarHBondContact O-N 3.09Å; E109-R113 PolarHBondContact O-N 2.91Å
110K94.9Very high94.7Very high100 Ų10096 Ų9644%0.43545%0.451SS..Hα-helixtrans-58.5-44.5175.5-172.9173.1-172.3-173.60111.7E105 T106 Q108 R113 L114E105-K110 HydrophobicContact CG-CB 4.11Å; E105-K110 WeakPolarHBondContact OE1-CD 3.48Å; E105-K110 WeakPolarHBondContact OE1-CG 3.36Å; T106-K110 WeakPolarHBondContact O-CB 3.26Å; T106-K110 PolarHBondContact O-N 3.45Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 2.86Å; K110-R113 PolarHBondContact O-N 2.99Å; K110-L114 HydrophobicContact CG-CD1 4.06Å; K110-L114 WeakPolarHBondContact O-CB 3.38Å; K110-L114 VanDerWaalsContact O-CG 3.29Å; K110-L114 WeakPolarHBondContact O-CG 3.08Å; K110-L114 PolarHBondContact O-N 2.61Å
111K97Very high94.4Very high144 Ų14496.8 Ų96.863%0.62645%0.453SS*.Hα-helixtrans-60.5-49175.5-170.7-175.8-179.2-174.30110.6K107 Q108 E109 R113 L114 L115K107-K111 PolarHBondContact O-N 2.87Å; Q108-K111 PolarHBondContact O-N 2.94Å; E109-K111 VanDerWaalsContact C-N 3.34Å; E109-K111 PolarHBondContact O-N 3.22Å; K111-R113 PolarHBondContact O-N 3.41Å; K111-L114 PolarHBondContact O-N 2.82Å; K111-L115 HydrophobicContact CG-CD1 4.02Å; K111-L115 HydrophobicContact CG-CG 4.45Å; K111-L115 WeakPolarHBondContact O-CG 3.18Å; K111-L115 PolarHBondContact O-N 3.31Å
112K96.5Very high94.1Very high156 Ų15694.9 Ų94.968%0.67846%0.462SS*.Hα-helixtrans-58.2-46177.7-72.6-178.1170.5-173.50112.4Q108 E109 L114 L115 A116Q108-K112 WeakPolarHBondContact O-CG 3.3Å; Q108-K112 PolarHBondContact O-N 3.49Å; E109-K112 PolarHBondContact O-N 3.09Å; K112-L114 PolarHBondContact O-N 3.38Å; K112-L115 PolarHBondContact O-N 3.22Å; K112-A116 WeakPolarHBondContact O-CB 3.45Å; K112-A116 PolarHBondContact O-N 3.29Å
113R93Very high93.8Very high117 Ų11798.1 Ų98.144%0.44249%0.489SS..Hα-helixtrans-62.6-41.5177.1-172-169.665.6-141.7-20.7112.2E105 E109 K110 K111 R117E105-R113 VanDerWaalsContact CD-NH2 3.33Å; E105-R113 IonicContact OE1-CZ 3Å; E105-R113 IonicContact OE1-NH1 2.93Å; E105-R113 IonicContact OE1-NH2 3.15Å; E105-R113 PolarHBondContact OE1-NH2 3.5Å; E105-R113 IonicContact OE2-CZ 2.67Å; E105-R113 IonicContact OE2-NE 2.82Å; E105-R113 IonicContact OE2-NH1 3.27Å; E105-R113 PolarHBondContact OE2-NH1 2.91Å; E105-R113 IonicContact OE2-NH2 3.47Å; E105-R113 PolarHBondContact OE2-NH2 2.85Å; E109-R113 PolarHBondContact O-N 2.91Å; K110-R113 PolarHBondContact O-N 2.99Å; K111-R113 PolarHBondContact O-N 3.41Å; R113-R117 WeakPolarHBondContact O-CB 3.43Å; R113-R117 PolarHBondContact O-N 3.39Å
114L92.9Very high93.4Very high93 Ų9398.2 Ų98.249%0.48751%0.512SS..Hα-helixtrans-69.2-39.5179.3-70.7173.4000111.9K110 K111 K112 R117 A118K110-L114 HydrophobicContact CG-CD1 4.06Å; K110-L114 WeakPolarHBondContact O-CB 3.38Å; K110-L114 VanDerWaalsContact O-CG 3.29Å; K110-L114 WeakPolarHBondContact O-CG 3.08Å; K110-L114 PolarHBondContact O-N 2.61Å; K111-L114 PolarHBondContact O-N 2.82Å; K112-L114 PolarHBondContact O-N 3.38Å; L114-R117 PolarHBondContact O-N 3.14Å; L114-A118 WeakPolarHBondContact O-CB 3.37Å; L114-A118 PolarHBondContact O-N 2.79Å
115L95.4Very high92.7Very high83 Ų83103.3 Ų103.344%0.43553%0.531SS..Hα-helixtrans-60.1-53.4172.2-73.2169.1000111.1K111 K112 R117 A118 E119K111-L115 HydrophobicContact CG-CD1 4.02Å; K111-L115 HydrophobicContact CG-CG 4.45Å; K111-L115 WeakPolarHBondContact O-CG 3.18Å; K111-L115 PolarHBondContact O-N 3.31Å; K112-L115 PolarHBondContact O-N 3.22Å; L115-R117 VanDerWaalsContact C-N 3.27Å; L115-R117 PolarHBondContact O-N 3.35Å; L115-A118 CarbonylContact O-C 3.59Å; L115-A118 WeakPolarHBondContact O-CA 3.42Å; L115-A118 WeakPolarHBondContact O-CB 3.22Å; L115-A118 PolarHBondContact O-N 3.25Å; L115-E119 WeakPolarHBondContact O-CG 3.35Å; L115-E119 PolarHBondContact O-N 2.93Å
116A92.1Very high92Very high38 Ų38102.6 Ų102.631%0.31454%0.543SS..Hα-helixtrans-58.6-36.1179.200000113.2K112 Q120K112-A116 WeakPolarHBondContact O-CB 3.45Å; K112-A116 PolarHBondContact O-N 3.29Å; A116-Q120 WeakPolarHBondContact O-CB 3.4Å; A116-Q120 VanDerWaalsContact O-CG 3.24Å; A116-Q120 WeakPolarHBondContact O-CG 3.22Å; A116-Q120 PolarHBondContact O-N 2.93Å
117R90.5Very high91.2Very high92 Ų92105.3 Ų105.335%0.34756%0.557SS.*Hα-helixtrans-71.3-36.7174.1-172.9172.5178.6170.4-6.1112.3R113 L114 L115 K121 D127R113-R117 WeakPolarHBondContact O-CB 3.43Å; R113-R117 PolarHBondContact O-N 3.39Å; L114-R117 PolarHBondContact O-N 3.14Å; L115-R117 VanDerWaalsContact C-N 3.27Å; L115-R117 PolarHBondContact O-N 3.35Å; R117-K121 WeakPolarHBondContact O-CB 3.3Å; R117-K121 PolarHBondContact O-N 2.8Å; R117-D127 IonicContact CZ-OD1 3.82Å; R117-D127 IonicContact NE-OD1 2.82Å; R117-D127 PolarHBondContact NE-OD1 2.91Å; R117-D127 IonicContact NH2-OD1 3.12Å; R117-D127 PolarHBondContact NH2-OD1 3.29Å; R117-D127 IonicContact NH2-OD2 3.65Å; R117-D127 PolarHBondContact NH2-OD2 2.94Å
118A91.1Very high90.5Very high59 Ų59100.8 Ų100.849%0.48855%0.546SS..Hα-helixtrans-67.9-42.3175.300000111.7L114 L115 K121 A122L114-A118 WeakPolarHBondContact O-CB 3.37Å; L114-A118 PolarHBondContact O-N 2.79Å; L115-A118 CarbonylContact O-C 3.59Å; L115-A118 WeakPolarHBondContact O-CA 3.42Å; L115-A118 WeakPolarHBondContact O-CB 3.22Å; L115-A118 PolarHBondContact O-N 3.25Å; A118-K121 PolarHBondContact O-N 2.97Å; A118-A122 WeakPolarHBondContact O-CB 3.32Å; A118-A122 PolarHBondContact O-N 3.11Å
119E92.8Very high89.9Confident122 Ų12299.5 Ų99.557%0.5755%0.551SS**Hα-helixtrans-60.2-46.3174-71.2158-164.200111.4L115 K121 A122 A123L115-E119 WeakPolarHBondContact O-CG 3.35Å; L115-E119 PolarHBondContact O-N 2.93Å; E119-K121 VanDerWaalsContact C-N 3.34Å; E119-K121 PolarHBondContact O-N 3.09Å; E119-A122 PolarHBondContact O-N 3.28Å; E119-A123 WeakPolarHBondContact O-CB 3.27Å; E119-A123 PolarHBondContact O-N 2.93Å
120Q90.7Very high89.3Confident112 Ų11299.5 Ų99.552%0.52356%0.558SS.*Hα-helixtrans-60.9-41.6174.9-74.9173.67.200112.4A116 A123 K125A116-Q120 WeakPolarHBondContact O-CB 3.4Å; A116-Q120 VanDerWaalsContact O-CG 3.24Å; A116-Q120 WeakPolarHBondContact O-CG 3.22Å; A116-Q120 PolarHBondContact O-N 2.93Å; Q120-A123 CarbonylContact O-C 3.4Å; Q120-A123 PolarHBondContact O-N 3.39Å; Q120-K125 WeakPolarHBondContact O-CB 3.4Å; Q120-K125 PolarHBondContact O-N 3.45Å; Q120-K125 VanDerWaalsContact O-N 3.12Å
121K90.3Very high88.9Confident127 Ų127104.5 Ų104.555%0.55258%0.579SS**Hα-helixtrans-67.5-38.3177.1-172.2172.4-177.9171.80112.4R117 A118 E119 A123 G124R117-K121 WeakPolarHBondContact O-CB 3.3Å; R117-K121 PolarHBondContact O-N 2.8Å; A118-K121 PolarHBondContact O-N 2.97Å; E119-K121 VanDerWaalsContact C-N 3.34Å; E119-K121 PolarHBondContact O-N 3.09Å; K121-A123 VanDerWaalsContact C-N 3.33Å; K121-G124 PolarHBondContact O-N 3Å
122A90.6Very high88.4Confident91 Ų91105.9 Ų105.975%0.75258%0.581SS**Hα-helixtrans-66.5-35.5174.100000111.8A118 E119 G124A118-A122 WeakPolarHBondContact O-CB 3.32Å; A118-A122 PolarHBondContact O-N 3.11Å; E119-A122 PolarHBondContact O-N 3.28Å; A122-G124 PolarHBondContact O-N 2.87Å
123A91.9Very high88.2Confident72 Ų72102.1 Ų102.160%0.59557%0.572SS**THydrogen-bonded Turntrans-75.523.6172.700000114.1E119 Q120 K121 K125E119-A123 WeakPolarHBondContact O-CB 3.27Å; E119-A123 PolarHBondContact O-N 2.93Å; Q120-A123 CarbonylContact O-C 3.4Å; Q120-A123 PolarHBondContact O-N 3.39Å; K121-A123 VanDerWaalsContact C-N 3.33Å; A123-K125 PolarHBondContact O-N 3.28Å; A123-K125 VanDerWaalsContact O-N 3.16Å
124G87.6Confident88.3Confident72 Ų7297.7 Ų97.774%0.74256%0.558SS**THydrogen-bonded Turntrans72.31.617500000116.1K121 A122 G126K121-G124 PolarHBondContact O-N 3Å; A122-G124 PolarHBondContact O-N 2.87Å; G124-G126 PolarHBondContact O-N 3.46Å
125K81.8Confident88.4Confident142 Ų14294.7 Ų94.762%0.61754%0.544SS*.  trans-77.9121.7176.9-58-176.8179.7-179.70109.2Q120 A123Q120-K125 WeakPolarHBondContact O-CB 3.4Å; Q120-K125 PolarHBondContact O-N 3.45Å; Q120-K125 VanDerWaalsContact O-N 3.12Å; A123-K125 PolarHBondContact O-N 3.28Å; A123-K125 VanDerWaalsContact O-N 3.16Å
126G78.8Confident88.5Confident59 Ų5991 Ų9161%0.60853%0.525SS*.  trans-56.5151.5-179.300000113.4G124 T128G124-G126 PolarHBondContact O-N 3.46Å; G126-T128 VanDerWaalsContact C-N 3.32Å; G126-T128 PolarHBondContact O-N 2.97Å
127D79.3Confident88.8Confident83 Ų8391.6 Ų91.644%0.44452%0.519SS..  trans-77.277.3-173.2-165.719000112.2R117R117-D127 IonicContact CZ-OD1 3.82Å; R117-D127 IonicContact NE-OD1 2.82Å; R117-D127 PolarHBondContact NE-OD1 2.91Å; R117-D127 IonicContact NH2-OD1 3.12Å; R117-D127 PolarHBondContact NH2-OD1 3.29Å; R117-D127 IonicContact NH2-OD2 3.65Å; R117-D127 PolarHBondContact NH2-OD2 2.94Å
128T81.4Confident89.1Confident103 Ų10388.5 Ų88.563%0.63251%0.513SS*.  trans-72.3135.7-176.4540000112.5G126 T130G126-T128 VanDerWaalsContact C-N 3.32Å; G126-T128 PolarHBondContact O-N 2.97Å; T128-T130 PolarHBondContact O-N 2.75Å
129P83Confident89.3Confident127 Ų12786.6 Ų86.683%0.82550%0.499SS*.  trans-65.796.9176.7-24.935.8000113.6K131P129-K131 PolarHBondContact O-N 3.39Å
130T84.3Confident89.4Confident98 Ų9881.8 Ų81.860%0.60148%0.478SS*.PPolyproline II helixtrans-63.6129.3175.156.70000112.1T128 R132T128-T130 PolarHBondContact O-N 2.75Å; T130-R132 PolarHBondContact O-N 2.99Å
131K86.8Confident89.8Confident204 Ų20482.4 Ų82.489%0.88749%0.485SS*.PPolyproline II helixtrans-54.2124.7174.9-174.5176.3-176.8175.60111.1P129 P133P129-K131 PolarHBondContact O-N 3.39Å; K131-P133 WeakPolarHBondContact O-CD 3.38Å
132R86.6Confident90.1Very high174 Ų17479.9 Ų79.966%0.65748%0.48SS*.PPolyproline II helixtrans-69.9121.9-178.7-170179.7-166.8172.210.2110.6T130T130-R132 PolarHBondContact O-N 2.99Å
133P91.6Very high90.5Very high76 Ų7675.5 Ų75.549%0.49444%0.444SS..PPolyproline II helixtrans-67150179.326.8-34.4000111.7K131 V135K131-P133 WeakPolarHBondContact O-CD 3.38Å; P133-V135 PolarHBondContact O-N 2.97Å
134P94.8Very high90.8Very high24 Ų2472.9 Ų72.916%0.15642%0.42CS..PPolyproline II helixtrans-61.8128.4165.727.6-33.5000110.3Y102 Q206 N208Y102-P134 HydrophobicContact CD1-CB 3.84Å; Y102-P134 HydrophobicContact CD1-CG 4.03Å; Y102-P134 HydrophobicContact CE1-CB 3.77Å; Y102-P134 HydrophobicContact CE1-CG 3.64Å; P134-Q206 HydrophobicContact CB-CB 4.48Å; P134-Q206 HydrophobicContact CB-CG 3.81Å; P134-Q206 VanDerWaalsContact CB-O 3.28Å; P134-Q206 WeakPolarHBondContact CB-O 3.21Å; P134-N208 WeakPolarHBondContact CG-OD1 3.23Å
135V96.2Very high91.3Very high30 Ų3072.1 Ų72.118%0.18240%0.404CS..  trans-142.6149.2178.2-66.10000109.4Y102 P133Y102-V135 WeakPolarHBondContact O-CA 3.32Å; P133-V135 PolarHBondContact O-N 2.97Å
136L96.9Very high92.1Very high6 Ų666.7 Ų66.73%0.03138%0.381CS..  trans-58.6138.3172.2-65.9172.9000111A99 Y102 L193 F202 F204A99-L136 HydrophobicContact CB-CD1 4.02Å; A99-L136 WeakPolarHBondContact O-CD1 3.15Å; Y102-L136 WeakPolarHBondContact O-CG 3.28Å; Y102-L136 PolarHBondContact O-N 2.81Å; L136-L193 HydrophobicContact CD1-CD2 3.48Å; L136-L193 VanDerWaalsContact CD1-CD2 3.48Å; L136-L193 HydrophobicContact CD1-CG 3.91Å; L136-F202 HydrophobicContact CD1-CD2 4.4Å; L136-F202 HydrophobicContact CD1-CE2 4.35Å; L136-F202 HydrophobicContact CD2-CD2 3.77Å; L136-F202 HydrophobicContact CD2-CE2 3.79Å; L136-F204 HydrophobicContact CD2-CD1 3.67Å; L136-F204 HydrophobicContact CD2-CD2 4.22Å; L136-F204 HydrophobicContact CD2-CE1 3.63Å; L136-F204 HydrophobicContact CD2-CE2 4.18Å; L136-F204 HydrophobicContact CD2-CG 3.99Å; L136-F204 HydrophobicContact CD2-CZ 3.9Å
137R97.2Very high93Very high51 Ų5163.9 Ų63.919%0.19235%0.352CS..EExtended strand (participates in β ladder)trans-101.4126.4173.4-55.4-57.3-177.2176.1-2.5108.3T142 L146 F202 A203 T205R137-T142 HydrophobicContact CB-CG2 4.29Å; R137-L146 HydrophobicContact CB-CD1 3.39Å; R137-L146 HydrophobicContact CG-CD1 3.58Å; R137-F202 CarbonylContact O-C 3.54Å; R137-F202 WeakPolarHBondContact O-CA 3.3Å; R137-F202 WeakPolarHBondContact O-CB 3.49Å; R137-A203 PolarHBondContact N-O 2.9Å; R137-A203 PolarHBondContact O-N 2.82Å; R137-T205 HydrophobicContact CB-CG2 4.41Å; R137-T205 HydrophobicContact CG-CG2 3.62Å
138A96.9Very high93.9Very high26 Ų2664.4 Ų64.422%0.21535%0.352CS..EExtended strand (participates in β ladder)trans-136.1145.8-167.100000112.4V194 F202A138-V194 HydrophobicContact CB-CB 4.33Å; A138-V194 HydrophobicContact CB-CG1 3.8Å; A138-V194 HydrophobicContact CB-CG2 4.42Å; A138-F202 HydrophobicContact CB-CB 4.07Å
139G95.4Very high94.7Very high19 Ų1964.2 Ų64.220%0.19635%0.347CS..SBendtrans100.7135-172.600000111.4N141 T142 V143 S201G139-N141 PolarHBondContact O-N 3.07Å; G139-T142 PolarHBondContact O-N 3.42Å; G139-T142 VanDerWaalsContact O-N 3.16Å; G139-V143 WeakPolarHBondContact O-CG2 3.49Å; G139-V143 PolarHBondContact O-N 2.93Å; G139-S201 PolarHBondContact N-O 2.59Å
140V96.2Very high95.4Very high22 Ų2265 Ų6513%0.13334%0.338CS..Hα-helixtrans-52.2-55.3-169.952.40000112.9T142 V143 T144 L166 F169 L170V140-T142 VanDerWaalsContact C-N 3.26Å; V140-T142 PolarHBondContact O-N 3.44Å; V140-V143 CarbonylContact O-C 3.57Å; V140-V143 WeakPolarHBondContact O-CA 3.39Å; V140-V143 PolarHBondContact O-N 2.89Å; V140-T144 HydrophobicContact CG2-CG2 4.03Å; V140-T144 WeakPolarHBondContact O-CG2 3.3Å; V140-T144 PolarHBondContact O-N 3.46Å; V140-T144 PolarHBondContact O-OG1 3.19Å; V140-L166 WeakPolarHBondContact CG2-O 3.46Å; V140-F169 HydrophobicContact CG2-CZ 4.11Å; V140-L170 HydrophobicContact CG2-CD1 4.36Å
141N97.7Very high96Very high125 Ų12566.5 Ų66.567%0.66834%0.336SS*.Hα-helixtrans-58.5-34.5-177.5-58.715.2000113.3G139 T144 S145G139-N141 PolarHBondContact O-N 3.07Å; N141-T144 WeakPolarHBondContact CA-OG1 3.44Å; N141-T144 PolarHBondContact O-OG1 2.94Å; N141-S145 PolarHBondContact O-N 3.47Å; N141-S145 PolarHBondContact O-OG 3.42Å
142T97.8Very high96.5Very high73 Ų7357.1 Ų57.145%0.44830%0.296SS..Hα-helixtrans-73.9-38.1175.9-540000111R137 G139 V140 L146R137-T142 HydrophobicContact CB-CG2 4.29Å; G139-T142 PolarHBondContact O-N 3.42Å; G139-T142 VanDerWaalsContact O-N 3.16Å; V140-T142 VanDerWaalsContact C-N 3.26Å; V140-T142 PolarHBondContact O-N 3.44Å; T142-L146 HydrophobicContact CG2-CD1 4Å; T142-L146 WeakPolarHBondContact O-CB 3.36Å; T142-L146 VanDerWaalsContact O-CD1 3.26Å; T142-L146 WeakPolarHBondContact O-CD1 3.38Å; T142-L146 WeakPolarHBondContact O-CG 3.44Å; T142-L146 PolarHBondContact O-N 2.94Å
143V98.2Very high97Very high0 Ų052.8 Ų52.80%028%0.284CS..Hα-helixtrans-68-42.3177.5171.70000111.4G139 V140 L146 V147 V155 A203G139-V143 WeakPolarHBondContact O-CG2 3.49Å; G139-V143 PolarHBondContact O-N 2.93Å; V140-V143 CarbonylContact O-C 3.57Å; V140-V143 WeakPolarHBondContact O-CA 3.39Å; V140-V143 PolarHBondContact O-N 2.89Å; V143-L146 PolarHBondContact O-N 3.43Å; V143-V147 HydrophobicContact CG1-CG2 4.44Å; V143-V147 WeakPolarHBondContact O-CG2 3.24Å; V143-V147 PolarHBondContact O-N 2.97Å; V143-V155 HydrophobicContact CG1-CG1 3.77Å; V143-V155 HydrophobicContact CG1-CG2 4.26Å; V143-A203 HydrophobicContact CG1-CB 4.39Å; V143-A203 HydrophobicContact CG2-CB 4.2Å
144T98.3Very high97.3Very high16 Ų1649.2 Ų49.210%0.09826%0.26CS..Hα-helixtrans-59.5-52.2178.251.70000111.3V140 N141 L146 V147 E148 F169 L170 L173V140-T144 HydrophobicContact CG2-CG2 4.03Å; V140-T144 WeakPolarHBondContact O-CG2 3.3Å; V140-T144 PolarHBondContact O-N 3.46Å; V140-T144 PolarHBondContact O-OG1 3.19Å; N141-T144 WeakPolarHBondContact CA-OG1 3.44Å; N141-T144 PolarHBondContact O-OG1 2.94Å; T144-L146 PolarHBondContact O-N 3.19Å; T144-V147 PolarHBondContact O-N 3.02Å; T144-E148 WeakPolarHBondContact O-CG 3.41Å; T144-E148 PolarHBondContact O-N 3.36Å; T144-F169 HydrophobicContact CG2-CE2 3.52Å; T144-F169 HydrophobicContact CG2-CZ 3.7Å; T144-L170 HydrophobicContact CG2-CD2 3.62Å; T144-L173 HydrophobicContact CG2-CD2 4.2Å
145S98.4Very high97.5Very high56 Ų5648 Ų4839%0.39225%0.253SS..Hα-helixtrans-61.7-29.3177.6-56.50000113.1N141 E148 N149N141-S145 PolarHBondContact O-N 3.47Å; N141-S145 PolarHBondContact O-OG 3.42Å; S145-E148 WeakPolarHBondContact CA-OE2 3.39Å; S145-N149 VanDerWaalsContact O-CB 3.28Å; S145-N149 WeakPolarHBondContact O-CB 3.38Å; S145-N149 PolarHBondContact O-N 3.26Å; S145-N149 PolarHBondContact O-ND2 3.07Å
146L98.3Very high97.6Very high28 Ų2846.6 Ų46.615%0.14724%0.244CC..Hα-helixtrans-74.8-30.3174.4-71.8165.9000113.2R137 T142 V143 T144 K150 K151 A152 T205R137-L146 HydrophobicContact CB-CD1 3.39Å; R137-L146 HydrophobicContact CG-CD1 3.58Å; T142-L146 HydrophobicContact CG2-CD1 4Å; T142-L146 WeakPolarHBondContact O-CB 3.36Å; T142-L146 VanDerWaalsContact O-CD1 3.26Å; T142-L146 WeakPolarHBondContact O-CD1 3.38Å; T142-L146 WeakPolarHBondContact O-CG 3.44Å; T142-L146 PolarHBondContact O-N 2.94Å; V143-L146 PolarHBondContact O-N 3.43Å; T144-L146 PolarHBondContact O-N 3.19Å; L146-K150 PolarHBondContact O-N 3.31Å; L146-K151 HydrophobicContact CD2-CB 3.76Å; L146-K151 HydrophobicContact CD2-CD 4.5Å; L146-K151 PolarHBondContact O-N 3.43Å; L146-A152 HydrophobicContact CB-CB 4.24Å; L146-A152 PolarHBondContact O-N 3.29Å; L146-A152 VanDerWaalsContact O-N 3.11Å; L146-T205 HydrophobicContact CD1-CG2 3.7Å; L146-T205 HydrophobicContact CD2-CG2 3.86Å; L146-T205 HydrophobicContact CG-CG2 4.28Å
147V98.4Very high97.6Very high0 Ų046.3 Ų46.30%024%0.243CC..Hα-helixtrans-74.4-45.4174173.80000110.6V143 T144 N149 K150 A152 V155 L173 M177 V179V143-V147 HydrophobicContact CG1-CG2 4.44Å; V143-V147 WeakPolarHBondContact O-CG2 3.24Å; V143-V147 PolarHBondContact O-N 2.97Å; T144-V147 PolarHBondContact O-N 3.02Å; V147-N149 VanDerWaalsContact C-N 3.34Å; V147-N149 PolarHBondContact O-N 2.92Å; V147-K150 PolarHBondContact O-N 2.8Å; V147-A152 HydrophobicContact CG2-CB 4.14Å; V147-V155 HydrophobicContact CG2-CG2 3.55Å; V147-L173 HydrophobicContact CB-CD2 4.45Å; V147-L173 HydrophobicContact CG1-CD2 4.28Å; V147-L173 HydrophobicContact CG1-CG 3.84Å; V147-M177 HydrophobicContact CG1-CB 3.84Å; V147-M177 HydrophobicContact CG1-CG 3.93Å; V147-M177 WeakPolarHBondContact O-CB 3.46Å; V147-V179 HydrophobicContact CG1-CB 4.35Å; V147-V179 HydrophobicContact CG1-CG2 4.1Å; V147-V179 HydrophobicContact CG2-CG1 4.43Å
148E98.1Very high97.7Very high94 Ų9443.9 Ų43.944%0.43923%0.233SC..Hα-helixtrans-57.9-44.9175.4-70.9157.9-17800111.5T144 S145 K150 L173 M177T144-E148 WeakPolarHBondContact O-CG 3.41Å; T144-E148 PolarHBondContact O-N 3.36Å; S145-E148 WeakPolarHBondContact CA-OE2 3.39Å; E148-K150 PolarHBondContact O-N 3.47Å; E148-L173 HydrophobicContact CG-CD1 4.22Å; E148-L173 HydrophobicContact CG-CD2 4.41Å; E148-M177 WeakPolarHBondContact O-CE 3.08Å
149N97.7Very high97.7Very high99 Ų9945.8 Ų45.853%0.52924%0.238SC..THydrogen-bonded Turntrans-79.76176.1-73.3-80.3000114.1S145 V147 K151S145-N149 VanDerWaalsContact O-CB 3.28Å; S145-N149 WeakPolarHBondContact O-CB 3.38Å; S145-N149 PolarHBondContact O-N 3.26Å; S145-N149 PolarHBondContact O-ND2 3.07Å; V147-N149 VanDerWaalsContact C-N 3.34Å; V147-N149 PolarHBondContact O-N 2.92Å; N149-K151 HydrophobicContact CB-CD 3.97Å; N149-K151 HydrophobicContact CB-CG 4.18Å; N149-K151 PolarHBondContact O-N 3.09Å
150K96.6Very high97.8Very high145 Ų14547.4 Ų47.463%0.6324%0.242SC*.THydrogen-bonded Turntrans50.629.1-175.7-60.1-178177178.50114.6L146 V147 E148 M177L146-K150 PolarHBondContact O-N 3.31Å; V147-K150 PolarHBondContact O-N 2.8Å; E148-K150 PolarHBondContact O-N 3.47Å; K150-M177 WeakPolarHBondContact CE-O 3.35Å; K150-M177 HydrophobicContact CG-CE 4.2Å
151K97.1Very high97.9Very high128 Ų12847 Ų4756%0.55724%0.239SC*.  trans-91.3-10178.1-73.2171.7-176169.70113.1L146 N149 T205L146-K151 HydrophobicContact CD2-CB 3.76Å; L146-K151 HydrophobicContact CD2-CD 4.5Å; L146-K151 PolarHBondContact O-N 3.43Å; N149-K151 HydrophobicContact CB-CD 3.97Å; N149-K151 HydrophobicContact CB-CG 4.18Å; N149-K151 PolarHBondContact O-N 3.09Å; K151-T205 WeakPolarHBondContact O-CA 3.37Å; K151-T205 WeakPolarHBondContact O-CB 3.46Å; K151-T205 WeakPolarHBondContact O-CG2 3.15Å
152A97.6Very high97.8Very high7 Ų745.5 Ų45.56%0.05823%0.231CC..  trans-86.5128.7172.700000111L146 V147 V155 V179 A203L146-A152 HydrophobicContact CB-CB 4.24Å; L146-A152 PolarHBondContact O-N 3.29Å; L146-A152 VanDerWaalsContact O-N 3.11Å; V147-A152 HydrophobicContact CG2-CB 4.14Å; A152-V155 HydrophobicContact CB-CG2 4.04Å; A152-V179 HydrophobicContact CB-CG1 3.98Å; A152-A203 HydrophobicContact CB-CB 4.09Å
153Q97.1Very high97.7Very high84 Ų8445.4 Ų45.439%0.39323%0.232SC..SBendtrans-89-32.6174.6-65.3179.8-30.700112F204 L215Q153-F204 PolarHBondContact N-O 2.83Å; Q153-L215 HydrophobicContact CB-CD2 4.32Å
154L98.2Very high97.6Very high0 Ų046.9 Ų46.90%024%0.24CC..EExtended strand (participates in β ladder)trans-153.8133.2177.3174.862.2000109.6L95 P180 A203 F204 L215 V219 I222L95-L154 HydrophobicContact CD1-CD2 4.09Å; L154-P180 HydrophobicContact CD1-CB 4.06Å; L154-A203 CarbonylContact O-C 3.52Å; L154-A203 VanDerWaalsContact O-CA 3.26Å; L154-A203 WeakPolarHBondContact O-CA 3.49Å; L154-F204 HydrophobicContact CB-CB 4.43Å; L154-F204 HydrophobicContact CB-CD2 4.14Å; L154-F204 HydrophobicContact CD2-CD2 4.03Å; L154-F204 HydrophobicContact CD2-CE2 4.18Å; L154-F204 HydrophobicContact CG-CD2 4.31Å; L154-F204 PolarHBondContact O-N 3.15Å; L154-L215 HydrophobicContact CB-CD1 4.3Å; L154-L215 HydrophobicContact CD2-CD1 3.91Å; L154-V219 HydrophobicContact CB-CG2 4.01Å; L154-V219 HydrophobicContact CD1-CG2 4.4Å; L154-V219 HydrophobicContact CD2-CG2 4.32Å; L154-V219 HydrophobicContact CG-CG2 4.47Å; L154-I222 HydrophobicContact CD1-CB 4.48Å; L154-I222 HydrophobicContact CD1-CD1 3.84Å; L154-I222 HydrophobicContact CD1-CG2 3.95Å; L154-I222 HydrophobicContact CD2-CD1 3.95Å
155V98.5Very high97.5Very high0 Ų052 Ų520%026%0.262CS..EExtended strand (participates in β ladder)trans-109.6137.6176.2178.90000110.9V143 V147 A152 I157 V179 P180 Y181 C182 A203V143-V155 HydrophobicContact CG1-CG1 3.77Å; V143-V155 HydrophobicContact CG1-CG2 4.26Å; V147-V155 HydrophobicContact CG2-CG2 3.55Å; A152-V155 HydrophobicContact CB-CG2 4.04Å; V155-I157 HydrophobicContact CG1-CD1 4.47Å; V155-I157 HydrophobicContact CG1-CG1 3.95Å; V155-V179 HydrophobicContact CG2-CG1 3.78Å; V155-P180 PolarHBondContact N-O 2.86Å; V155-Y181 CarbonylContact O-C 3.46Å; V155-Y181 VanDerWaalsContact O-CA 3.3Å; V155-Y181 WeakPolarHBondContact O-CA 3.48Å; V155-C182 PolarHBondContact O-N 3.16Å; V155-A203 HydrophobicContact CG2-CB 4.24Å
156V98.4Very high97.5Very high0 Ų053 Ų530%026%0.263CS..EExtended strand (participates in β ladder)trans-123.1121.6179.8-173.50000108.7L95 V184 L190 S201 F202L95-V156 HydrophobicContact CD1-CG2 3.97Å; L95-V156 HydrophobicContact CD2-CG1 4.29Å; L95-V156 HydrophobicContact CD2-CG2 4.24Å; V156-V184 HydrophobicContact CG1-CB 4.1Å; V156-V184 HydrophobicContact CG1-CG2 3.64Å; V156-L190 HydrophobicContact CG1-CD2 3.95Å; V156-S201 CarbonylContact O-C 3.55Å; V156-S201 WeakPolarHBondContact O-CA 3.41Å; V156-S201 WeakPolarHBondContact O-CB 3.34Å; V156-F202 HydrophobicContact CB-CD1 4.27Å; V156-F202 HydrophobicContact CB-CD2 4.07Å; V156-F202 HydrophobicContact CB-CE1 4.06Å; V156-F202 HydrophobicContact CB-CE2 3.84Å; V156-F202 HydrophobicContact CB-CG 4.28Å; V156-F202 HydrophobicContact CB-CZ 3.83Å; V156-F202 HydrophobicContact CG1-CE1 4.02Å; V156-F202 HydrophobicContact CG1-CE2 4.5Å; V156-F202 HydrophobicContact CG1-CZ 4Å; V156-F202 HydrophobicContact CG2-CD2 4.02Å; V156-F202 HydrophobicContact CG2-CE1 4.43Å; V156-F202 HydrophobicContact CG2-CE2 3.45Å; V156-F202 VanDerWaalsContact CG2-CE2 3.45Å; V156-F202 HydrophobicContact CG2-CZ 3.7Å; V156-F202 PolarHBondContact N-O 3.09Å; V156-F202 PolarHBondContact O-N 3.16Å
157I98.5Very high97.4Very high0 Ų051.7 Ų51.70%026%0.256CS..EExtended strand (participates in β ladder)trans-117.8137-174.2-46.5170.4000109.2F83 V155 V167 L170 P171 Y181 C182 I183 V184F83-I157 HydrophobicContact CE1-CG2 3.94Å; V155-I157 HydrophobicContact CG1-CD1 4.47Å; V155-I157 HydrophobicContact CG1-CG1 3.95Å; I157-V167 HydrophobicContact CG2-CB 3.87Å; I157-V167 HydrophobicContact CG2-CG1 3.99Å; I157-V167 HydrophobicContact CG2-CG2 4.39Å; I157-L170 HydrophobicContact CD1-CB 3.7Å; I157-L170 HydrophobicContact CD1-CD1 4.41Å; I157-L170 HydrophobicContact CG1-CD1 4.38Å; I157-L170 HydrophobicContact CG2-CD1 4.32Å; I157-P171 HydrophobicContact CD1-CG 4.04Å; I157-Y181 HydrophobicContact CD1-CD2 4.05Å; I157-C182 PolarHBondContact N-O 3.11Å; I157-I183 CarbonylContact O-C 2.97Å; I157-I183 WeakPolarHBondContact O-CA 3.42Å; I157-V184 PolarHBondContact O-N 3.26Å
158A98.4Very high97.4Very high0 Ų053.9 Ų53.90%027%0.269CS..EExtended strand (participates in β ladder)trans-77.5142.5173.900000112.1V161 V184 K187 L190 T200A158-V161 HydrophobicContact CB-CG2 3.85Å; A158-V184 WeakPolarHBondContact CA-O 3.43Å; A158-K187 HydrophobicContact CB-CB 3.62Å; A158-L190 HydrophobicContact CB-CD1 3.71Å; A158-L190 HydrophobicContact CB-CG 4.45Å; A158-T200 WeakPolarHBondContact CB-O 3.08Å; A158-T200 PolarHBondContact N-O 3.26Å
159H97.7Very high97.4Very high65 Ų6553.6 Ų53.630%0.30127%0.267SS..THydrogen-bonded Turntrans-77.4-19.2177.878.1-27.7000115.5F83 A86 I183 V184 G186F83-H159 WeakPolarHBondContact O-CB 3.37Å; A86-H159 HydrophobicContact CB-CB 4.5Å; H159-I183 HydrophobicContact CB-CG2 3.81Å; H159-V184 PolarHBondContact N-O 3.12Å; H159-G186 PolarHBondContact CE1-N 2.66Å; H159-G186 PolarHBondContact ND1-N 2.87Å
160D96.9Very high97.4Very high54 Ų5448.9 Ų48.929%0.28924%0.242SC..THydrogen-bonded Turntrans-114.430-165.354.1-48.1000111.8G186 K187D160-G186 WeakPolarHBondContact OD1-CA 3.39Å; D160-G186 PolarHBondContact OD1-N 3.04Å; D160-K187 VanDerWaalsContact O-CD 3.27Å; D160-K187 WeakPolarHBondContact O-CD 3.38Å; D160-K187 WeakPolarHBondContact O-CE 3.44Å; D160-K187 PolarHBondContact O-NZ 2.85Å; D160-K187 PolarHBondContact OD1-N 3.05Å; D160-K187 WeakPolarHBondContact OD2-CG 3.19Å; D160-K187 PolarHBondContact OD2-N 3.05Å; D160-K187 VanDerWaalsContact OD2-N 3.14Å
161V97.6Very high97.4Very high12 Ų1242 Ų427%0.07321%0.212CC..  trans-72.2134.3174.3-168.80000109.3A158 P163 L166 V167 T200A158-V161 HydrophobicContact CB-CG2 3.85Å; V161-P163 WeakPolarHBondContact CG1-O 3.44Å; V161-L166 HydrophobicContact CG1-CB 4.32Å; V161-L166 HydrophobicContact CG1-CD1 4.35Å; V161-V167 HydrophobicContact CB-CG1 4.37Å; V161-V167 HydrophobicContact CB-CG2 3.91Å; V161-V167 HydrophobicContact CG1-CG1 4.3Å; V161-V167 HydrophobicContact CG1-CG2 4.42Å; V161-V167 HydrophobicContact CG2-CG1 3.98Å; V161-V167 HydrophobicContact CG2-CG2 4.06Å; V161-T200 HydrophobicContact CG1-CG2 3.67Å; V161-T200 HydrophobicContact CG2-CG2 4.1Å
162D95.1Very high97.5Very high94 Ų9437.8 Ų37.850%0.50320%0.201SC..SBendtrans-144.4108.9-178.3-167-8.7000102.8R67R67-D162 IonicContact CZ-OD2 2.71Å; R67-D162 IonicContact NH1-OD2 3.22Å; R67-D162 PolarHBondContact NH1-OD2 3.49Å; R67-D162 IonicContact NH2-OD2 3Å; R67-D162 PolarHBondContact NH2-OD2 3.4Å
163P96.8Very high97.5Very high72 Ų7239 Ų3947%0.46821%0.206SC..SBendcis-72.5145.54.7-14.230.7000114.6V161 E165V161-P163 WeakPolarHBondContact CG1-O 3.44Å; P163-E165 WeakPolarHBondContact CB-OE2 3.16Å
164I96.4Very high97.5Very high31 Ų3135 Ų3516%0.15919%0.187CC..THydrogen-bonded Turntrans-76.7-23.7-172.9-169.161.3000113.4F83 L166 V167 V168F83-I164 HydrophobicContact CD2-CD1 4.05Å; F83-I164 HydrophobicContact CE2-CD1 4.36Å; F83-I164 HydrophobicContact CG-CD1 4.22Å; I164-L166 PolarHBondContact O-N 2.84Å; I164-L166 VanDerWaalsContact O-N 3.13Å; I164-V167 HydrophobicContact CD1-CG2 3.86Å; I164-V167 WeakPolarHBondContact O-CG2 3.1Å; I164-V167 PolarHBondContact O-N 2.88Å; I164-V168 PolarHBondContact O-N 3.24Å
165E96.7Very high97.5Very high123 Ų12339.3 Ų39.358%0.57520%0.204SC*.Hα-helixtrans-55.7-30.9179.9-62.173.2-16200111.4P163 V167P163-E165 WeakPolarHBondContact CB-OE2 3.16Å; E165-V167 PolarHBondContact O-N 3.3Å
166L97.1Very high97.4Very high78 Ų7847.7 Ų47.741%0.40824%0.24SC..Hα-helixtrans-62.1-20176.3-61.5-179.7000114.2V140 V161 I164V140-L166 WeakPolarHBondContact CG2-O 3.46Å; V161-L166 HydrophobicContact CG1-CB 4.32Å; V161-L166 HydrophobicContact CG1-CD1 4.35Å; I164-L166 PolarHBondContact O-N 2.84Å; I164-L166 VanDerWaalsContact O-N 3.13Å
167V97.7Very high97.4Very high0 Ų050 Ų500%025%0.251CS..Hα-helixtrans-131.8-12.2-176.7-62.10000114.4F83 I157 V161 I164 E165 F169 L170 P171F83-V167 HydrophobicContact CE1-CB 4.36Å; F83-V167 HydrophobicContact CE1-CG2 3.86Å; F83-V167 HydrophobicContact CZ-CB 4.35Å; F83-V167 HydrophobicContact CZ-CG2 3.93Å; F83-V167 WeakPolarHBondContact CZ-O 3.15Å; I157-V167 HydrophobicContact CG2-CB 3.87Å; I157-V167 HydrophobicContact CG2-CG1 3.99Å; I157-V167 HydrophobicContact CG2-CG2 4.39Å; V161-V167 HydrophobicContact CB-CG1 4.37Å; V161-V167 HydrophobicContact CB-CG2 3.91Å; V161-V167 HydrophobicContact CG1-CG1 4.3Å; V161-V167 HydrophobicContact CG1-CG2 4.42Å; V161-V167 HydrophobicContact CG2-CG1 3.98Å; V161-V167 HydrophobicContact CG2-CG2 4.06Å; I164-V167 HydrophobicContact CD1-CG2 3.86Å; I164-V167 WeakPolarHBondContact O-CG2 3.1Å; I164-V167 PolarHBondContact O-N 2.88Å; E165-V167 PolarHBondContact O-N 3.3Å; V167-F169 PolarHBondContact O-N 3.15Å; V167-F169 VanDerWaalsContact O-N 3.09Å; V167-L170 HydrophobicContact CB-CD1 4.05Å; V167-L170 HydrophobicContact CG1-CD1 3.89Å; V167-L170 WeakPolarHBondContact O-CB 3.29Å; V167-L170 PolarHBondContact O-N 2.82Å; V167-P171 WeakPolarHBondContact O-CD 3.49Å
168V97.6Very high97.3Very high45 Ų4552.8 Ų52.827%0.27328%0.281SS..Hα-helixtrans-54.9-32.7-175.271.90000113.9A79 I164A79-V168 HydrophobicContact CB-CG2 4.17Å; I164-V168 PolarHBondContact O-N 3.24Å
169F97.8Very high97.3Very high89 Ų8953.1 Ų53.139%0.3928%0.282SS..THydrogen-bonded Turntrans-86-17.5-18070-85.8000114.1V140 T144 V167 A172 L173V140-F169 HydrophobicContact CG2-CZ 4.11Å; T144-F169 HydrophobicContact CG2-CE2 3.52Å; T144-F169 HydrophobicContact CG2-CZ 3.7Å; V167-F169 PolarHBondContact O-N 3.15Å; V167-F169 VanDerWaalsContact O-N 3.09Å; F169-A172 PolarHBondContact O-N 2.91Å; F169-L173 HydrophobicContact CD2-CD2 4.45Å; F169-L173 HydrophobicContact CE2-CD2 4.29Å; F169-L173 PolarHBondContact O-N 2.96Å
170L97.7Very high97.3Very high0 Ų050.9 Ų50.90%027%0.274CS..Hα-helixtrans-61.3-44.9-173.6-78.8173.4000113.6V140 T144 I157 V167 A172 L173 C174V140-L170 HydrophobicContact CG2-CD1 4.36Å; T144-L170 HydrophobicContact CG2-CD2 3.62Å; I157-L170 HydrophobicContact CD1-CB 3.7Å; I157-L170 HydrophobicContact CD1-CD1 4.41Å; I157-L170 HydrophobicContact CG1-CD1 4.38Å; I157-L170 HydrophobicContact CG2-CD1 4.32Å; V167-L170 HydrophobicContact CB-CD1 4.05Å; V167-L170 HydrophobicContact CG1-CD1 3.89Å; V167-L170 WeakPolarHBondContact O-CB 3.29Å; V167-L170 PolarHBondContact O-N 2.82Å; L170-A172 VanDerWaalsContact C-N 3.32Å; L170-A172 PolarHBondContact O-N 3.12Å; L170-L173 PolarHBondContact O-N 3.24Å; L170-C174 WeakPolarHBondContact O-CB 3.32Å; L170-C174 PolarHBondContact O-N 3.03Å; L170-C174 PolarHBondContact O-SG 3.15Å
171P97.8Very high97.4Very high0 Ų048.3 Ų48.30%026%0.26CS..Hα-helixtrans-57.3-43.2176.2-29.739.3000113Q82 F83 I157 V167 C174 R175 Y181 Y230Q82-P171 VanDerWaalsContact OE1-CB 3.25Å; F83-P171 HydrophobicContact CE1-CG 4.43Å; F83-P171 HydrophobicContact CZ-CG 3.93Å; I157-P171 HydrophobicContact CD1-CG 4.04Å; V167-P171 WeakPolarHBondContact O-CD 3.49Å; P171-C174 PolarHBondContact O-N 2.94Å; P171-R175 WeakPolarHBondContact O-CB 3.34Å; P171-R175 PolarHBondContact O-N 2.82Å; P171-Y181 HydrophobicContact CB-CD2 4.15Å; P171-Y181 HydrophobicContact CB-CE1 4.48Å; P171-Y181 HydrophobicContact CB-CE2 3.6Å; P171-Y181 HydrophobicContact CG-CD2 4.36Å; P171-Y181 HydrophobicContact CG-CE2 4.01Å; P171-Y230 HydrophobicContact CB-CE2 4.46Å
172A97.6Very high97.4Very high40 Ų4047.8 Ų47.833%0.33126%0.257SS..Hα-helixtrans-65.3-43.3178.500000111.9F169 L170 R175 K176 Y230F169-A172 PolarHBondContact O-N 2.91Å; L170-A172 VanDerWaalsContact C-N 3.32Å; L170-A172 PolarHBondContact O-N 3.12Å; A172-R175 PolarHBondContact O-N 2.98Å; A172-K176 WeakPolarHBondContact O-CB 3.38Å; A172-K176 PolarHBondContact O-N 3.1Å; A172-Y230 WeakPolarHBondContact CA-OH 3.34Å; A172-Y230 VanDerWaalsContact CB-OH 3.24Å; A172-Y230 WeakPolarHBondContact CB-OH 3.39Å
173L98.1Very high97.6Very high31 Ų3143.3 Ų43.316%0.16223%0.233CC..Hα-helixtrans-62.9-47.4175.9-178.564.3000111.5T144 V147 E148 F169 L170 R175 K176 M177T144-L173 HydrophobicContact CG2-CD2 4.2Å; V147-L173 HydrophobicContact CB-CD2 4.45Å; V147-L173 HydrophobicContact CG1-CD2 4.28Å; V147-L173 HydrophobicContact CG1-CG 3.84Å; E148-L173 HydrophobicContact CG-CD1 4.22Å; E148-L173 HydrophobicContact CG-CD2 4.41Å; F169-L173 HydrophobicContact CD2-CD2 4.45Å; F169-L173 HydrophobicContact CE2-CD2 4.29Å; F169-L173 PolarHBondContact O-N 2.96Å; L170-L173 PolarHBondContact O-N 3.24Å; L173-R175 PolarHBondContact O-N 3.12Å; L173-K176 PolarHBondContact O-N 2.97Å; L173-M177 HydrophobicContact CD1-CG 4.14Å; L173-M177 WeakPolarHBondContact O-CG 3.38Å; L173-M177 PolarHBondContact O-N 2.99Å
174C98Very high97.6Very high0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-59.6-46.6178.1-65.10000111.1L170 P171 M177 G178 V179 Y181L170-C174 WeakPolarHBondContact O-CB 3.32Å; L170-C174 PolarHBondContact O-N 3.03Å; L170-C174 PolarHBondContact O-SG 3.15Å; P171-C174 PolarHBondContact O-N 2.94Å; C174-M177 PolarHBondContact O-N 3.17Å; C174-G178 PolarHBondContact O-N 2.92Å; C174-G178 VanDerWaalsContact O-N 3.1Å; C174-V179 CarbonylContact C-O 3.58Å; C174-V179 HydrophobicContact CB-CB 4.48Å; C174-V179 PolarHBondContact O-N 3.1Å; C174-Y181 HydrophobicContact CB-CD1 3.91Å; C174-Y181 HydrophobicContact CB-CG 4.05Å
175R96.8Very high97.7Very high91 Ų9144.1 Ų44.134%0.34323%0.228SC..Hα-helixtrans-60.8-46.8175.9-166.2-129.6-174.1168.8-0.4112.1P171 A172 L173 M177 G178 Y230 E231P171-R175 WeakPolarHBondContact O-CB 3.34Å; P171-R175 PolarHBondContact O-N 2.82Å; A172-R175 PolarHBondContact O-N 2.98Å; L173-R175 PolarHBondContact O-N 3.12Å; R175-M177 VanDerWaalsContact C-N 3.31Å; R175-M177 PolarHBondContact O-N 3.49Å; R175-G178 PolarHBondContact O-N 2.86Å; R175-Y230 HydrophobicContact CB-CD2 3.89Å; R175-Y230 HydrophobicContact CB-CE2 4.05Å; R175-Y230 HydrophobicContact CB-CG 4.36Å; R175-Y230 HydrophobicContact CG-CD1 4.37Å; R175-Y230 HydrophobicContact CG-CD2 3.92Å; R175-Y230 HydrophobicContact CG-CE2 4.44Å; R175-Y230 HydrophobicContact CG-CG 3.88Å; R175-Y230 VanDerWaalsContact CZ-CD1 3.4Å; R175-E231 IonicContact CZ-OE1 3.1Å; R175-E231 VanDerWaalsContact CZ-OE1 3.27Å; R175-E231 IonicContact NH1-OE1 2.7Å; R175-E231 PolarHBondContact NH1-OE1 3.29Å; R175-E231 IonicContact NH2-OE1 2.67Å; R175-E231 PolarHBondContact NH2-OE1 2.77Å
176K97.4Very high97.6Very high177 Ų17738.9 Ų38.977%0.7721%0.207SC*.Hα-helixtrans-61.3-37.3179.1-174.7177.6179.4-177.80112.5A172 L173 G178A172-K176 WeakPolarHBondContact O-CB 3.38Å; A172-K176 PolarHBondContact O-N 3.1Å; L173-K176 PolarHBondContact O-N 2.97Å; K176-G178 VanDerWaalsContact C-N 3.34Å
177M98Very high97.6Very high47 Ų4737.5 Ų37.523%0.23220%0.198CC..Hα-helixtrans-86.5-1.9179.9-58.7-48-7800114V147 E148 K150 L173 C174 R175 V179V147-M177 HydrophobicContact CG1-CB 3.84Å; V147-M177 HydrophobicContact CG1-CG 3.93Å; V147-M177 WeakPolarHBondContact O-CB 3.46Å; E148-M177 WeakPolarHBondContact O-CE 3.08Å; K150-M177 WeakPolarHBondContact CE-O 3.35Å; K150-M177 HydrophobicContact CG-CE 4.2Å; L173-M177 HydrophobicContact CD1-CG 4.14Å; L173-M177 WeakPolarHBondContact O-CG 3.38Å; L173-M177 PolarHBondContact O-N 2.99Å; C174-M177 PolarHBondContact O-N 3.17Å; R175-M177 VanDerWaalsContact C-N 3.31Å; R175-M177 PolarHBondContact O-N 3.49Å; M177-V179 VanDerWaalsContact C-N 3.33Å; M177-V179 HydrophobicContact CB-CG2 4.26Å
178G96.3Very high97.6Very high60 Ų6040.2 Ų40.262%0.61922%0.22SC*.THydrogen-bonded Turntrans76.515.7-178.700000114.4C174 R175 K176C174-G178 PolarHBondContact O-N 2.92Å; C174-G178 VanDerWaalsContact O-N 3.1Å; R175-G178 PolarHBondContact O-N 2.86Å; K176-G178 VanDerWaalsContact C-N 3.34Å
179V97.9Very high97.6Very high6 Ų643.5 Ų43.54%0.03623%0.228CC..  trans-90.2126.9-177.51800000110.4V147 A152 V155 C174 M177 N227V147-V179 HydrophobicContact CG1-CB 4.35Å; V147-V179 HydrophobicContact CG1-CG2 4.1Å; V147-V179 HydrophobicContact CG2-CG1 4.43Å; A152-V179 HydrophobicContact CB-CG1 3.98Å; V155-V179 HydrophobicContact CG2-CG1 3.78Å; C174-V179 CarbonylContact C-O 3.58Å; C174-V179 HydrophobicContact CB-CB 4.48Å; C174-V179 PolarHBondContact O-N 3.1Å; M177-V179 VanDerWaalsContact C-N 3.33Å; M177-V179 HydrophobicContact CB-CG2 4.26Å; V179-N227 PolarHBondContact O-ND2 3.04Å
180P98.3Very high97.6Very high18 Ų1839.3 Ų39.312%0.11721%0.209CC..  trans-59133.6171.8-24.134.1000112.2L154 V155 V219 N227L154-P180 HydrophobicContact CD1-CB 4.06Å; V155-P180 PolarHBondContact N-O 2.86Å; P180-V219 HydrophobicContact CB-CG1 4.12Å; P180-V219 HydrophobicContact CG-CG1 3.66Å; P180-N227 WeakPolarHBondContact CA-OD1 3.34Å
181Y98.4Very high97.5Very high1 Ų139.3 Ų39.30%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-134150.4176.779.6-79.3000112.3V155 I157 P171 C174 I183 I222 Y226 N227V155-Y181 CarbonylContact O-C 3.46Å; V155-Y181 VanDerWaalsContact O-CA 3.3Å; V155-Y181 WeakPolarHBondContact O-CA 3.48Å; I157-Y181 HydrophobicContact CD1-CD2 4.05Å; P171-Y181 HydrophobicContact CB-CD2 4.15Å; P171-Y181 HydrophobicContact CB-CE1 4.48Å; P171-Y181 HydrophobicContact CB-CE2 3.6Å; P171-Y181 HydrophobicContact CG-CD2 4.36Å; P171-Y181 HydrophobicContact CG-CE2 4.01Å; C174-Y181 HydrophobicContact CB-CD1 3.91Å; C174-Y181 HydrophobicContact CB-CG 4.05Å; Y181-I183 HydrophobicContact CE2-CD1 4.48Å; Y181-I183 HydrophobicContact CE2-CG1 4.4Å; Y181-I222 WeakPolarHBondContact O-CG2 3.21Å; Y181-Y226 HydrophobicContact CD2-CD1 4.39Å; Y181-Y226 AromaticContact CE2-CD1 3.73Å; Y181-Y226 HydrophobicContact CE2-CD1 3.73Å; Y181-Y226 HydrophobicContact CE2-CG 4.26Å; Y181-Y226 WeakPolarHBondContact O-CB 3.35Å; Y181-Y226 PolarHBondContact OH-O 3.19Å; Y181-N227 VanDerWaalsContact CD1-OD1 3.25Å; Y181-N227 WeakPolarHBondContact CD1-OD1 3.39Å; Y181-N227 PolarHBondContact N-OD1 3.14Å
182C98.1Very high97.5Very high0 Ų048.7 Ų48.70%025%0.245CC..EExtended strand (participates in β ladder)trans-134.5153.3169.563.60000111.9L87 V155 I157 I222 Y226L87-C182 HydrophobicContact CD2-CB 4.39Å; V155-C182 PolarHBondContact O-N 3.16Å; I157-C182 PolarHBondContact N-O 3.11Å; C182-I222 HydrophobicContact CB-CD1 4Å; C182-I222 HydrophobicContact CB-CG1 4.03Å; C182-I222 HydrophobicContact CB-CG2 3.71Å; C182-Y226 HydrophobicContact CB-CD2 4.13Å; C182-Y226 HydrophobicContact CB-CE2 3.89Å
183I98.4Very high97.4Very high1 Ų147.3 Ų47.31%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-103.9129.7174-59.8174.3000108.3Q82 F83 A86 L87 I157 H159 Y181 Y226Q82-I183 HydrophobicContact CB-CD1 4.44Å; Q82-I183 HydrophobicContact CG-CD1 4.4Å; Q82-I183 WeakPolarHBondContact O-CD1 3.46Å; F83-I183 HydrophobicContact CD1-CD1 3.88Å; F83-I183 HydrophobicContact CD1-CG1 4.35Å; F83-I183 HydrophobicContact CD1-CG2 4.07Å; F83-I183 HydrophobicContact CE1-CD1 4.08Å; F83-I183 HydrophobicContact CE1-CG1 4.44Å; F83-I183 HydrophobicContact CG-CD1 4.39Å; A86-I183 CarbonylContact C-O 3.49Å; A86-I183 WeakPolarHBondContact CA-O 3.25Å; A86-I183 HydrophobicContact CB-CG2 4.2Å; L87-I183 WeakPolarHBondContact CB-O 3.3Å; L87-I183 PolarHBondContact N-O 3.16Å; I157-I183 CarbonylContact O-C 2.97Å; I157-I183 WeakPolarHBondContact O-CA 3.42Å; H159-I183 HydrophobicContact CB-CG2 3.81Å; Y181-I183 HydrophobicContact CE2-CD1 4.48Å; Y181-I183 HydrophobicContact CE2-CG1 4.4Å; I183-Y226 HydrophobicContact CB-CE1 3.93Å; I183-Y226 HydrophobicContact CD1-CE1 4.24Å; I183-Y226 HydrophobicContact CG1-CE1 3.97Å; I183-Y226 PolarHBondContact O-OH 3.36Å
184V98.1Very high97.3Very high1 Ų146.3 Ų46.31%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-126.8141.8-171.51740000111.3L87 F96 V156 I157 A158 H159 G186 L190L87-V184 HydrophobicContact CB-CG2 4.32Å; L87-V184 HydrophobicContact CD2-CG2 4.27Å; F96-V184 HydrophobicContact CE2-CG1 3.55Å; F96-V184 HydrophobicContact CZ-CG1 3.81Å; V156-V184 HydrophobicContact CG1-CB 4.1Å; V156-V184 HydrophobicContact CG1-CG2 3.64Å; I157-V184 PolarHBondContact O-N 3.26Å; A158-V184 WeakPolarHBondContact CA-O 3.43Å; H159-V184 PolarHBondContact N-O 3.12Å; V184-G186 PolarHBondContact O-N 3.36Å; V184-L190 HydrophobicContact CG1-CD2 4.39Å
185K97.1Very high97.2Very high118 Ų11850.4 Ų50.451%0.51325%0.245SC..SBendtrans-72.5114.4179.3-59.7-171.3-179.2176.40111.9A86 R189A86-K185 HydrophobicContact CB-CD 4.38Å; A86-K185 HydrophobicContact CB-CG 3.57Å; K185-R189 WeakPolarHBondContact O-CD 3.46Å; K185-R189 PolarHBondContact O-NH1 3.3Å
186G95.5Very high97.2Very high13 Ų1354 Ų5413%0.13426%0.259CS..  trans103.7100.4164.500000115.3H159 D160 V184 A188 R189 L190H159-G186 PolarHBondContact CE1-N 2.66Å; H159-G186 PolarHBondContact ND1-N 2.87Å; D160-G186 WeakPolarHBondContact OD1-CA 3.39Å; D160-G186 PolarHBondContact OD1-N 3.04Å; V184-G186 PolarHBondContact O-N 3.36Å; G186-A188 PolarHBondContact O-N 2.9Å; G186-A188 VanDerWaalsContact O-N 3.16Å; G186-R189 WeakPolarHBondContact O-CB 3.35Å; G186-R189 PolarHBondContact O-N 3.39Å; G186-L190 PolarHBondContact O-N 3.07Å
187K97.4Very high97.2Very high50 Ų5054.9 Ų54.922%0.21726%0.263CS..Hα-helixtrans-58.9-25.6172.571.8-172.2165.7-163.80113.2A158 D160 G191 T198 C199A158-K187 HydrophobicContact CB-CB 3.62Å; D160-K187 VanDerWaalsContact O-CD 3.27Å; D160-K187 WeakPolarHBondContact O-CD 3.38Å; D160-K187 WeakPolarHBondContact O-CE 3.44Å; D160-K187 PolarHBondContact O-NZ 2.85Å; D160-K187 PolarHBondContact OD1-N 3.05Å; D160-K187 WeakPolarHBondContact OD2-CG 3.19Å; D160-K187 PolarHBondContact OD2-N 3.05Å; D160-K187 VanDerWaalsContact OD2-N 3.14Å; K187-G191 PolarHBondContact O-N 2.84Å; K187-T198 HydrophobicContact CD-CG2 4.23Å; K187-T198 HydrophobicContact CG-CG2 3.86Å; K187-T198 WeakPolarHBondContact O-CA 3.47Å; K187-C199 WeakPolarHBondContact CB-O 3.25Å; K187-C199 PolarHBondContact O-N 3.41Å
188A97.7Very high97.2Very high57 Ų5756.1 Ų56.147%0.47127%0.273SS..Hα-helixtrans-67.7-34.7172.200000112.8G186 G191 R192G186-A188 PolarHBondContact O-N 2.9Å; G186-A188 VanDerWaalsContact O-N 3.16Å; A188-G191 PolarHBondContact O-N 2.8Å; A188-R192 PolarHBondContact O-N 3.38Å
189R96.8Very high97.3Very high114 Ų11453.6 Ų53.643%0.4325%0.246SC..Hα-helixtrans-69.6-43.1176.1-65.8176.167.3-155.27111.1F96 K185 G186 G191 R192 L193F96-R189 VanDerWaalsContact CD2-NH2 3.25Å; F96-R189 HydrophobicContact CE1-CB 4.19Å; F96-R189 HydrophobicContact CZ-CB 3.8Å; K185-R189 WeakPolarHBondContact O-CD 3.46Å; K185-R189 PolarHBondContact O-NH1 3.3Å; G186-R189 WeakPolarHBondContact O-CB 3.35Å; G186-R189 PolarHBondContact O-N 3.39Å; R189-G191 VanDerWaalsContact C-N 3.29Å; R189-G191 PolarHBondContact O-N 3.23Å; R189-R192 PolarHBondContact O-N 3.25Å; R189-L193 PolarHBondContact O-N 2.87Å
190L97.4Very high97.3Very high0 Ų054.7 Ų54.70%025%0.253CS..Hα-helixtrans-61.2-40170.8-50.3-169.1000110.9F96 V156 A158 V184 G186 L193 V194 C199 F202F96-L190 HydrophobicContact CE1-CD2 3.89Å; F96-L190 HydrophobicContact CZ-CD2 3.63Å; V156-L190 HydrophobicContact CG1-CD2 3.95Å; A158-L190 HydrophobicContact CB-CD1 3.71Å; A158-L190 HydrophobicContact CB-CG 4.45Å; V184-L190 HydrophobicContact CG1-CD2 4.39Å; G186-L190 PolarHBondContact O-N 3.07Å; L190-L193 WeakPolarHBondContact O-CB 3.4Å; L190-L193 PolarHBondContact O-N 3.26Å; L190-V194 PolarHBondContact O-N 3.04Å; L190-C199 HydrophobicContact CB-CB 3.79Å; L190-F202 HydrophobicContact CB-CD1 4.32Å; L190-F202 HydrophobicContact CD1-CD1 4.48Å; L190-F202 HydrophobicContact CD2-CD1 4.01Å; L190-F202 HydrophobicContact CD2-CE1 3.58Å; L190-F202 HydrophobicContact CG-CD1 4.49Å
191G97.3Very high97.2Very high0 Ų053.8 Ų53.80%025%0.247CC..Hα-helixtrans-59.1-51.7176.500000113.4K187 A188 R189 L193 V194 H195 R196 T198K187-G191 PolarHBondContact O-N 2.84Å; A188-G191 PolarHBondContact O-N 2.8Å; R189-G191 VanDerWaalsContact C-N 3.29Å; R189-G191 PolarHBondContact O-N 3.23Å; G191-L193 PolarHBondContact O-N 2.64Å; G191-V194 CarbonylContact O-C 3.54Å; G191-V194 WeakPolarHBondContact O-CG2 3.38Å; G191-V194 PolarHBondContact O-N 3.26Å; G191-H195 PolarHBondContact O-N 3.14Å; G191-H195 VanDerWaalsContact O-N 3.11Å; G191-R196 CarbonylContact C-O 3.58Å; G191-R196 WeakPolarHBondContact CA-O 3.38Å; G191-R196 PolarHBondContact O-N 3.38Å; G191-T198 VanDerWaalsContact CA-C 3.47Å
192R96.5Very high97.2Very high198 Ų19853.8 Ų53.875%0.74725%0.247SC*.Hα-helixtrans-57-37.5-178.9-177.159.6174.9-173.90.1112.4R103 A188 R189 V194 H195 R196R103-R192 PolarHBondContact NH2-O 3.29Å; A188-R192 PolarHBondContact O-N 3.38Å; R189-R192 PolarHBondContact O-N 3.25Å; R192-V194 VanDerWaalsContact C-N 3.35Å; R192-V194 PolarHBondContact O-N 3.09Å; R192-H195 PolarHBondContact O-N 3.01Å; R192-R196 PolarHBondContact N-O 3.39Å
193L95.9Very high97.2Very high10 Ų1053.8 Ų53.85%0.05225%0.247CC..Hα-helixtrans-60.4-42.5177-171.669.7000112.2F96 A99 H100 R103 L136 R189 L190 G191 F202F96-L193 HydrophobicContact CD1-CD2 4.43Å; A99-L193 HydrophobicContact CB-CD1 4.34Å; A99-L193 HydrophobicContact CB-CD2 3.72Å; H100-L193 HydrophobicContact CB-CD1 4.45Å; R103-L193 HydrophobicContact CG-CD1 3.67Å; R103-L193 HydrophobicContact CG-CG 4.17Å; R103-L193 WeakPolarHBondContact CG-O 3.34Å; R103-L193 PolarHBondContact NE-O 3.05Å; L136-L193 HydrophobicContact CD1-CD2 3.48Å; L136-L193 VanDerWaalsContact CD1-CD2 3.48Å; L136-L193 HydrophobicContact CD1-CG 3.91Å; R189-L193 PolarHBondContact O-N 2.87Å; L190-L193 WeakPolarHBondContact O-CB 3.4Å; L190-L193 PolarHBondContact O-N 3.26Å; G191-L193 PolarHBondContact O-N 2.64Å; L193-F202 HydrophobicContact CD2-CD1 4.17Å; L193-F202 HydrophobicContact CD2-CE1 3.52Å; L193-F202 HydrophobicContact CD2-CZ 3.81Å
194V96.4Very high97.2Very high10 Ų1053.8 Ų53.86%0.06125%0.247CC..THydrogen-bonded Turntrans-98.618.9-177.7-54.20000113.7P104 A138 L190 G191 R192 R196 C199P104-V194 HydrophobicContact CG-CB 4.06Å; P104-V194 HydrophobicContact CG-CG1 4.31Å; A138-V194 HydrophobicContact CB-CB 4.33Å; A138-V194 HydrophobicContact CB-CG1 3.8Å; A138-V194 HydrophobicContact CB-CG2 4.42Å; L190-V194 PolarHBondContact O-N 3.04Å; G191-V194 CarbonylContact O-C 3.54Å; G191-V194 WeakPolarHBondContact O-CG2 3.38Å; G191-V194 PolarHBondContact O-N 3.26Å; R192-V194 VanDerWaalsContact C-N 3.35Å; R192-V194 PolarHBondContact O-N 3.09Å; V194-R196 VanDerWaalsContact C-N 3.3Å; V194-R196 HydrophobicContact CG2-CB 4.21Å; V194-R196 HydrophobicContact CG2-CG 4.2Å; V194-R196 PolarHBondContact O-N 3.21Å; V194-C199 HydrophobicContact CG2-CB 3.89Å
195H96.6Very high97.1Very high86 Ų8654.9 Ų54.940%0.39825%0.254SS..THydrogen-bonded Turntrans58.535.5178.3-53.6-99.5000114.2R103 P104 T106 G191 R192R103-H195 PolarHBondContact NH2-CE1 2.72Å; R103-H195 PolarHBondContact NH2-NE2 3.11Å; P104-H195 PolarHBondContact O-CD2 3.22Å; P104-H195 PolarHBondContact O-NE2 3.34Å; T106-H195 WeakPolarHBondContact CG2-CE1 3.33Å; T106-H195 WeakPolarHBondContact CG2-ND1 3.47Å; G191-H195 PolarHBondContact O-N 3.14Å; G191-H195 VanDerWaalsContact O-N 3.11Å; R192-H195 PolarHBondContact O-N 3.01Å
196R96.2Very high96.9Very high166 Ų16653.5 Ų53.563%0.62625%0.249SC*.SBendtrans-123.5163.9175.3-65-177.9-179.6-164.9-0.5111.1G191 R192 V194 T198G191-R196 CarbonylContact C-O 3.58Å; G191-R196 WeakPolarHBondContact CA-O 3.38Å; G191-R196 PolarHBondContact O-N 3.38Å; R192-R196 PolarHBondContact N-O 3.39Å; V194-R196 VanDerWaalsContact C-N 3.3Å; V194-R196 HydrophobicContact CG2-CB 4.21Å; V194-R196 HydrophobicContact CG2-CG 4.2Å; V194-R196 PolarHBondContact O-N 3.21Å; R196-T198 VanDerWaalsContact C-N 3.31Å; R196-T198 WeakPolarHBondContact CB-O 3.11Å; R196-T198 PolarHBondContact O-N 2.93Å
197K97.3Very high97Very high197 Ų19753.6 Ų53.686%0.85725%0.247SC*.SBendtrans-62.1-40.5173.6-67.6-176.7178.8-179.90111.6
198T97.9Very high96.9Very high72 Ų7254.4 Ų54.444%0.44225%0.254SS..  trans-144.6159.3179.654.60000110.2K187 G191 R196K187-T198 HydrophobicContact CD-CG2 4.23Å; K187-T198 HydrophobicContact CG-CG2 3.86Å; K187-T198 WeakPolarHBondContact O-CA 3.47Å; G191-T198 VanDerWaalsContact CA-C 3.47Å; R196-T198 VanDerWaalsContact C-N 3.31Å; R196-T198 WeakPolarHBondContact CB-O 3.11Å; R196-T198 PolarHBondContact O-N 2.93Å
199C97.8Very high96.8Very high7 Ų756.4 Ų56.45%0.04726%0.262CS..  trans-144.3136.4167.2-174.70000108.6K187 L190 V194 S201K187-C199 WeakPolarHBondContact CB-O 3.25Å; K187-C199 PolarHBondContact O-N 3.41Å; L190-C199 HydrophobicContact CB-CB 3.79Å; V194-C199 HydrophobicContact CG2-CB 3.89Å; C199-S201 PolarHBondContact SG-O 3.18Å
200T97.6Very high96.8Very high29 Ų2958.7 Ų58.718%0.17828%0.277CS..SBendtrans-81.9-45.4-177.3510000112A158 V161A158-T200 WeakPolarHBondContact CB-O 3.08Å; A158-T200 PolarHBondContact N-O 3.26Å; V161-T200 HydrophobicContact CG1-CG2 3.67Å; V161-T200 HydrophobicContact CG2-CG2 4.1Å
201S97.8Very high96.8Very high0 Ų059.2 Ų59.20%028%0.28CS..EExtended strand (participates in β ladder)trans-150.1153.6175.558.50000112G139 V156 C199G139-S201 PolarHBondContact N-O 2.59Å; V156-S201 CarbonylContact O-C 3.55Å; V156-S201 WeakPolarHBondContact O-CA 3.41Å; V156-S201 WeakPolarHBondContact O-CB 3.34Å; C199-S201 PolarHBondContact SG-O 3.18Å
202F97.9Very high96.7Very high0 Ų065.5 Ų65.50%031%0.308CS..EExtended strand (participates in β ladder)trans-136.5162166.273.4-111.1000111.2L95 A99 L136 R137 A138 V156 L190 L193 F204L95-F202 HydrophobicContact CD2-CZ 4.23Å; A99-F202 HydrophobicContact CB-CE2 4.34Å; A99-F202 HydrophobicContact CB-CZ 3.99Å; L136-F202 HydrophobicContact CD1-CD2 4.4Å; L136-F202 HydrophobicContact CD1-CE2 4.35Å; L136-F202 HydrophobicContact CD2-CD2 3.77Å; L136-F202 HydrophobicContact CD2-CE2 3.79Å; R137-F202 CarbonylContact O-C 3.54Å; R137-F202 WeakPolarHBondContact O-CA 3.3Å; R137-F202 WeakPolarHBondContact O-CB 3.49Å; A138-F202 HydrophobicContact CB-CB 4.07Å; V156-F202 HydrophobicContact CB-CD1 4.27Å; V156-F202 HydrophobicContact CB-CD2 4.07Å; V156-F202 HydrophobicContact CB-CE1 4.06Å; V156-F202 HydrophobicContact CB-CE2 3.84Å; V156-F202 HydrophobicContact CB-CG 4.28Å; V156-F202 HydrophobicContact CB-CZ 3.83Å; V156-F202 HydrophobicContact CG1-CE1 4.02Å; V156-F202 HydrophobicContact CG1-CE2 4.5Å; V156-F202 HydrophobicContact CG1-CZ 4Å; V156-F202 HydrophobicContact CG2-CD2 4.02Å; V156-F202 HydrophobicContact CG2-CE1 4.43Å; V156-F202 HydrophobicContact CG2-CE2 3.45Å; V156-F202 VanDerWaalsContact CG2-CE2 3.45Å; V156-F202 HydrophobicContact CG2-CZ 3.7Å; V156-F202 PolarHBondContact N-O 3.09Å; V156-F202 PolarHBondContact O-N 3.16Å; L190-F202 HydrophobicContact CB-CD1 4.32Å; L190-F202 HydrophobicContact CD1-CD1 4.48Å; L190-F202 HydrophobicContact CD2-CD1 4.01Å; L190-F202 HydrophobicContact CD2-CE1 3.58Å; L190-F202 HydrophobicContact CG-CD1 4.49Å; L193-F202 HydrophobicContact CD2-CD1 4.17Å; L193-F202 HydrophobicContact CD2-CE1 3.52Å; L193-F202 HydrophobicContact CD2-CZ 3.81Å; F202-F204 HydrophobicContact CE2-CD2 4.21Å; F202-F204 AromaticContact CE2-CE2 3.82Å; F202-F204 HydrophobicContact CE2-CE2 3.82Å; F202-F204 HydrophobicContact CE2-CZ 4.45Å
203A98.1Very high96.8Very high0 Ų058.2 Ų58.20%029%0.294CS..EExtended strand (participates in β ladder)trans-131.7144.4175.700000111.9R137 V143 A152 L154 V155R137-A203 PolarHBondContact N-O 2.9Å; R137-A203 PolarHBondContact O-N 2.82Å; V143-A203 HydrophobicContact CG1-CB 4.39Å; V143-A203 HydrophobicContact CG2-CB 4.2Å; A152-A203 HydrophobicContact CB-CB 4.09Å; L154-A203 CarbonylContact O-C 3.52Å; L154-A203 VanDerWaalsContact O-CA 3.26Å; L154-A203 WeakPolarHBondContact O-CA 3.49Å; V155-A203 HydrophobicContact CG2-CB 4.24Å
204F97.9Very high96.8Very high2 Ų260 Ų601%0.00931%0.31CS..EExtended strand (participates in β ladder)trans-82.6129.1158.8-69.1-90.9000108.4L98 A99 Y102 L136 Q153 L154 F202 V207 L215L98-F204 HydrophobicContact CD2-CE1 4.22Å; L98-F204 HydrophobicContact CD2-CZ 4.13Å; L98-F204 HydrophobicContact CG-CE1 4.07Å; L98-F204 HydrophobicContact CG-CZ 4.08Å; A99-F204 HydrophobicContact CB-CE1 4.46Å; A99-F204 HydrophobicContact CB-CE2 4.4Å; A99-F204 HydrophobicContact CB-CZ 3.68Å; Y102-F204 HydrophobicContact CD2-CE1 4.06Å; Y102-F204 HydrophobicContact CG-CE1 4.45Å; L136-F204 HydrophobicContact CD2-CD1 3.67Å; L136-F204 HydrophobicContact CD2-CD2 4.22Å; L136-F204 HydrophobicContact CD2-CE1 3.63Å; L136-F204 HydrophobicContact CD2-CE2 4.18Å; L136-F204 HydrophobicContact CD2-CG 3.99Å; L136-F204 HydrophobicContact CD2-CZ 3.9Å; Q153-F204 PolarHBondContact N-O 2.83Å; L154-F204 HydrophobicContact CB-CB 4.43Å; L154-F204 HydrophobicContact CB-CD2 4.14Å; L154-F204 HydrophobicContact CD2-CD2 4.03Å; L154-F204 HydrophobicContact CD2-CE2 4.18Å; L154-F204 HydrophobicContact CG-CD2 4.31Å; L154-F204 PolarHBondContact O-N 3.15Å; F202-F204 HydrophobicContact CE2-CD2 4.21Å; F202-F204 AromaticContact CE2-CE2 3.82Å; F202-F204 HydrophobicContact CE2-CE2 3.82Å; F202-F204 HydrophobicContact CE2-CZ 4.45Å; F204-V207 HydrophobicContact CD1-CG1 3.86Å; F204-V207 HydrophobicContact CE1-CG1 4.4Å; F204-L215 HydrophobicContact CD2-CD1 4.28Å; F204-L215 HydrophobicContact CG-CD1 4.27Å
205T96.2Very high96.9Very high24 Ų2459.9 Ų59.915%0.14731%0.309CS..  trans-111-33.9174.2590000112.7R137 L146 K151R137-T205 HydrophobicContact CB-CG2 4.41Å; R137-T205 HydrophobicContact CG-CG2 3.62Å; L146-T205 HydrophobicContact CD1-CG2 3.7Å; L146-T205 HydrophobicContact CD2-CG2 3.86Å; L146-T205 HydrophobicContact CG-CG2 4.28Å; K151-T205 WeakPolarHBondContact O-CA 3.37Å; K151-T205 WeakPolarHBondContact O-CB 3.46Å; K151-T205 WeakPolarHBondContact O-CG2 3.15Å
206Q93.5Very high96.9Very high88 Ų8858.4 Ų58.441%0.41131%0.312SS..  trans-152.4147.5176.549171.137.400108.4P134P134-Q206 HydrophobicContact CB-CB 4.48Å; P134-Q206 HydrophobicContact CB-CG 3.81Å; P134-Q206 VanDerWaalsContact CB-O 3.28Å; P134-Q206 WeakPolarHBondContact CB-O 3.21Å
207V96Very high97Very high16 Ų1658 Ų5810%0.09732%0.315CS..  trans-130.7159.4173.7-690000109.8Y102 F204 D211 K212 L215Y102-V207 HydrophobicContact CD2-CG1 4.39Å; Y102-V207 HydrophobicContact CE1-CB 4.08Å; Y102-V207 HydrophobicContact CE1-CG1 4.09Å; Y102-V207 HydrophobicContact CE2-CB 4.35Å; Y102-V207 HydrophobicContact CE2-CG1 3.98Å; F204-V207 HydrophobicContact CD1-CG1 3.86Å; F204-V207 HydrophobicContact CE1-CG1 4.4Å; V207-D211 HydrophobicContact CB-CB 4.38Å; V207-K212 HydrophobicContact CG2-CG 4.03Å; V207-L215 HydrophobicContact CB-CD2 4.47Å; V207-L215 HydrophobicContact CG1-CD2 3.86Å; V207-L215 HydrophobicContact CG2-CB 4.39Å; V207-L215 HydrophobicContact CG2-CD2 3.74Å
208N96.4Very high97Very high66 Ų6649 Ų4935%0.35328%0.276SS..  trans-63.6153173.2-67.9-28.1000110.4Y102 P134 E210 D211 K212Y102-N208 WeakPolarHBondContact OH-CB 3.35Å; Y102-N208 PolarHBondContact OH-N 3.32Å; P134-N208 WeakPolarHBondContact CG-OD1 3.23Å; N208-E210 VanDerWaalsContact C-N 3.26Å; N208-E210 PolarHBondContact O-N 3.4Å; N208-D211 PolarHBondContact O-N 3.28Å; N208-K212 PolarHBondContact O-N 2.97Å
209P95.6Very high97Very high99 Ų9947 Ų4764%0.64326%0.264SS*.G310 helixtrans-51.5-42.5179.9-28.236.3000113.8D211 K212P209-D211 VanDerWaalsContact C-N 3.27Å; P209-D211 PolarHBondContact O-N 2.89Å; P209-K212 WeakPolarHBondContact O-CB 3.44Å; P209-K212 PolarHBondContact O-N 2.9Å; P209-K212 VanDerWaalsContact O-N 3.16Å
210E96.4Very high96.9Very high162 Ų16253 Ų5376%0.75729%0.291SS*.G310 helixtrans-54.7-37.1178.1-62.5153.5-125.600113.7N208N208-E210 VanDerWaalsContact C-N 3.26Å; N208-E210 PolarHBondContact O-N 3.4Å
211D97.3Very high96.9Very high12 Ų1253.4 Ų53.46%0.06430%0.297CS..G310 helixtrans-92.5-6.4-176.2-78.8-46.3000113.3L98 K101 Y102 V207 N208 P209 G213 A214 L215L98-D211 HydrophobicContact CD1-CB 3.78Å; K101-D211 VanDerWaalsContact CD-OD2 3.22Å; K101-D211 WeakPolarHBondContact CD-OD2 3.47Å; K101-D211 IonicContact NZ-OD1 3.58Å; K101-D211 PolarHBondContact NZ-OD1 3Å; K101-D211 IonicContact NZ-OD2 3.96Å; K101-D211 PolarHBondContact NZ-OD2 3Å; Y102-D211 HydrophobicContact CE2-CB 4.23Å; Y102-D211 VanDerWaalsContact CE2-OD2 3.3Å; Y102-D211 WeakPolarHBondContact CE2-OD2 3.13Å; Y102-D211 WeakPolarHBondContact OH-CB 3.47Å; Y102-D211 PolarHBondContact OH-OD2 3.4Å; V207-D211 HydrophobicContact CB-CB 4.38Å; N208-D211 PolarHBondContact O-N 3.28Å; P209-D211 VanDerWaalsContact C-N 3.27Å; P209-D211 PolarHBondContact O-N 2.89Å; D211-G213 VanDerWaalsContact C-N 3.29Å; D211-G213 PolarHBondContact O-N 3.3Å; D211-A214 PolarHBondContact O-N 3.1Å; D211-A214 VanDerWaalsContact O-N 3.09Å; D211-L215 PolarHBondContact O-N 3.33Å
212K96.2Very high96.9Very high131 Ų13153.4 Ų53.457%0.5730%0.297SS*.Hα-helixtrans-55.9-43.2-179-75-177.3177.2-177.10112V207 N208 P209 A214 L215 A216V207-K212 HydrophobicContact CG2-CG 4.03Å; N208-K212 PolarHBondContact O-N 2.97Å; P209-K212 WeakPolarHBondContact O-CB 3.44Å; P209-K212 PolarHBondContact O-N 2.9Å; P209-K212 VanDerWaalsContact O-N 3.16Å; K212-A214 VanDerWaalsContact C-N 3.35Å; K212-A214 PolarHBondContact O-N 3.43Å; K212-L215 PolarHBondContact O-N 3.02Å; K212-A216 WeakPolarHBondContact O-CB 3.37Å; K212-A216 PolarHBondContact O-N 3.02Å
213G97.3Very high96.9Very high45 Ų4558.1 Ų58.146%0.46432%0.318SS..Hα-helixtrans-65.6-35178.300000113.3D211 K217D211-G213 VanDerWaalsContact C-N 3.29Å; D211-G213 PolarHBondContact O-N 3.3Å; G213-K217 WeakPolarHBondContact O-CG 3.29Å; G213-K217 PolarHBondContact O-N 3.32Å
214A96.8Very high96.8Very high47 Ų4761.9 Ų61.939%0.38834%0.341SS..Hα-helixtrans-71.7-40.4175.400000111.8D211 K212 L218D211-A214 PolarHBondContact O-N 3.1Å; D211-A214 VanDerWaalsContact O-N 3.09Å; K212-A214 VanDerWaalsContact C-N 3.35Å; K212-A214 PolarHBondContact O-N 3.43Å; A214-L218 WeakPolarHBondContact O-CG 3.35Å; A214-L218 PolarHBondContact O-N 2.84Å
215L97.5Very high96.7Very high9 Ų965.3 Ų65.35%0.04736%0.359CS..Hα-helixtrans-66.1-41.7174.6-17763.1000111.7L98 Q153 L154 F204 V207 D211 K212 L218 V219L98-L215 HydrophobicContact CD2-CB 3.99Å; L98-L215 HydrophobicContact CD2-CD1 3.97Å; Q153-L215 HydrophobicContact CB-CD2 4.32Å; L154-L215 HydrophobicContact CB-CD1 4.3Å; L154-L215 HydrophobicContact CD2-CD1 3.91Å; F204-L215 HydrophobicContact CD2-CD1 4.28Å; F204-L215 HydrophobicContact CG-CD1 4.27Å; V207-L215 HydrophobicContact CB-CD2 4.47Å; V207-L215 HydrophobicContact CG1-CD2 3.86Å; V207-L215 HydrophobicContact CG2-CB 4.39Å; V207-L215 HydrophobicContact CG2-CD2 3.74Å; D211-L215 PolarHBondContact O-N 3.33Å; K212-L215 PolarHBondContact O-N 3.02Å; L215-L218 PolarHBondContact O-N 3.39Å; L215-V219 HydrophobicContact CD1-CG2 4.12Å; L215-V219 HydrophobicContact CG-CG2 4.16Å; L215-V219 WeakPolarHBondContact O-CB 3.45Å; L215-V219 WeakPolarHBondContact O-CG2 3.49Å; L215-V219 PolarHBondContact O-N 2.9Å
216A97.5Very high96.7Very high54 Ų5464.8 Ų64.845%0.44636%0.355SS..Hα-helixtrans-59-49179.700000111.9K212 L218 V219 E220K212-A216 WeakPolarHBondContact O-CB 3.37Å; K212-A216 PolarHBondContact O-N 3.02Å; A216-L218 VanDerWaalsContact C-N 3.32Å; A216-L218 PolarHBondContact O-N 3.34Å; A216-V219 PolarHBondContact O-N 3.35Å; A216-V219 VanDerWaalsContact O-N 3.15Å; A216-E220 WeakPolarHBondContact O-CB 3.08Å; A216-E220 PolarHBondContact O-N 3.38Å
217K97.3Very high96.8Very high158 Ų15861.3 Ų61.369%0.68734%0.339SS*.Hα-helixtrans-59.5-40176.1-69.7178.7-179.9-172.40112.7G213 A221G213-K217 WeakPolarHBondContact O-CG 3.29Å; G213-K217 PolarHBondContact O-N 3.32Å; K217-A221 WeakPolarHBondContact O-CB 3.49Å; K217-A221 PolarHBondContact O-N 2.93Å
218L97.6Very high96.8Very high7 Ų764.9 Ų64.94%0.03736%0.357CS..Hα-helixtrans-66.4-43.5174.3-77170.3000112T91 Q94 L95 L98 A214 L215 A216 I222T91-L218 HydrophobicContact CG2-CD2 3.74Å; Q94-L218 HydrophobicContact CB-CD2 3.95Å; L95-L218 HydrophobicContact CB-CD1 4.31Å; L95-L218 HydrophobicContact CB-CD2 4.24Å; L98-L218 HydrophobicContact CB-CD1 4.31Å; L98-L218 HydrophobicContact CD2-CD1 3.76Å; A214-L218 WeakPolarHBondContact O-CG 3.35Å; A214-L218 PolarHBondContact O-N 2.84Å; L215-L218 PolarHBondContact O-N 3.39Å; A216-L218 VanDerWaalsContact C-N 3.32Å; A216-L218 PolarHBondContact O-N 3.34Å; L218-I222 WeakPolarHBondContact O-CB 3.27Å; L218-I222 WeakPolarHBondContact O-CD1 3.37Å; L218-I222 WeakPolarHBondContact O-CG1 3.27Å; L218-I222 PolarHBondContact O-N 2.71Å
219V97.9Very high96.8Very high32 Ų3266.6 Ų66.619%0.19436%0.359CS..Hα-helixtrans-62.1-44.7178.9159.20000111.2L154 P180 L215 A216 I222 K223L154-V219 HydrophobicContact CB-CG2 4.01Å; L154-V219 HydrophobicContact CD1-CG2 4.4Å; L154-V219 HydrophobicContact CD2-CG2 4.32Å; L154-V219 HydrophobicContact CG-CG2 4.47Å; P180-V219 HydrophobicContact CB-CG1 4.12Å; P180-V219 HydrophobicContact CG-CG1 3.66Å; L215-V219 HydrophobicContact CD1-CG2 4.12Å; L215-V219 HydrophobicContact CG-CG2 4.16Å; L215-V219 WeakPolarHBondContact O-CB 3.45Å; L215-V219 WeakPolarHBondContact O-CG2 3.49Å; L215-V219 PolarHBondContact O-N 2.9Å; A216-V219 PolarHBondContact O-N 3.35Å; A216-V219 VanDerWaalsContact O-N 3.15Å; V219-I222 PolarHBondContact O-N 3.22Å; V219-K223 VanDerWaalsContact O-CB 3.23Å; V219-K223 WeakPolarHBondContact O-CB 3.3Å; V219-K223 PolarHBondContact O-N 3.5Å
220E97.3Very high96.8Very high131 Ų13163.3 Ų63.361%0.61233%0.334SS*.Hα-helixtrans-59.4-57.2176.8-176.8176.9-164.800111.2A216 I222 K223 T224A216-E220 WeakPolarHBondContact O-CB 3.08Å; A216-E220 PolarHBondContact O-N 3.38Å; E220-I222 PolarHBondContact O-N 3.18Å; E220-K223 PolarHBondContact O-N 3.34Å; E220-K223 VanDerWaalsContact O-N 3.09Å; E220-T224 PolarHBondContact O-N 3.35Å; E220-T224 VanDerWaalsContact O-N 3.16Å; E220-T224 PolarHBondContact O-OG1 3.12Å
221A97Very high96.7Very high38 Ų3858.4 Ų58.431%0.31431%0.311SS..Hα-helixtrans-58.6-34.2178.300000113K217 N225K217-A221 WeakPolarHBondContact O-CB 3.49Å; K217-A221 PolarHBondContact O-N 2.93Å; A221-N225 PolarHBondContact O-ND2 2.74Å
222I97.5Very high96.7Very high0 Ų062.8 Ų62.80%033%0.331CS..Hα-helixtrans-72.4-44.1175.7-75.7167.4000111.3L87 L95 L154 Y181 C182 L218 V219 E220 T224 N225 Y226L87-I222 HydrophobicContact CD1-CG1 4.29Å; L95-I222 HydrophobicContact CD1-CD1 3.75Å; L154-I222 HydrophobicContact CD1-CB 4.48Å; L154-I222 HydrophobicContact CD1-CD1 3.84Å; L154-I222 HydrophobicContact CD1-CG2 3.95Å; L154-I222 HydrophobicContact CD2-CD1 3.95Å; Y181-I222 WeakPolarHBondContact O-CG2 3.21Å; C182-I222 HydrophobicContact CB-CD1 4Å; C182-I222 HydrophobicContact CB-CG1 4.03Å; C182-I222 HydrophobicContact CB-CG2 3.71Å; L218-I222 WeakPolarHBondContact O-CB 3.27Å; L218-I222 WeakPolarHBondContact O-CD1 3.37Å; L218-I222 WeakPolarHBondContact O-CG1 3.27Å; L218-I222 PolarHBondContact O-N 2.71Å; V219-I222 PolarHBondContact O-N 3.22Å; E220-I222 PolarHBondContact O-N 3.18Å; I222-T224 PolarHBondContact O-N 2.81Å; I222-N225 PolarHBondContact O-N 3.04Å; I222-N225 VanDerWaalsContact O-N 3.1Å; I222-Y226 HydrophobicContact CG2-CD2 4.23Å; I222-Y226 WeakPolarHBondContact O-CD2 3.4Å; I222-Y226 PolarHBondContact O-N 2.82Å
223K97.2Very high96.6Very high99 Ų9957.1 Ų57.143%0.4331%0.307SS..Hα-helixtrans-59.2-47.5-177.3-171-167.4169.9-167.20111V219 E220 N225 Y226 N227 D228V219-K223 VanDerWaalsContact O-CB 3.23Å; V219-K223 WeakPolarHBondContact O-CB 3.3Å; V219-K223 PolarHBondContact O-N 3.5Å; E220-K223 PolarHBondContact O-N 3.34Å; E220-K223 VanDerWaalsContact O-N 3.09Å; K223-N225 VanDerWaalsContact C-N 3.27Å; K223-N225 PolarHBondContact O-N 2.67Å; K223-Y226 PolarHBondContact O-N 3.42Å; K223-N227 HydrophobicContact CG-CB 3.84Å; K223-N227 PolarHBondContact O-N 2.94Å; K223-D228 WeakPolarHBondContact CE-OD1 3.43Å; K223-D228 PolarHBondContact O-N 2.77Å
224T96.4Very high96.6Very high80 Ų8062.3 Ų62.349%0.49131%0.313SS..Hα-helixtrans-60.3-35.6176.3-51.20000112.5E220 I222 D228 R229E220-T224 PolarHBondContact O-N 3.35Å; E220-T224 VanDerWaalsContact O-N 3.16Å; E220-T224 PolarHBondContact O-OG1 3.12Å; I222-T224 PolarHBondContact O-N 2.81Å; T224-D228 WeakPolarHBondContact CA-OD2 3.39Å; T224-D228 PolarHBondContact N-OD2 3.09Å; T224-R229 WeakPolarHBondContact O-CD 3.35Å; T224-R229 WeakPolarHBondContact O-CG 3.44Å
225N95.4Very high96.5Very high73 Ų7368.5 Ų68.539%0.3933%0.326SS..Hα-helixtrans-79.9-25.6-178.9-81.8-59.7000114.4A221 I222 K223A221-N225 PolarHBondContact O-ND2 2.74Å; I222-N225 PolarHBondContact O-N 3.04Å; I222-N225 VanDerWaalsContact O-N 3.1Å; K223-N225 VanDerWaalsContact C-N 3.27Å; K223-N225 PolarHBondContact O-N 2.67Å
226Y96.9Very high96.5Very high13 Ų1373.2 Ų73.25%0.05135%0.347CS..Hα-helixtrans-129.2-46.6-167.8-75.1-84.9000115.8Q85 A86 L87 Y181 C182 I183 I222 K223Q85-Y226 PolarHBondContact O-OH 3.18Å; A86-Y226 VanDerWaalsContact C-OH 3.28Å; L87-Y226 WeakPolarHBondContact CA-OH 3.28Å; L87-Y226 HydrophobicContact CD1-CE2 4Å; L87-Y226 PolarHBondContact N-OH 2.92Å; Y181-Y226 HydrophobicContact CD2-CD1 4.39Å; Y181-Y226 AromaticContact CE2-CD1 3.73Å; Y181-Y226 HydrophobicContact CE2-CD1 3.73Å; Y181-Y226 HydrophobicContact CE2-CG 4.26Å; Y181-Y226 WeakPolarHBondContact O-CB 3.35Å; Y181-Y226 PolarHBondContact OH-O 3.19Å; C182-Y226 HydrophobicContact CB-CD2 4.13Å; C182-Y226 HydrophobicContact CB-CE2 3.89Å; I183-Y226 HydrophobicContact CB-CE1 3.93Å; I183-Y226 HydrophobicContact CD1-CE1 4.24Å; I183-Y226 HydrophobicContact CG1-CE1 3.97Å; I183-Y226 PolarHBondContact O-OH 3.36Å; I222-Y226 HydrophobicContact CG2-CD2 4.23Å; I222-Y226 WeakPolarHBondContact O-CD2 3.4Å; I222-Y226 PolarHBondContact O-N 2.82Å; K223-Y226 PolarHBondContact O-N 3.42Å
227N96.1Very high96.5Very high16 Ų1677.8 Ų77.89%0.08635%0.353CS..THydrogen-bonded Turntrans-81.1-46.9-174.8-77.170.3000110.7V179 P180 Y181 K223 Y230V179-N227 PolarHBondContact O-ND2 3.04Å; P180-N227 WeakPolarHBondContact CA-OD1 3.34Å; Y181-N227 VanDerWaalsContact CD1-OD1 3.25Å; Y181-N227 WeakPolarHBondContact CD1-OD1 3.39Å; Y181-N227 PolarHBondContact N-OD1 3.14Å; K223-N227 HydrophobicContact CG-CB 3.84Å; K223-N227 PolarHBondContact O-N 2.94Å; N227-Y230 VanDerWaalsContact O-CB 3.27Å; N227-Y230 WeakPolarHBondContact O-CB 3.39Å; N227-Y230 PolarHBondContact O-N 3.09Å
228D95.8Very high96.4Very high90 Ų9070.6 Ų70.648%0.48132%0.324SS..THydrogen-bonded Turntrans-73.4-35.8-175.7-56.8-29.1000110.5K223 T224 Y230K223-D228 WeakPolarHBondContact CE-OD1 3.43Å; K223-D228 PolarHBondContact O-N 2.77Å; T224-D228 WeakPolarHBondContact CA-OD2 3.39Å; T224-D228 PolarHBondContact N-OD2 3.09Å; D228-Y230 VanDerWaalsContact C-N 3.28Å; D228-Y230 PolarHBondContact O-N 3.49Å
229R95.8Very high96.3Very high103 Ų10371.6 Ų71.639%0.38934%0.336SS..THydrogen-bonded Turntrans-82.38.9175.6-65.2-17767.8-157.7-4.1115T224 E231 E232 I233T224-R229 WeakPolarHBondContact O-CD 3.35Å; T224-R229 WeakPolarHBondContact O-CG 3.44Å; R229-E231 VanDerWaalsContact C-N 3.3Å; R229-E231 PolarHBondContact O-N 3.12Å; R229-E232 IonicContact CZ-OE2 2.64Å; R229-E232 VanDerWaalsContact CZ-OE2 3.22Å; R229-E232 IonicContact NE-OE1 3.24Å; R229-E232 IonicContact NE-OE2 3.63Å; R229-E232 PolarHBondContact NE-OE2 3.22Å; R229-E232 IonicContact NH2-OE2 3.5Å; R229-E232 PolarHBondContact NH2-OE2 3.01Å; R229-E232 WeakPolarHBondContact O-CB 3.42Å; R229-E232 PolarHBondContact O-N 3.14Å; R229-E232 VanDerWaalsContact O-N 3.12Å; R229-I233 HydrophobicContact CB-CD1 4.35Å; R229-I233 WeakPolarHBondContact O-CG1 3.3Å; R229-I233 PolarHBondContact O-N 3.1Å; R229-I233 VanDerWaalsContact O-N 3.14Å
230Y95.3Very high96.2Very high30 Ų3075.1 Ų75.112%0.11835%0.354CS..Hα-helixtrans-59.3-35.4-173-176.5-79000113.7P171 A172 R175 N227 D228 E232 I233 R234P171-Y230 HydrophobicContact CB-CE2 4.46Å; A172-Y230 WeakPolarHBondContact CA-OH 3.34Å; A172-Y230 VanDerWaalsContact CB-OH 3.24Å; A172-Y230 WeakPolarHBondContact CB-OH 3.39Å; R175-Y230 HydrophobicContact CB-CD2 3.89Å; R175-Y230 HydrophobicContact CB-CE2 4.05Å; R175-Y230 HydrophobicContact CB-CG 4.36Å; R175-Y230 HydrophobicContact CG-CD1 4.37Å; R175-Y230 HydrophobicContact CG-CD2 3.92Å; R175-Y230 HydrophobicContact CG-CE2 4.44Å; R175-Y230 HydrophobicContact CG-CG 3.88Å; R175-Y230 VanDerWaalsContact CZ-CD1 3.4Å; N227-Y230 VanDerWaalsContact O-CB 3.27Å; N227-Y230 WeakPolarHBondContact O-CB 3.39Å; N227-Y230 PolarHBondContact O-N 3.09Å; D228-Y230 VanDerWaalsContact C-N 3.28Å; D228-Y230 PolarHBondContact O-N 3.49Å; Y230-E232 PolarHBondContact O-N 2.67Å; Y230-I233 PolarHBondContact O-N 2.7Å; Y230-R234 HydrophobicContact CD1-CB 4.31Å; Y230-R234 HydrophobicContact CE1-CB 4.11Å; Y230-R234 HydrophobicContact CE1-CG 4.4Å; Y230-R234 VanDerWaalsContact O-CB 3.27Å; Y230-R234 WeakPolarHBondContact O-CB 3.34Å; Y230-R234 PolarHBondContact O-N 3.07Å
231E95.2Very high96.2Very high58 Ų5873.9 Ų73.927%0.27135%0.35SS..Hα-helixtrans-66.3-35.7177.9-74.7-57.5133.900112.9R175 R229 R235R175-E231 IonicContact CZ-OE1 3.1Å; R175-E231 VanDerWaalsContact CZ-OE1 3.27Å; R175-E231 IonicContact NH1-OE1 2.7Å; R175-E231 PolarHBondContact NH1-OE1 3.29Å; R175-E231 IonicContact NH2-OE1 2.67Å; R175-E231 PolarHBondContact NH2-OE1 2.77Å; R229-E231 VanDerWaalsContact C-N 3.3Å; R229-E231 PolarHBondContact O-N 3.12Å; E231-R235 WeakPolarHBondContact O-CD 3.33Å; E231-R235 VanDerWaalsContact O-CG 3.3Å; E231-R235 WeakPolarHBondContact O-CG 3.35Å; E231-R235 PolarHBondContact O-N 2.91Å; E231-R235 IonicContact OE2-CZ 3.97Å; E231-R235 IonicContact OE2-NE 2.74Å; E231-R235 IonicContact OE2-NH2 2.82Å; E231-R235 PolarHBondContact OE2-NH2 2.95Å; E231-R235 VanDerWaalsContact OE2-NH2 3.12Å
232E95.9Very high96.1Very high105 Ų10576.3 Ų76.349%0.49136%0.358SS..Hα-helixtrans-63.1-52.3171.9-58.4174.3-171.700109.8R229 Y230 R234 R235 H236R229-E232 IonicContact CZ-OE2 2.64Å; R229-E232 VanDerWaalsContact CZ-OE2 3.22Å; R229-E232 IonicContact NE-OE1 3.24Å; R229-E232 IonicContact NE-OE2 3.63Å; R229-E232 PolarHBondContact NE-OE2 3.22Å; R229-E232 IonicContact NH2-OE2 3.5Å; R229-E232 PolarHBondContact NH2-OE2 3.01Å; R229-E232 WeakPolarHBondContact O-CB 3.42Å; R229-E232 PolarHBondContact O-N 3.14Å; R229-E232 VanDerWaalsContact O-N 3.12Å; Y230-E232 PolarHBondContact O-N 2.67Å; E232-R234 VanDerWaalsContact C-N 3.29Å; E232-R234 PolarHBondContact O-N 3.42Å; E232-R235 PolarHBondContact O-N 3.46Å; E232-H236 WeakPolarHBondContact O-CB 3.34Å; E232-H236 PolarHBondContact O-N 3.06Å
233I95.8Very high96.1Very high11 Ų1176.8 Ų76.86%0.05636%0.362CS..Hα-helixtrans-58.3-41.6-178.3-65.1167.5000110.8P78 Q82 R229 Y230 R235 H236P78-I233 WeakPolarHBondContact CB-O 3.48Å; Q82-I233 HydrophobicContact CB-CG2 3.49Å; Q82-I233 VanDerWaalsContact CB-CG2 3.49Å; R229-I233 HydrophobicContact CB-CD1 4.35Å; R229-I233 WeakPolarHBondContact O-CG1 3.3Å; R229-I233 PolarHBondContact O-N 3.1Å; R229-I233 VanDerWaalsContact O-N 3.14Å; Y230-I233 PolarHBondContact O-N 2.7Å; I233-R235 VanDerWaalsContact C-N 3.27Å; I233-R235 PolarHBondContact O-N 3.12Å; I233-H236 PolarHBondContact O-N 3.06Å
234R95.6Very high96.1Very high155 Ų15577.1 Ų77.159%0.58538%0.375SS*.Hα-helixtrans-63.4-28.8177.8-174.3-173.9-178.2-172.2-0.7113.2P78 Y230 E232P78-R234 WeakPolarHBondContact CB-O 3.35Å; P78-R234 VanDerWaalsContact CG-O 3.3Å; P78-R234 WeakPolarHBondContact CG-O 3.42Å; Y230-R234 HydrophobicContact CD1-CB 4.31Å; Y230-R234 HydrophobicContact CE1-CB 4.11Å; Y230-R234 HydrophobicContact CE1-CG 4.4Å; Y230-R234 VanDerWaalsContact O-CB 3.27Å; Y230-R234 WeakPolarHBondContact O-CB 3.34Å; Y230-R234 PolarHBondContact O-N 3.07Å; E232-R234 VanDerWaalsContact C-N 3.29Å; E232-R234 PolarHBondContact O-N 3.42Å
235R96.1Very high96.1Very high176 Ų17681.4 Ų81.466%0.66439%0.387SS*.Hα-helixtrans-96-19.4-178.6-63.9171.5-162.3-165.13.6112.5E231 E232 I233 W237E231-R235 WeakPolarHBondContact O-CD 3.33Å; E231-R235 VanDerWaalsContact O-CG 3.3Å; E231-R235 WeakPolarHBondContact O-CG 3.35Å; E231-R235 PolarHBondContact O-N 2.91Å; E231-R235 IonicContact OE2-CZ 3.97Å; E231-R235 IonicContact OE2-NE 2.74Å; E231-R235 IonicContact OE2-NH2 2.82Å; E231-R235 PolarHBondContact OE2-NH2 2.95Å; E231-R235 VanDerWaalsContact OE2-NH2 3.12Å; E232-R235 PolarHBondContact O-N 3.46Å; I233-R235 VanDerWaalsContact C-N 3.27Å; I233-R235 PolarHBondContact O-N 3.12Å; R235-W237 PolarHBondContact O-N 3.21Å
236H96.3Very high96.2Very high108 Ų10880.5 Ų80.550%0.539%0.386SS..  trans-82.197-172.5-168.373.1000113.2N81 E232 I233N81-H236 PolarHBondContact ND2-CD2 3.4Å; N81-H236 PolarHBondContact ND2-O 3.41Å; E232-H236 WeakPolarHBondContact O-CB 3.34Å; E232-H236 PolarHBondContact O-N 3.06Å; I233-H236 PolarHBondContact O-N 3.06Å
237W97.4Very high96.2Very high150 Ų15082.7 Ų82.757%0.56840%0.401SS*.  trans-65.7145.3172.4-74.677.7000112.1K75 P77 P78 R235K75-W237 HydrophobicContact CB-CE3 4.12Å; K75-W237 HydrophobicContact CB-CZ3 4.38Å; P77-W237 HydrophobicContact CB-CZ3 4.31Å; P77-W237 HydrophobicContact CG-CZ3 4.12Å; P78-W237 HydrophobicContact CG-CD2 4.25Å; P78-W237 HydrophobicContact CG-CG 4.03Å; R235-W237 PolarHBondContact O-N 3.21Å
238G96.5Very high96.3Very high8 Ų884.8 Ų84.88%0.08242%0.421CS..EExtended strand (participates in β ladder)trans-105.9177.7179.700000114.3K75 V76 N81K75-G238 WeakPolarHBondContact CA-O 3.22Å; V76-G238 PolarHBondContact N-O 3.03Å; V76-G238 PolarHBondContact O-N 2.86Å; N81-G238 VanDerWaalsContact ND2-CA 3.35Å; N81-G238 WeakPolarHBondContact ND2-CA 3.22Å; N81-G238 PolarHBondContact ND2-N 2.88Å; N81-G238 VanDerWaalsContact OD1-CA 3.29Å; N81-G238 WeakPolarHBondContact OD1-CA 3.03Å
239G95.6Very high96.4Very high28 Ų2889.8 Ų89.829%0.28943%0.433SS..EExtended strand (participates in β ladder)trans69-138.9174.600000112.7K72 L74 I241K72-G239 CarbonylContact O-C 3.54Å; L74-G239 WeakPolarHBondContact O-CA 3.38Å; G239-I241 WeakPolarHBondContact O-CG1 3.08Å; G239-I241 PolarHBondContact O-N 3.38Å; G239-I241 VanDerWaalsContact O-N 3.09Å
240N96.1Very high96.5Very high106 Ų10689.4 Ų89.457%0.56743%0.434SS*.  trans54.222.2-172.6-160.249.7000114.7K72 R73 L74 K75K72-N240 PolarHBondContact O-N 2.96Å; R73-N240 WeakPolarHBondContact O-CA 3.43Å; L74-N240 PolarHBondContact O-N 2.83Å; K75-N240 HydrophobicContact CG-CB 3.98Å
241I95.8Very high96.6Very high104 Ų10492 Ų9253%0.53345%0.453SS..PPolyproline II helixtrans-83.3128.5-178.8-52.4178.6000108.1K72 R73 G239K72-I241 PolarHBondContact O-N 3.18Å; R73-I241 WeakPolarHBondContact CD-O 3.46Å; R73-I241 PolarHBondContact NH1-O 2.89Å; G239-I241 WeakPolarHBondContact O-CG1 3.08Å; G239-I241 PolarHBondContact O-N 3.38Å; G239-I241 VanDerWaalsContact O-N 3.09Å
242L96.1Very high96.7Very high89 Ų8997.3 Ų97.347%0.46648%0.475SS..PPolyproline II helixtrans-71.9170176.9-74174.5000113.3R73 T247 F250R73-L242 PolarHBondContact NH1-O 3.05Å; L242-T247 HydrophobicContact CB-CG2 3.61Å; L242-F250 HydrophobicContact CD1-CD2 3.94Å; L242-F250 HydrophobicContact CD1-CE2 3.81Å
243G96.7Very high96.8Very high10 Ų1097 Ų9710%0.10348%0.476CS..PPolyproline II helixtrans-84.4148.6174.900000112.6R73 K245 S246 T247R73-G243 VanDerWaalsContact NH2-CA 3.25Å; G243-K245 VanDerWaalsContact C-N 3.25Å; G243-K245 PolarHBondContact O-N 3.46Å; G243-K245 VanDerWaalsContact O-N 3.12Å; G243-S246 WeakPolarHBondContact O-CA 3.42Å; G243-S246 WeakPolarHBondContact O-CB 3.41Å; G243-S246 PolarHBondContact O-N 3.07Å; G243-T247 PolarHBondContact O-N 3.11Å; G243-T247 PolarHBondContact O-OG1 2.94Å
244P96.8Very high96.9Very high106 Ų106102 Ų10269%0.68850%0.499SS*.Hα-helixtrans-55.3-33.5-176.7-28.935.5000115.3T247 A248P244-T247 WeakPolarHBondContact CA-OG1 3.46Å; P244-T247 PolarHBondContact O-OG1 3.01Å; P244-T247 VanDerWaalsContact O-OG1 3.07Å; P244-A248 WeakPolarHBondContact O-CB 3.37Å; P244-A248 PolarHBondContact O-N 3.16Å
245K97.6Very high97Very high171 Ų171102.6 Ų102.674%0.74351%0.506SS*.Hα-helixtrans-68.8-39173.7-70.7-170.4174.5-170.60112.2G243 R249G243-K245 VanDerWaalsContact C-N 3.25Å; G243-K245 PolarHBondContact O-N 3.46Å; G243-K245 VanDerWaalsContact O-N 3.12Å; K245-R249 PolarHBondContact O-N 2.84Å; K245-R249 VanDerWaalsContact O-N 3.1Å
246S96.8Very high97Very high54 Ų5497 Ų9738%0.37850%0.497SS..Hα-helixtrans-70.6-46.3179.4-50.50000110.7G243 R249 F250G243-S246 WeakPolarHBondContact O-CA 3.42Å; G243-S246 WeakPolarHBondContact O-CB 3.41Å; G243-S246 PolarHBondContact O-N 3.07Å; S246-R249 WeakPolarHBondContact O-CB 3.02Å; S246-R249 PolarHBondContact O-N 3.26Å; S246-F250 WeakPolarHBondContact O-CD2 3.33Å; S246-F250 PolarHBondContact O-N 3.06Å
247T97.1Very high97.1Very high59 Ų5997.9 Ų97.936%0.36250%0.5SS..Hα-helixtrans-60.4-47.1175.255.60000110.8L242 G243 P244 R249 F250 T251L242-T247 HydrophobicContact CB-CG2 3.61Å; G243-T247 PolarHBondContact O-N 3.11Å; G243-T247 PolarHBondContact O-OG1 2.94Å; P244-T247 WeakPolarHBondContact CA-OG1 3.46Å; P244-T247 PolarHBondContact O-OG1 3.01Å; P244-T247 VanDerWaalsContact O-OG1 3.07Å; T247-R249 VanDerWaalsContact C-N 3.27Å; T247-R249 PolarHBondContact O-N 2.97Å; T247-F250 PolarHBondContact O-N 3.19Å; T247-T251 PolarHBondContact O-N 2.97Å; T247-T251 PolarHBondContact O-OG1 3.05Å; T247-T251 VanDerWaalsContact O-OG1 3.06Å
248A97.9Very high97.1Very high60 Ų6093.7 Ų93.750%0.49650%0.497SS..Hα-helixtrans-59-34.9176.400000113.5P244 K252P244-A248 WeakPolarHBondContact O-CB 3.37Å; P244-A248 PolarHBondContact O-N 3.16Å; A248-K252 WeakPolarHBondContact O-CB 3.39Å; A248-K252 PolarHBondContact O-N 3.17Å
249R98.1Very high97.1Very high195 Ų195100.7 Ų100.774%0.73653%0.525SS*.Hα-helixtrans-64.2-47.4172.4-179.8-174.5173-162.2-2111.4K245 S246 T247 K252 L253K245-R249 PolarHBondContact O-N 2.84Å; K245-R249 VanDerWaalsContact O-N 3.1Å; S246-R249 WeakPolarHBondContact O-CB 3.02Å; S246-R249 PolarHBondContact O-N 3.26Å; T247-R249 VanDerWaalsContact C-N 3.27Å; T247-R249 PolarHBondContact O-N 2.97Å; R249-K252 PolarHBondContact O-N 3.48Å; R249-L253 PolarHBondContact O-N 2.97Å; R249-L253 VanDerWaalsContact O-N 3.16Å
250F97.1Very high97.2Very high95 Ų95106.1 Ų106.142%0.41754%0.543SS..Hα-helixtrans-63.4-49.7177.9-70.8-62.2000111.4L242 S246 T247 K252 L253 E254L242-F250 HydrophobicContact CD1-CD2 3.94Å; L242-F250 HydrophobicContact CD1-CE2 3.81Å; S246-F250 WeakPolarHBondContact O-CD2 3.33Å; S246-F250 PolarHBondContact O-N 3.06Å; T247-F250 PolarHBondContact O-N 3.19Å; F250-K252 VanDerWaalsContact C-N 3.29Å; F250-K252 PolarHBondContact O-N 2.83Å; F250-L253 CarbonylContact O-C 3.59Å; F250-L253 WeakPolarHBondContact O-CA 3.28Å; F250-L253 WeakPolarHBondContact O-CB 3.47Å; F250-L253 PolarHBondContact O-N 2.88Å; F250-E254 WeakPolarHBondContact O-CG 3.48Å; F250-E254 PolarHBondContact O-N 3.38Å
251T97.4Very high97.2Very high83 Ų83106.2 Ų106.251%0.50954%0.543SS..Hα-helixtrans-59.8-35.8177.9-52.10000112.8T247 E254 K255T247-T251 PolarHBondContact O-N 2.97Å; T247-T251 PolarHBondContact O-OG1 3.05Å; T247-T251 VanDerWaalsContact O-OG1 3.06Å; T251-E254 WeakPolarHBondContact CA-OE2 3.37Å; T251-K255 VanDerWaalsContact O-CB 3.28Å; T251-K255 WeakPolarHBondContact O-CB 3.45Å; T251-K255 PolarHBondContact O-N 3.32Å
252K98.1Very high97.2Very high171 Ų171104.3 Ų104.374%0.74354%0.543SS*.Hα-helixtrans-64.4-40.6173.2-174.5179.2178.6-176.40111.8A248 R249 F250 A256A248-K252 WeakPolarHBondContact O-CB 3.39Å; A248-K252 PolarHBondContact O-N 3.17Å; R249-K252 PolarHBondContact O-N 3.48Å; F250-K252 VanDerWaalsContact C-N 3.29Å; F250-K252 PolarHBondContact O-N 2.83Å; K252-A256 PolarHBondContact O-N 3.26Å
253L97.8Very high97.1Very high97 Ų97104.9 Ų104.951%0.50855%0.55SS.*Hα-helixtrans-69.3-46177.7-173.174.5000111.6R249 F250 K255 A256 K257R249-L253 PolarHBondContact O-N 2.97Å; R249-L253 VanDerWaalsContact O-N 3.16Å; F250-L253 CarbonylContact O-C 3.59Å; F250-L253 WeakPolarHBondContact O-CA 3.28Å; F250-L253 WeakPolarHBondContact O-CB 3.47Å; F250-L253 PolarHBondContact O-N 2.88Å; L253-K255 VanDerWaalsContact C-N 3.35Å; L253-K255 PolarHBondContact O-N 2.98Å; L253-A256 WeakPolarHBondContact O-CB 3.4Å; L253-A256 PolarHBondContact O-N 3.19Å; L253-A256 VanDerWaalsContact O-N 3.17Å; L253-K257 PolarHBondContact O-N 3.43Å
254E97.4Very high96.8Very high118 Ų118113 Ų11355%0.55158%0.583SS**Hα-helixtrans-58.8-45.3176.5-71.4165.7164.800111.2F250 T251 A256 K257 A258F250-E254 WeakPolarHBondContact O-CG 3.48Å; F250-E254 PolarHBondContact O-N 3.38Å; T251-E254 WeakPolarHBondContact CA-OE2 3.37Å; E254-A256 VanDerWaalsContact C-N 3.3Å; E254-A256 PolarHBondContact O-N 3Å; E254-K257 PolarHBondContact O-N 3.15Å; E254-A258 WeakPolarHBondContact O-CB 3.33Å; E254-A258 PolarHBondContact O-N 2.85Å
255K97.7Very high96.3Very high166 Ų166114.7 Ų114.772%0.72259%0.585SS**Hα-helixtrans-62.4-35.4175.9-174.9170.8-178.4173.70112.8T251 L253 K259T251-K255 VanDerWaalsContact O-CB 3.28Å; T251-K255 WeakPolarHBondContact O-CB 3.45Å; T251-K255 PolarHBondContact O-N 3.32Å; L253-K255 VanDerWaalsContact C-N 3.35Å; L253-K255 PolarHBondContact O-N 2.98Å; K255-K259 PolarHBondContact O-N 2.91Å; K255-K259 VanDerWaalsContact O-N 3.15Å
256A97.5Very high94.9Very high58 Ų58112 Ų11248%0.47961%0.606SS.*Hα-helixtrans-67.8-48.8175.400000111.3K252 L253 E254 A258 K259 E260K252-A256 PolarHBondContact O-N 3.26Å; L253-A256 WeakPolarHBondContact O-CB 3.4Å; L253-A256 PolarHBondContact O-N 3.19Å; L253-A256 VanDerWaalsContact O-N 3.17Å; E254-A256 VanDerWaalsContact C-N 3.3Å; E254-A256 PolarHBondContact O-N 3Å; A256-A258 VanDerWaalsContact C-N 3.35Å; A256-A258 PolarHBondContact O-N 3Å; A256-K259 PolarHBondContact O-N 3.34Å; A256-E260 PolarHBondContact O-N 3Å
257K97.6Very high94.8Very high128 Ų128114.9 Ų114.956%0.55762%0.617SS**Hα-helixtrans-59.5-41.7175.7-71.2-175.6172.9-166.60112.8L253 E254 K259 E260 L261L253-K257 PolarHBondContact O-N 3.43Å; E254-K257 PolarHBondContact O-N 3.15Å; K257-K259 VanDerWaalsContact C-N 3.33Å; K257-K259 PolarHBondContact O-N 3.48Å; K257-E260 PolarHBondContact O-N 3.3Å; K257-L261 WeakPolarHBondContact O-CB 3.35Å; K257-L261 PolarHBondContact O-N 3.36Å
258A96.9Very high94.7Very high61 Ų61117.8 Ų117.850%0.50463%0.631SS.*Hα-helixtrans-64.4-37.6177.700000111.9E254 A256 A262E254-A258 WeakPolarHBondContact O-CB 3.33Å; E254-A258 PolarHBondContact O-N 2.85Å; A256-A258 VanDerWaalsContact C-N 3.35Å; A256-A258 PolarHBondContact O-N 3Å; A258-A262 WeakPolarHBondContact O-CB 3.34Å; A258-A262 PolarHBondContact O-N 3.3Å
259K97.1Very high94.5Very high155 Ų155121.1 Ų121.167%0.67464%0.638SS**Hα-helixtrans-65.2-47.8173.2-174.6-177.1176.2-173.10111.3K255 A256 K257 L261 A262 T263K255-K259 PolarHBondContact O-N 2.91Å; K255-K259 VanDerWaalsContact O-N 3.15Å; A256-K259 PolarHBondContact O-N 3.34Å; K257-K259 VanDerWaalsContact C-N 3.33Å; K257-K259 PolarHBondContact O-N 3.48Å; K259-L261 PolarHBondContact O-N 3.17Å; K259-A262 PolarHBondContact O-N 3.48Å; K259-T263 PolarHBondContact O-N 3.02Å; K259-T263 PolarHBondContact O-OG1 3.04Å
260E96.8Very high94.3Very high142 Ų142116.7 Ų116.766%0.66463%0.633SS**Hα-helixtrans-58.4-46.4178.3-173.6-172.3159.700111.8A256 K257 T263 K264A256-E260 PolarHBondContact O-N 3Å; K257-E260 PolarHBondContact O-N 3.3Å; E260-T263 PolarHBondContact O-N 2.9Å; E260-K264 WeakPolarHBondContact O-CB 3.49Å; E260-K264 PolarHBondContact O-N 2.98Å
261L96.8Very high94.2Very high109 Ų109118.1 Ų118.157%0.57165%0.646SS**Hα-helixtrans-65.6-39177.8-176.3129.9000112.4K257 K259 K264 L265K257-L261 WeakPolarHBondContact O-CB 3.35Å; K257-L261 PolarHBondContact O-N 3.36Å; K259-L261 PolarHBondContact O-N 3.17Å; L261-K264 PolarHBondContact O-N 3.42Å; L261-K264 VanDerWaalsContact O-N 3.16Å; L261-L265 HydrophobicContact CD2-CD1 3.57Å; L261-L265 HydrophobicContact CG-CD1 3.95Å; L261-L265 WeakPolarHBondContact O-CG 3.44Å; L261-L265 PolarHBondContact O-N 3.38Å; L261-L265 VanDerWaalsContact O-N 3.17Å
262A95.4Very high94Very high64 Ų64120.4 Ų120.453%0.52966%0.655SS.*Hα-helixtrans-63.5-40.9174.200000112.1A258 K259 K264 L265 G266A258-A262 WeakPolarHBondContact O-CB 3.34Å; A258-A262 PolarHBondContact O-N 3.3Å; K259-A262 PolarHBondContact O-N 3.48Å; A262-K264 PolarHBondContact O-N 3.17Å; A262-L265 PolarHBondContact O-N 3.4Å; A262-G266 PolarHBondContact O-N 3.16Å
263T95Very high93.7Very high101 Ų101116.8 Ų116.862%0.6265%0.649SS**Hα-helixtrans-72.6-10.5174.4-570000113.6K259 E260K259-T263 PolarHBondContact O-N 3.02Å; K259-T263 PolarHBondContact O-OG1 3.04Å; E260-T263 PolarHBondContact O-N 2.9Å
264K91.1Very high93.3Very high180 Ų180118.3 Ų118.378%0.78366%0.66SS**Hα-helixtrans-95.7-18.8175.3-170.1174.9-179.5179.90113.2E260 L261 A262E260-K264 WeakPolarHBondContact O-CB 3.49Å; E260-K264 PolarHBondContact O-N 2.98Å; L261-K264 PolarHBondContact O-N 3.42Å; L261-K264 VanDerWaalsContact O-N 3.16Å; A262-K264 PolarHBondContact O-N 3.17Å
265L86.4Confident93Very high141 Ų141118.3 Ų118.374%0.73867%0.669SS**Hα-helixtrans-102.2-13.4-176.2-74.5169.8000114L261 A262L261-L265 HydrophobicContact CD2-CD1 3.57Å; L261-L265 HydrophobicContact CG-CD1 3.95Å; L261-L265 WeakPolarHBondContact O-CG 3.44Å; L261-L265 PolarHBondContact O-N 3.38Å; L261-L265 VanDerWaalsContact O-N 3.17Å; A262-L265 PolarHBondContact O-N 3.4Å
266G67.9Low92.6Very high115 Ų115114 Ų114100%1.18666%0.664SS**  trans-121.70172.100000110.6A262A262-G266 PolarHBondContact O-N 3.16Å

Retrieved 266 of 266 residues in 341.1 ms (Link to these results)