A0A060WDY0_ONCMY Loading...

Integrin beta-1-binding protein 1

AlphaFold DB , UniProt , Accession A0A060WDY0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene itgb1bp1, Length 199 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
1M46.8Very low45.9Very low247 Ų247184.5 Ų184.5100%1.21788%0.875SS**  0154.70-78.8174.716300109.4
2F45.9Very low45.4Very low202 Ų202177.7 Ų177.789%0.88686%0.862SS**  trans-111.8148.8-178.7-66.1-90000112.4
3R55.1Low45Very low255 Ų255171.9 Ų171.996%0.96285%0.851SS**  trans-163.2152.9133.7-105.2161-169.5-1712.8110.5
4K51.1Low44.8Very low191 Ų191167 Ų16783%0.8384%0.842SS**  trans-159.3118-161.3171.2-174.9176.4175.90112.8
5V43.3Very low44.5Very low141 Ų141167.5 Ų167.586%0.85584%0.84SS**  trans-149136.8165.5-177.10000107.6
6K43.7Very low43.9Very low175 Ų175163.3 Ų163.376%0.76183%0.832SS**  cis109.692.10.4-164-173.5176.7-174.90116.2
7K43.2Very low43.8Very low173 Ų173159.8 Ų159.875%0.75283%0.825SS**  trans73.9159.4164.6-83.5-166.7173.9-168.80115.9
8R43.1Very low43.5Very low238 Ų238160 Ų16090%0.89882%0.822SS**  cis-130.7164.927.2-64.3174.1175.9176.8-2.4115.2
9H53.1Low43.2Very low162 Ų162159.4 Ų159.475%0.7582%0.819SS**  trans-94158.5160.8-48-104.9000109.4
10S40.2Very low43.1Very low125 Ų125156.5 Ų156.587%0.87481%0.813SS**  trans-140.2144.9162.7-65.10000109.1
11S39.1Very low42.9Very low120 Ų120156.1 Ų156.184%0.83982%0.818SS**  trans-151.7123.1-175.254.60000112.4
12S40.7Very low42.8Very low103 Ų103153 Ų15372%0.7280%0.797SS**  trans-165.6138.6159.4-166.70000106.7
13S40.3Very low42.7Very low103 Ų103149.3 Ų149.372%0.7280%0.797SS**  cis81.5146.526.485.90000115.7
14S42.1Very low41.9Very low103 Ų103145.9 Ų145.972%0.7279%0.789SS**  trans80.6144.8-174.9-56.90000116.7
15Q39.8Very low41.3Very low174 Ų174142.3 Ų142.381%0.81379%0.788SS**  cis-168.9169.5-29.2-126.3166.4-15.400110
16S35.2Very low41.4Very low101 Ų101142.7 Ų142.771%0.70679%0.79SS**  trans-18161.1160.946.10000120.3
17S42.3Very low41Very low104 Ų104141.7 Ų141.773%0.72779%0.794SS**  cis-156.6-169.618.921.30000110.5
18E37.5Very low41Very low163 Ų163138 Ų13876%0.76279%0.789SS**  cis-169.3159.148.3-71-171.7101.700115.5
19I38.8Very low40.9Very low148 Ų148132.6 Ų132.676%0.75979%0.788SS**  trans45.6107.1140.8-139.8159.7000119.6
20S40.9Very low40.8Very low102 Ų102133.7 Ų133.771%0.71380%0.799SS**  76.5118.169.7-169.50000117.4
21T39.8Very low40.8Very low149 Ų149131.6 Ų131.691%0.91480%0.796SS**  trans-155.2139.1139.6-0.60000113.7
22K42.8Very low41Very low180 Ų180129.1 Ų129.178%0.78379%0.79SS**PPolyproline II helixtrans-80.3119.9-170.6172-176.2-173.9170.80113.5
23S44.2Very low41Very low125 Ų125133 Ų13387%0.87480%0.802SS**PPolyproline II helixtrans-89.6143.3162.8-66.50000111.1
24K39.7Very low41.2Very low183 Ų183133.5 Ų133.580%0.79681%0.805SS**PPolyproline II helixtrans-101.4157-174.9-73.3-178178.71780112.9
25S37.9Very low41.5Very low117 Ų117140.4 Ų140.482%0.81882%0.816SS**PPolyproline II helixtrans-61.6148.9164.549.80000112.7
26V44.8Very low41.9Very low148 Ų148137.7 Ų137.790%0.89782%0.816SS**PPolyproline II helixtrans-93144.7161.2-76.30000110.1
27D34.9Very low42.6Very low155 Ų155138.8 Ų138.883%0.82982%0.823SS**  trans-137.5161.7167.3-169.212.4000109
28S43.3Very low43Very low94 Ų94140 Ų14066%0.65783%0.826SS**  trans-74.8168.3-168.660.10000115.3
29S42.3Very low43.6Very low126 Ų126139 Ų13988%0.88183%0.831SS**  trans-152.2150.6161.1-79.80000110.4
30L50.3Low43.6Very low185 Ų185136.1 Ų136.197%0.96983%0.83SS**  trans-101.7148.2-165.8-72.3157.8000113
31G40.8Very low43.9Very low80 Ų80136.3 Ų136.383%0.82583%0.831SS**  trans142.7138.6166.400000112.6
32G43.1Very low44.4Very low69 Ų69137.1 Ų137.171%0.71183%0.829SS**  cis166.3160-7.100000112.5
33L39.2Very low44.6Very low184 Ų184135.6 Ų135.696%0.96383%0.829SS**  trans71.6136.3174.4-50.5179.3000116.9
34S44.7Very low45.2Very low113 Ų113135.7 Ų135.779%0.7982%0.824SS**  trans-110.2164.6-176.441.80000112
35R49.7Very low45.3Very low249 Ų249133.2 Ų133.294%0.9482%0.82SS**  -173.3141.1129.5-104.1163.5179.1-151.9-4.2112.9
36S47.2Very low45.8Very low116 Ų116133 Ų13381%0.81182%0.818SS**  trans-83.5157174.3-42.70000112
37S49.5Very low45.9Very low124 Ų124131.5 Ų131.587%0.86781%0.81SS**  trans-133.7151.6146.957.60000109.1
38T52.5Low46.2Very low129 Ų129133.3 Ų133.379%0.79181%0.81SS**  trans-125137.2-166.5-45.20000109.8
39V48.7Very low46.3Very low143 Ų143133.7 Ų133.787%0.86781%0.813SS**  trans-165.6144.5142.5-103.50000113.7
40A39.6Very low46.3Very low88 Ų88133.9 Ų133.973%0.72782%0.815SS**  trans56.292.7144.200000120.8
41S47Very low45.6Very low105 Ų105127.9 Ų127.973%0.73480%0.797SS**  25.7134.9119.4-50.20000121.5
42L50.1Low45.8Very low167 Ų167131 Ų13187%0.87480%0.795SS**  -151.9124.8119.9-112168.9000109.9
43D46.6Very low45.6Very low147 Ų147133.2 Ų133.279%0.78680%0.799SS**  trans-82.3126.5179.6-59.2-92.4000111.3
44T57.2Low45.7Very low127 Ų127128.3 Ų128.378%0.77979%0.785SS**  trans-128.5100.7161.553.70000109.1S46T44-S46 PolarHBondContact O-N 3.13Å
45D42Very low45.6Very low131 Ų131126.7 Ų126.770%0.70178%0.779SS**  trans-61132.9168.517823.1000109.8T47D45-T47 WeakPolarHBondContact OD1-CB 3.27Å; D45-T47 PolarHBondContact OD1-N 2.59Å; D45-T47 PolarHBondContact OD1-OG1 2.82Å
46S47.4Very low45.4Very low112 Ų112120 Ų12078%0.78377%0.77SS**  trans-148.938.6168.3-73.50000110.2T44 K48T44-S46 PolarHBondContact O-N 3.13Å; S46-K48 VanDerWaalsContact C-N 3.28Å; S46-K48 PolarHBondContact O-N 2.76Å
47T47Very low45.8Very low117 Ų117120.4 Ų120.472%0.71876%0.759SS**  trans-77.772.8173.953.70000111.9D45D45-T47 WeakPolarHBondContact OD1-CB 3.27Å; D45-T47 PolarHBondContact OD1-N 2.59Å; D45-T47 PolarHBondContact OD1-OG1 2.82Å
48K42.7Very low46.6Very low193 Ų193117.9 Ų117.984%0.83974%0.739SS**SBendtrans-152.4122.2160.2-112.3138.9-168.4167.40114.4S46S46-K48 VanDerWaalsContact C-N 3.28Å; S46-K48 PolarHBondContact O-N 2.76Å
49S45.8Very low48.3Very low102 Ų102115.5 Ų115.571%0.71373%0.726SS**  trans42.5104.3159.855.20000116.8G51S49-G51 PolarHBondContact O-N 3.21Å
50S41.3Very low50.5Low131 Ų131110 Ų11092%0.91670%0.696SS**  trans-5977.9142.953.20000109.1N52S50-N52 PolarHBondContact O-N 3.13Å; S50-N52 VanDerWaalsContact O-N 3.13Å
51G36.3Very low53.3Low58 Ų58110.1 Ų110.160%0.59868%0.681SS**  trans-71.5104.8-173.400000111S49 S53S49-G51 PolarHBondContact O-N 3.21Å; G51-S53 PolarHBondContact O-N 3.4Å
52N45.3Very low55.7Low147 Ų147106.6 Ų106.679%0.78665%0.653SS**  trans20.585.7154.6-157.870.3000115.1S50 A54S50-N52 PolarHBondContact O-N 3.13Å; S50-N52 VanDerWaalsContact O-N 3.13Å; N52-A54 PolarHBondContact O-N 2.76Å
53S37.8Very low58Low115 Ų115105.7 Ų105.780%0.80464%0.638SS**  trans-68.179.1174.457.80000110.3G51 A55G51-S53 PolarHBondContact O-N 3.4Å; S53-A55 PolarHBondContact O-N 3.22Å; S53-A55 VanDerWaalsContact O-N 3.09Å
54A41.5Very low60.4Low81 Ų8198.8 Ų98.867%0.66960%0.601SS**  trans-58.6113179.600000109.4N52N52-A54 PolarHBondContact O-N 2.76Å
55A43.4Very low62.3Low79 Ų7994.2 Ų94.265%0.65357%0.571SS**  trans30.585.5175.900000114.8S53 E57S53-A55 PolarHBondContact O-N 3.22Å; S53-A55 VanDerWaalsContact O-N 3.09Å; A55-E57 PolarHBondContact O-N 2.98Å
56S45.4Very low65Low108 Ų10891.1 Ų91.176%0.75555%0.549SS*.  trans-48109.2164.8175.90000108.8T58S56-T58 PolarHBondContact O-N 3.46Å
57E53.8Low67.4Low124 Ų12486.2 Ų86.258%0.57952%0.515SS*.  trans-63.3115.6-166.3-58.3-153.8116.700110A55 C59 K115A55-E57 PolarHBondContact O-N 2.98Å; E57-C59 PolarHBondContact O-N 2.71Å; E57-K115 WeakPolarHBondContact OE1-CE 3.25Å; E57-K115 IonicContact OE1-NZ 2.62Å; E57-K115 PolarHBondContact OE1-NZ 2.86Å
58T67.9Low69.8Low71 Ų7181.1 Ų81.144%0.43649%0.486SS..  trans-77.859.1-175.3520000111.3S56S56-T58 PolarHBondContact O-N 3.46Å
59C87.1Confident72.4Confident79 Ų7973.3 Ų73.353%0.53446%0.457SS..  trans-86.3124.5168.1-165.50000108.9E57 V113E57-C59 PolarHBondContact O-N 2.71Å; C59-V113 WeakPolarHBondContact CA-O 3.28Å
60A95.9Very high74.7Confident28 Ų2869.4 Ų69.423%0.23143%0.428CS..EExtended strand (participates in β ladder)trans-131.9132.1174.300000110F62 G112 V113 V185A60-F62 HydrophobicContact CB-CE2 3.61Å; A60-F62 HydrophobicContact CB-CZ 3.85Å; A60-G112 CarbonylContact O-C 3.58Å; A60-G112 WeakPolarHBondContact O-CA 3.41Å; A60-V113 PolarHBondContact N-O 2.84Å; A60-V113 PolarHBondContact O-N 3.3Å; A60-V185 HydrophobicContact CB-CG1 4.14Å; A60-V185 HydrophobicContact CB-CG2 4.09Å
61E97.1Very high77.2Confident90 Ų9067.9 Ų67.942%0.42141%0.406SS..EExtended strand (participates in β ladder)trans-110.9135-179-59.1-158.1137.700111.3V110 K119 Q125E61-V110 HydrophobicContact CB-CG1 3.92Å; E61-V110 HydrophobicContact CG-CG1 4.24Å; E61-K119 WeakPolarHBondContact OE1-CE 3.42Å; E61-K119 IonicContact OE1-NZ 2.59Å; E61-K119 PolarHBondContact OE1-NZ 3.03Å; E61-Q125 PolarHBondContact OE2-NE2 2.9Å
62F97.7Very high79.7Confident31 Ų3172 Ų7214%0.13641%0.408CS..EExtended strand (participates in β ladder)trans-130.6141.6-173.5-56.6-93.5000110A60 L111 V113 Q178 A181 I182 V185A60-F62 HydrophobicContact CB-CE2 3.61Å; A60-F62 HydrophobicContact CB-CZ 3.85Å; F62-L111 PolarHBondContact N-O 2.91Å; F62-L111 PolarHBondContact O-N 2.83Å; F62-V113 HydrophobicContact CD2-CG2 4.4Å; F62-V113 HydrophobicContact CE2-CG2 4.19Å; F62-Q178 HydrophobicContact CD1-CG 3.99Å; F62-A181 HydrophobicContact CE1-CB 3.93Å; F62-A181 HydrophobicContact CZ-CB 4.36Å; F62-I182 HydrophobicContact CB-CD1 3.91Å; F62-I182 HydrophobicContact CB-CG1 4.01Å; F62-I182 HydrophobicContact CD1-CD1 4.14Å; F62-I182 HydrophobicContact CD1-CG1 3.59Å; F62-I182 HydrophobicContact CD2-CD1 4.36Å; F62-I182 HydrophobicContact CD2-CG1 3.53Å; F62-I182 HydrophobicContact CE1-CG1 3.81Å; F62-I182 HydrophobicContact CE2-CB 4.49Å; F62-I182 HydrophobicContact CE2-CG1 3.74Å; F62-I182 HydrophobicContact CG-CD1 3.91Å; F62-I182 HydrophobicContact CG-CG1 3.43Å; F62-I182 VanDerWaalsContact CG-CG1 3.43Å; F62-I182 HydrophobicContact CZ-CG1 3.87Å; F62-V185 HydrophobicContact CZ-CG2 4.21Å
63R97.9Very high81.7Confident149 Ų14965.8 Ų65.856%0.56237%0.374SS*.EExtended strand (participates in β ladder)trans-86122.8171.9-57.6-179-163.8-146-1.8109.7E108 M109 M123 Q178R63-E108 WeakPolarHBondContact CD-OE2 3.43Å; R63-M109 WeakPolarHBondContact CA-O 3.27Å; R63-M123 HydrophobicContact CG-CE 4.31Å; R63-M123 HydrophobicContact CG-SD 4.28Å; R63-Q178 PolarHBondContact O-NE2 3.03Å; R63-Q178 PolarHBondContact O-OE1 3.35Å
64V97.8Very high84Confident2 Ų263.9 Ų63.91%0.01236%0.36CS..EExtended strand (participates in β ladder)trans-134.1158.1178.1-60.90000109.6E108 M109 L111 Y171 I182V64-E108 CarbonylContact O-C 3.55Å; V64-E108 WeakPolarHBondContact O-CA 3.18Å; V64-M109 PolarHBondContact N-O 2.81Å; V64-M109 PolarHBondContact O-N 2.82Å; V64-L111 HydrophobicContact CG1-CB 4.31Å; V64-L111 HydrophobicContact CG1-CD1 4.38Å; V64-L111 HydrophobicContact CG2-CB 3.71Å; V64-L111 HydrophobicContact CG2-CD1 4.04Å; V64-Y171 HydrophobicContact CG2-CD1 4.16Å; V64-Y171 HydrophobicContact CG2-CG 4.43Å; V64-I182 HydrophobicContact CG1-CD1 4.11Å
65K97.9Very high85.4Confident31 Ų3164 Ų6414%0.13535%0.345CS..EExtended strand (participates in β ladder)trans-97.3146166.5-70.1179.3158.4-170.80109.5P104 G105 E106 E108 Y171 Q172K65-P104 HydrophobicContact CB-CB 3.9Å; K65-P104 HydrophobicContact CB-CG 3.76Å; K65-P104 HydrophobicContact CD-CG 4.1Å; K65-G105 VanDerWaalsContact CD-O 3.3Å; K65-G105 WeakPolarHBondContact CD-O 3.33Å; K65-G105 WeakPolarHBondContact CE-O 3.49Å; K65-E106 WeakPolarHBondContact CE-O 3.49Å; K65-E106 IonicContact NZ-OE1 2.77Å; K65-E106 PolarHBondContact NZ-OE1 3.04Å; K65-E106 IonicContact NZ-OE2 2.92Å; K65-E106 PolarHBondContact NZ-OE2 2.93Å; K65-E108 HydrophobicContact CG-CG 4.45Å; K65-Y171 CarbonylContact O-C 3.54Å; K65-Y171 WeakPolarHBondContact O-CA 3.34Å; K65-Q172 HydrophobicContact CB-CB 4.4Å; K65-Q172 PolarHBondContact N-O 3.2Å; K65-Q172 PolarHBondContact O-N 2.95Å
66Y97.4Very high87Confident65 Ų6565.7 Ų65.726%0.25534%0.34SS..EExtended strand (participates in β ladder)trans-92.4127.5177-180-130.3000111G68 A69 P104 M109 H130 V170 Y171Y66-G68 VanDerWaalsContact CE2-C 3.44Å; Y66-G68 VanDerWaalsContact CE2-O 3.22Å; Y66-G68 WeakPolarHBondContact CE2-O 3.32Å; Y66-G68 VanDerWaalsContact CZ-C 3.49Å; Y66-A69 VanDerWaalsContact OH-CB 3.27Å; Y66-A69 WeakPolarHBondContact OH-CB 3.47Å; Y66-A69 PolarHBondContact OH-N 2.87Å; Y66-P104 WeakPolarHBondContact O-CB 3.47Å; Y66-M109 VanDerWaalsContact CB-SD 3.55Å; Y66-M109 HydrophobicContact CG-SD 4.32Å; Y66-H130 AromaticContact CZ-NE2 3.96Å; Y66-V170 WeakPolarHBondContact CD2-O 3.43Å; Y66-Y171 AromaticContact CD2-CD1 3.71Å; Y66-Y171 HydrophobicContact CD2-CD1 3.71Å; Y66-Y171 AromaticContact CD2-CE1 3.5Å; Y66-Y171 HydrophobicContact CD2-CE1 3.5Å; Y66-Y171 VanDerWaalsContact CD2-CE1 3.5Å; Y66-Y171 AromaticContact CE2-CE1 3.99Å; Y66-Y171 HydrophobicContact CE2-CE1 3.99Å; Y66-Y171 HydrophobicContact CG-CE1 4.42Å
67V97.4Very high88.3Confident9 Ų964.1 Ų64.16%0.05532%0.321CS..EExtended strand (participates in β ladder)trans-90.1-44177.9-176.90000109.7P101 P104 L153 V170 Q172V67-P101 HydrophobicContact CG1-CG 3.99Å; V67-P101 VanDerWaalsContact CG1-O 3.24Å; V67-P101 WeakPolarHBondContact CG1-O 3.48Å; V67-P101 WeakPolarHBondContact O-CD 3.34Å; V67-P101 WeakPolarHBondContact O-CG 3.44Å; V67-P104 HydrophobicContact CG2-CB 4Å; V67-P104 HydrophobicContact CG2-CG 4.27Å; V67-L153 HydrophobicContact CG2-CD2 4.05Å; V67-V170 HydrophobicContact CB-CB 4.05Å; V67-V170 HydrophobicContact CB-CG1 3.89Å; V67-V170 WeakPolarHBondContact CB-O 3.19Å; V67-V170 HydrophobicContact CG1-CG1 4.23Å; V67-V170 HydrophobicContact CG2-CG1 4.01Å; V67-V170 PolarHBondContact N-O 3.24Å; V67-Q172 HydrophobicContact CG2-CB 4.09Å
68G97.3Very high89.2Confident11 Ų1158.4 Ų58.411%0.11330%0.295CS..EExtended strand (participates in β ladder)trans152.9-170.617800000112.2Y66 V170Y66-G68 VanDerWaalsContact CE2-C 3.44Å; Y66-G68 VanDerWaalsContact CE2-O 3.22Å; Y66-G68 WeakPolarHBondContact CE2-O 3.32Å; Y66-G68 VanDerWaalsContact CZ-C 3.49Å; G68-V170 PolarHBondContact N-O 2.9Å; G68-V170 PolarHBondContact O-N 3.03Å
69A97.4Very high89.6Confident28 Ų2859 Ų5923%0.23129%0.292CS..EExtended strand (participates in β ladder)trans-141.9153.9175.500000112.5Y66 I168 W169Y66-A69 VanDerWaalsContact OH-CB 3.27Å; Y66-A69 WeakPolarHBondContact OH-CB 3.47Å; Y66-A69 PolarHBondContact OH-N 2.87Å; A69-I168 CarbonylContact C-O 3.51Å; A69-I168 WeakPolarHBondContact CA-O 3.32Å; A69-I168 WeakPolarHBondContact CB-O 3.29Å; A69-W169 HydrophobicContact CB-CD2 3.98Å; A69-W169 HydrophobicContact CB-CE3 3.38Å; A69-W169 HydrophobicContact CB-CZ3 3.71Å
70I95.6Very high89.3Confident20 Ų2058.9 Ų58.910%0.10329%0.288CS..EExtended strand (participates in β ladder)trans-115.699.6170.2-46.7174.2000106.2L73 Y90 A94 L100 S167 I168I70-L73 HydrophobicContact CB-CD1 4.36Å; I70-L73 HydrophobicContact CG2-CD1 3.9Å; I70-L73 HydrophobicContact CG2-CD2 3.73Å; I70-L73 HydrophobicContact CG2-CG 3.92Å; I70-Y90 HydrophobicContact CD1-CD1 4.22Å; I70-Y90 HydrophobicContact CD1-CE1 3.79Å; I70-Y90 HydrophobicContact CG2-CE1 4.47Å; I70-A94 HydrophobicContact CD1-CB 3.46Å; I70-A94 VanDerWaalsContact CD1-CB 3.46Å; I70-L100 HydrophobicContact CD1-CD1 3.87Å; I70-L100 HydrophobicContact CD1-CG 4.28Å; I70-L100 HydrophobicContact CG1-CD1 3.97Å; I70-L100 HydrophobicContact CG1-CD2 4.26Å; I70-L100 HydrophobicContact CG1-CG 4.06Å; I70-S167 CarbonylContact O-C 3.54Å; I70-S167 VanDerWaalsContact O-CA 3.28Å; I70-S167 WeakPolarHBondContact O-CA 3.48Å; I70-I168 HydrophobicContact CB-CB 4.46Å; I70-I168 PolarHBondContact N-O 3.21Å; I70-I168 PolarHBondContact O-N 2.73Å
71E93.8Very high88.7Confident99 Ų9957.9 Ų57.946%0.46328%0.279SS..EExtended strand (participates in β ladder)trans-92.2157.2-176.5-72.4-175.9-142.400113.2L73 S167 W169E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 2.75Å; E71-S167 WeakPolarHBondContact CA-OG 3.4Å; E71-W169 HydrophobicContact CG-CH2 3.95Å; E71-W169 HydrophobicContact CG-CZ2 4.37Å; E71-W169 HydrophobicContact CG-CZ3 4.49Å
72K88.1Confident87.9Confident144 Ų14459.4 Ų59.463%0.62629%0.286SS*.EExtended strand (participates in β ladder)trans57.543.1167.5-61160.1-170153.70112.9C166 S167K72-C166 PolarHBondContact N-O 2.97Å; K72-S167 PolarHBondContact N-OG 3.2Å
73L88.4Confident87.6Confident17 Ų1763.4 Ų63.49%0.08931%0.305CS..EExtended strand (participates in β ladder)trans-75.4126.2170.1-65.8174.1000109.1I70 E71 Y90 D165 C166 I168I70-L73 HydrophobicContact CB-CD1 4.36Å; I70-L73 HydrophobicContact CG2-CD1 3.9Å; I70-L73 HydrophobicContact CG2-CD2 3.73Å; I70-L73 HydrophobicContact CG2-CG 3.92Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 2.75Å; L73-Y90 HydrophobicContact CD1-CE1 3.84Å; L73-Y90 VanDerWaalsContact CD2-OH 3.25Å; L73-Y90 WeakPolarHBondContact CD2-OH 3.21Å; L73-D165 WeakPolarHBondContact O-CA 3.46Å; L73-C166 WeakPolarHBondContact CB-O 3.32Å; L73-C166 PolarHBondContact N-O 2.98Å; L73-C166 PolarHBondContact O-N 2.78Å; L73-I168 HydrophobicContact CD1-CD1 3.6Å; L73-I168 HydrophobicContact CD1-CG1 4.06Å
74P84.3Confident87.4Confident76 Ų7658.6 Ų58.649%0.49429%0.293SS..EExtended strand (participates in β ladder)trans-59147.8-176.9-25.834.1000113.3E76 M77 S78P74-E76 PolarHBondContact O-N 3.48Å; P74-M77 WeakPolarHBondContact O-CB 3.38Å; P74-M77 PolarHBondContact O-N 2.66Å; P74-S78 PolarHBondContact O-N 2.81Å
75F72.1Confident87.2Confident82 Ų8264.3 Ų64.336%0.3632%0.323SS..Hα-helixtrans-47.5-36-177.8-168.9-119000115.1M77 S78 K79 Q163 Q164F75-M77 VanDerWaalsContact C-N 3.35Å; F75-M77 PolarHBondContact O-N 2.93Å; F75-S78 VanDerWaalsContact CD2-OG 3.27Å; F75-S78 WeakPolarHBondContact CD2-OG 3.36Å; F75-S78 WeakPolarHBondContact O-CA 3.27Å; F75-S78 WeakPolarHBondContact O-CB 3.07Å; F75-S78 PolarHBondContact O-N 3.07Å; F75-S78 PolarHBondContact O-OG 3.25Å; F75-K79 VanDerWaalsContact CE1-CE 3.44Å; F75-K79 HydrophobicContact CE1-CG 4.48Å; F75-K79 PolarHBondContact O-N 2.9Å; F75-Q163 WeakPolarHBondContact CD2-O 3.36Å; F75-Q163 VanDerWaalsContact CE2-O 3.27Å; F75-Q163 WeakPolarHBondContact CE2-O 3.49Å; F75-Q164 WeakPolarHBondContact CA-O 3.42Å; F75-Q164 VanDerWaalsContact CB-O 3.29Å; F75-Q164 WeakPolarHBondContact CB-O 3.33Å; F75-Q164 PolarHBondContact N-O 2.99Å
76E75.9Confident87Confident116 Ų11666.3 Ų66.354%0.54233%0.333SS..Hα-helixtrans-64-40.2-179.7-148.561.5-149.300112P74 S78 K79 T80P74-E76 PolarHBondContact O-N 3.48Å; E76-S78 PolarHBondContact O-N 2.97Å; E76-K79 WeakPolarHBondContact O-CB 3.49Å; E76-K79 PolarHBondContact O-N 3.02Å; E76-K79 VanDerWaalsContact O-N 3.17Å; E76-K79 WeakPolarHBondContact OE1-CD 3.45Å; E76-K79 IonicContact OE1-NZ 2.66Å; E76-K79 PolarHBondContact OE1-NZ 2.99Å; E76-K79 WeakPolarHBondContact OE2-CE 3.21Å; E76-K79 IonicContact OE2-NZ 2.69Å; E76-K79 PolarHBondContact OE2-NZ 3.32Å; E76-T80 PolarHBondContact O-N 3.09Å
77M73.8Confident86.8Confident74 Ų7463.2 Ų63.237%0.36532%0.321SS..Hα-helixtrans-66.8-27.5171.4-64.7-61.2-62.200111.6P74 F75 K79 T80 L81 Y90P74-M77 WeakPolarHBondContact O-CB 3.38Å; P74-M77 PolarHBondContact O-N 2.66Å; F75-M77 VanDerWaalsContact C-N 3.35Å; F75-M77 PolarHBondContact O-N 2.93Å; M77-K79 PolarHBondContact O-N 3.32Å; M77-T80 PolarHBondContact O-N 3.46Å; M77-T80 PolarHBondContact O-OG1 3.45Å; M77-L81 WeakPolarHBondContact O-CD1 3.42Å; M77-L81 VanDerWaalsContact O-CG 3.24Å; M77-L81 WeakPolarHBondContact O-CG 3.37Å; M77-L81 PolarHBondContact O-N 2.91Å; M77-Y90 HydrophobicContact CE-CD2 4.44Å; M77-Y90 HydrophobicContact CE-CE2 3.82Å
78S72.5Confident86.8Confident4 Ų464.2 Ų64.23%0.02833%0.325CS..Hα-helixtrans-65.6-27.5174.792.70000112.7P74 F75 E76 K157 C166P74-S78 PolarHBondContact O-N 2.81Å; F75-S78 VanDerWaalsContact CD2-OG 3.27Å; F75-S78 WeakPolarHBondContact CD2-OG 3.36Å; F75-S78 WeakPolarHBondContact O-CA 3.27Å; F75-S78 WeakPolarHBondContact O-CB 3.07Å; F75-S78 PolarHBondContact O-N 3.07Å; F75-S78 PolarHBondContact O-OG 3.25Å; E76-S78 PolarHBondContact O-N 2.97Å; S78-K157 PolarHBondContact O-NZ 2.62Å; S78-C166 WeakPolarHBondContact CB-SG 3.45Å
79K75.4Confident86.7Confident85 Ų8568.7 Ų68.737%0.3735%0.347SS..Hα-helixtrans-75.8-40.1175.7-58.7173.2-172.71680112.1F75 E76 M77 L81 Q82F75-K79 VanDerWaalsContact CE1-CE 3.44Å; F75-K79 HydrophobicContact CE1-CG 4.48Å; F75-K79 PolarHBondContact O-N 2.9Å; E76-K79 WeakPolarHBondContact O-CB 3.49Å; E76-K79 PolarHBondContact O-N 3.02Å; E76-K79 VanDerWaalsContact O-N 3.17Å; E76-K79 WeakPolarHBondContact OE1-CD 3.45Å; E76-K79 IonicContact OE1-NZ 2.66Å; E76-K79 PolarHBondContact OE1-NZ 2.99Å; E76-K79 WeakPolarHBondContact OE2-CE 3.21Å; E76-K79 IonicContact OE2-NZ 2.69Å; E76-K79 PolarHBondContact OE2-NZ 3.32Å; M77-K79 PolarHBondContact O-N 3.32Å; K79-L81 PolarHBondContact O-N 2.9Å; K79-L81 VanDerWaalsContact O-N 3.16Å; K79-Q82 WeakPolarHBondContact O-CB 3.4Å; K79-Q82 WeakPolarHBondContact O-CG 3.29Å; K79-Q82 PolarHBondContact O-N 3.04Å
80T80.5Confident86.6Confident76 Ų7669.8 Ų69.847%0.46635%0.345SS..THydrogen-bonded Turntrans-79.515.3177.563.80000113.5E76 M77E76-T80 PolarHBondContact O-N 3.09Å; M77-T80 PolarHBondContact O-N 3.46Å; M77-T80 PolarHBondContact O-OG1 3.45Å
81L84.1Confident86.6Confident6 Ų668.9 Ų68.93%0.03134%0.34CS..THydrogen-bonded Turntrans-132.940.9174.9-60.8174.3000108.3M77 K79 E86 Y90 K157 I168M77-L81 WeakPolarHBondContact O-CD1 3.42Å; M77-L81 VanDerWaalsContact O-CG 3.24Å; M77-L81 WeakPolarHBondContact O-CG 3.37Å; M77-L81 PolarHBondContact O-N 2.91Å; K79-L81 PolarHBondContact O-N 2.9Å; K79-L81 VanDerWaalsContact O-N 3.16Å; L81-E86 WeakPolarHBondContact CA-OE2 3.47Å; L81-E86 HydrophobicContact CD2-CB 4.17Å; L81-E86 WeakPolarHBondContact CD2-O 3.38Å; L81-E86 PolarHBondContact N-OE2 3.3Å; L81-Y90 HydrophobicContact CD1-CD1 4.19Å; L81-Y90 HydrophobicContact CD1-CD2 4.38Å; L81-Y90 HydrophobicContact CD1-CG 4.11Å; L81-Y90 HydrophobicContact CD2-CD2 4.03Å; L81-Y90 HydrophobicContact CD2-CG 3.79Å; L81-K157 PolarHBondContact O-NZ 3.38Å; L81-I168 HydrophobicContact CD1-CD1 4.16Å
82Q81.1Confident86.7Confident123 Ų12366.3 Ų66.358%0.57533%0.33SS*.  trans-91.4-23.8179-87.7-168.98.600112.3K79 E86 R139K79-Q82 WeakPolarHBondContact O-CB 3.4Å; K79-Q82 WeakPolarHBondContact O-CG 3.29Å; K79-Q82 PolarHBondContact O-N 3.04Å; Q82-E86 PolarHBondContact N-OE2 3.09Å; Q82-R139 PolarHBondContact O-NH1 2.84Å; Q82-R139 PolarHBondContact O-NH2 2.74Å
83E90.6Very high87.1Confident115 Ų11561.4 Ų61.454%0.53732%0.316SS..SBendtrans-92.6149.7172.9-70.8-54.813800112.4L85 E86 L87E83-L85 VanDerWaalsContact C-N 3.28Å; E83-L85 PolarHBondContact O-N 3.42Å; E83-E86 HydrophobicContact CB-CG 3.98Å; E83-E86 PolarHBondContact N-OE2 3.14Å; E83-E86 PolarHBondContact O-N 3.19Å; E83-L87 PolarHBondContact O-N 3.25Å
84P93.3Very high87.5Confident47 Ų4760.7 Ų60.731%0.30531%0.313SS..Hα-helixtrans-58.2-39.3-179.7-26.636000113.4L87 I88 L141P84-L87 PolarHBondContact O-N 2.69Å; P84-I88 WeakPolarHBondContact O-CG1 3.44Å; P84-I88 PolarHBondContact O-N 3.42Å; P84-I88 VanDerWaalsContact O-N 3.13Å; P84-L141 HydrophobicContact CB-CD1 4.04Å; P84-L141 HydrophobicContact CB-CD2 3.96Å; P84-L141 HydrophobicContact CG-CD2 4.41Å
85L94.1Very high88.1Confident122 Ų12257.7 Ų57.764%0.63929%0.292SS*.Hα-helixtrans-70.6-31.7-179.2-59.4178.5000112.5E83 N89E83-L85 VanDerWaalsContact C-N 3.28Å; E83-L85 PolarHBondContact O-N 3.42Å; L85-N89 VanDerWaalsContact O-CB 3.31Å; L85-N89 WeakPolarHBondContact O-CB 3.4Å; L85-N89 PolarHBondContact O-N 3Å; L85-N89 PolarHBondContact O-ND2 3.38Å
86E93.3Very high89.2Confident73 Ų7361 Ų6134%0.34131%0.309SS..Hα-helixtrans-64.1-43.9174.2-65.3174.1150.600110.8L81 Q82 E83 Y90L81-E86 WeakPolarHBondContact CA-OE2 3.47Å; L81-E86 HydrophobicContact CD2-CB 4.17Å; L81-E86 WeakPolarHBondContact CD2-O 3.38Å; L81-E86 PolarHBondContact N-OE2 3.3Å; Q82-E86 PolarHBondContact N-OE2 3.09Å; E83-E86 HydrophobicContact CB-CG 3.98Å; E83-E86 PolarHBondContact N-OE2 3.14Å; E83-E86 PolarHBondContact O-N 3.19Å; E86-Y90 VanDerWaalsContact O-CB 3.3Å; E86-Y90 WeakPolarHBondContact O-CB 3.26Å; E86-Y90 PolarHBondContact O-N 2.95Å
87L94.4Very high90.2Very high0 Ų060.5 Ų60.50%031%0.31CS..Hα-helixtrans-67.2-38.5179-176.956000112.4E83 P84 I91 L141 K157 I168E83-L87 PolarHBondContact O-N 3.25Å; P84-L87 PolarHBondContact O-N 2.69Å; L87-I91 HydrophobicContact CD1-CD1 4.29Å; L87-I91 HydrophobicContact CG-CD1 4.29Å; L87-I91 WeakPolarHBondContact O-CD1 3.45Å; L87-I91 WeakPolarHBondContact O-CG1 3.21Å; L87-I91 PolarHBondContact O-N 3.37Å; L87-L141 HydrophobicContact CB-CD1 4.09Å; L87-L141 HydrophobicContact CD2-CD1 3.82Å; L87-L141 HydrophobicContact CD2-CG 4.43Å; L87-L141 HydrophobicContact CG-CD1 4.2Å; L87-K157 HydrophobicContact CD2-CB 4.11Å; L87-K157 HydrophobicContact CD2-CD 4.44Å; L87-I168 HydrophobicContact CD1-CD1 3.56Å; L87-I168 HydrophobicContact CD1-CG1 3.92Å; L87-I168 HydrophobicContact CD1-CG2 4.15Å
88I96.3Very high91.2Very high30 Ų3060 Ų6015%0.15432%0.324CS..Hα-helixtrans-62.8-57.9173.1-69.8166000110P84 Y90 I91 D92 L141 Y143P84-I88 WeakPolarHBondContact O-CG1 3.44Å; P84-I88 PolarHBondContact O-N 3.42Å; P84-I88 VanDerWaalsContact O-N 3.13Å; I88-Y90 PolarHBondContact O-N 2.53Å; I88-I91 PolarHBondContact O-N 3.32Å; I88-D92 WeakPolarHBondContact CG2-OD2 3.41Å; I88-D92 PolarHBondContact O-N 3.38Å; I88-L141 HydrophobicContact CG1-CD1 4.44Å; I88-Y143 HydrophobicContact CB-CE2 4.36Å; I88-Y143 HydrophobicContact CD1-CD1 4.3Å; I88-Y143 HydrophobicContact CD1-CD2 4.2Å; I88-Y143 HydrophobicContact CD1-CG 3.96Å; I88-Y143 HydrophobicContact CG1-CD1 3.92Å; I88-Y143 HydrophobicContact CG1-CD2 4.05Å; I88-Y143 HydrophobicContact CG1-CE1 3.98Å; I88-Y143 HydrophobicContact CG1-CE2 4.11Å; I88-Y143 HydrophobicContact CG1-CG 3.94Å; I88-Y143 HydrophobicContact CG2-CD2 3.94Å; I88-Y143 HydrophobicContact CG2-CE2 3.62Å
89N95.2Very high92.3Very high105 Ų10565.9 Ų65.956%0.56135%0.349SS*.Hα-helixtrans-53.9-33.7179.6-69.5-21.1000112.9L85 A93L85-N89 VanDerWaalsContact O-CB 3.31Å; L85-N89 WeakPolarHBondContact O-CB 3.4Å; L85-N89 PolarHBondContact O-N 3Å; L85-N89 PolarHBondContact O-ND2 3.38Å; N89-A93 VanDerWaalsContact O-CB 3.24Å; N89-A93 WeakPolarHBondContact O-CB 3.37Å; N89-A93 PolarHBondContact O-N 2.96Å
90Y95.3Very high93.4Very high52 Ų5262.1 Ų62.120%0.20433%0.333CS..Hα-helixtrans-71.9-37.8177.2-171.4-92000113.4I70 L73 M77 L81 E86 I88 A94 I168I70-Y90 HydrophobicContact CD1-CD1 4.22Å; I70-Y90 HydrophobicContact CD1-CE1 3.79Å; I70-Y90 HydrophobicContact CG2-CE1 4.47Å; L73-Y90 HydrophobicContact CD1-CE1 3.84Å; L73-Y90 VanDerWaalsContact CD2-OH 3.25Å; L73-Y90 WeakPolarHBondContact CD2-OH 3.21Å; M77-Y90 HydrophobicContact CE-CD2 4.44Å; M77-Y90 HydrophobicContact CE-CE2 3.82Å; L81-Y90 HydrophobicContact CD1-CD1 4.19Å; L81-Y90 HydrophobicContact CD1-CD2 4.38Å; L81-Y90 HydrophobicContact CD1-CG 4.11Å; L81-Y90 HydrophobicContact CD2-CD2 4.03Å; L81-Y90 HydrophobicContact CD2-CG 3.79Å; E86-Y90 VanDerWaalsContact O-CB 3.3Å; E86-Y90 WeakPolarHBondContact O-CB 3.26Å; E86-Y90 PolarHBondContact O-N 2.95Å; I88-Y90 PolarHBondContact O-N 2.53Å; Y90-A94 VanDerWaalsContact O-CB 3.3Å; Y90-A94 WeakPolarHBondContact O-CB 3.28Å; Y90-A94 PolarHBondContact O-N 3.3Å; Y90-I168 HydrophobicContact CD1-CD1 3.63Å; Y90-I168 HydrophobicContact CE1-CD1 3.84Å
91I96.3Very high94.1Very high0 Ų061.4 Ų61.40%033%0.33CS..Hα-helixtrans-68.5-45.3174.2-67.5163000109.7L87 I88 A93 A94 Q95 L100 Y143 A155 I168 V170L87-I91 HydrophobicContact CD1-CD1 4.29Å; L87-I91 HydrophobicContact CG-CD1 4.29Å; L87-I91 WeakPolarHBondContact O-CD1 3.45Å; L87-I91 WeakPolarHBondContact O-CG1 3.21Å; L87-I91 PolarHBondContact O-N 3.37Å; I88-I91 PolarHBondContact O-N 3.32Å; I91-A93 VanDerWaalsContact C-N 3.32Å; I91-A93 PolarHBondContact O-N 3.35Å; I91-A94 CarbonylContact O-C 3.44Å; I91-A94 WeakPolarHBondContact O-CA 3.4Å; I91-A94 WeakPolarHBondContact O-CB 3.22Å; I91-A94 PolarHBondContact O-N 2.88Å; I91-Q95 PolarHBondContact O-N 3.37Å; I91-L100 HydrophobicContact CG2-CD1 4.05Å; I91-Y143 HydrophobicContact CD1-CE1 4.47Å; I91-Y143 VanDerWaalsContact CG2-OH 3.29Å; I91-Y143 WeakPolarHBondContact CG2-OH 3.12Å; I91-A155 HydrophobicContact CD1-CB 3.45Å; I91-A155 VanDerWaalsContact CD1-CB 3.45Å; I91-I168 HydrophobicContact CD1-CG2 3.91Å; I91-I168 HydrophobicContact CG1-CG2 4.03Å; I91-V170 HydrophobicContact CD1-CG2 4.07Å; I91-V170 HydrophobicContact CG1-CG2 4.29Å; I91-V170 HydrophobicContact CG2-CG2 4.18Å
92D95.9Very high94.6Very high46 Ų4665.3 Ų65.325%0.24635%0.346CS..Hα-helixtrans-62.3-40.9179.8-55.1-7.7000110.9I88 Q95 Q96 Y143I88-D92 WeakPolarHBondContact CG2-OD2 3.41Å; I88-D92 PolarHBondContact O-N 3.38Å; D92-Q95 PolarHBondContact O-N 2.88Å; D92-Q96 VanDerWaalsContact O-CG 3.32Å; D92-Q96 WeakPolarHBondContact O-CG 3.39Å; D92-Q96 PolarHBondContact O-N 3.47Å; D92-Q96 PolarHBondContact O-NE2 3.45Å; D92-Y143 PolarHBondContact OD1-OH 2.76Å
93A96.1Very high95.2Very high40 Ų4064 Ų6433%0.33135%0.347SS..Hα-helixtrans-65.5-39171.700000112.3N89 I91 Q95 Q96 D97N89-A93 VanDerWaalsContact O-CB 3.24Å; N89-A93 WeakPolarHBondContact O-CB 3.37Å; N89-A93 PolarHBondContact O-N 2.96Å; I91-A93 VanDerWaalsContact C-N 3.32Å; I91-A93 PolarHBondContact O-N 3.35Å; A93-Q95 VanDerWaalsContact C-N 3.3Å; A93-Q95 PolarHBondContact O-N 2.97Å; A93-Q96 PolarHBondContact O-N 2.93Å; A93-D97 WeakPolarHBondContact O-CB 3.27Å; A93-D97 PolarHBondContact O-N 3.15Å
94A96.6Very high95.5Very high3 Ų359 Ų593%0.02532%0.324CS..Hα-helixtrans-67-29.3175.500000113I70 Y90 I91 G98 K99 L100I70-A94 HydrophobicContact CD1-CB 3.46Å; I70-A94 VanDerWaalsContact CD1-CB 3.46Å; Y90-A94 VanDerWaalsContact O-CB 3.3Å; Y90-A94 WeakPolarHBondContact O-CB 3.28Å; Y90-A94 PolarHBondContact O-N 3.3Å; I91-A94 CarbonylContact O-C 3.44Å; I91-A94 WeakPolarHBondContact O-CA 3.4Å; I91-A94 WeakPolarHBondContact O-CB 3.22Å; I91-A94 PolarHBondContact O-N 2.88Å; A94-G98 PolarHBondContact O-N 2.88Å; A94-K99 HydrophobicContact CB-CB 4.26Å; A94-K99 HydrophobicContact CB-CD 4.37Å; A94-K99 WeakPolarHBondContact O-CA 3.4Å; A94-K99 WeakPolarHBondContact O-CB 3.35Å; A94-K99 PolarHBondContact O-N 2.98Å; A94-L100 HydrophobicContact CB-CD1 4.36Å; A94-L100 HydrophobicContact CB-CG 4.5Å; A94-L100 PolarHBondContact O-N 2.65Å
95Q96.7Very high95.5Very high12 Ų1259 Ų596%0.05633%0.333CS..Hα-helixtrans-72.4-41.7170.7-70.1178-42.400111.9I91 D92 A93 D97 G98 L100 P101 F102I91-Q95 PolarHBondContact O-N 3.37Å; D92-Q95 PolarHBondContact O-N 2.88Å; A93-Q95 VanDerWaalsContact C-N 3.3Å; A93-Q95 PolarHBondContact O-N 2.97Å; Q95-D97 VanDerWaalsContact C-N 3.33Å; Q95-D97 PolarHBondContact O-N 3.14Å; Q95-G98 PolarHBondContact O-N 2.89Å; Q95-L100 WeakPolarHBondContact CA-O 3.33Å; Q95-L100 HydrophobicContact CG-CB 3.74Å; Q95-P101 PolarHBondContact NE2-O 3.29Å; Q95-F102 HydrophobicContact CB-CD1 3.87Å; Q95-F102 HydrophobicContact CB-CD2 4.28Å; Q95-F102 HydrophobicContact CB-CE1 3.56Å; Q95-F102 HydrophobicContact CB-CE2 3.98Å; Q95-F102 HydrophobicContact CB-CG 4.23Å; Q95-F102 HydrophobicContact CB-CZ 3.62Å; Q95-F102 HydrophobicContact CG-CD1 4.42Å; Q95-F102 HydrophobicContact CG-CE1 4.5Å; Q95-F102 WeakPolarHBondContact O-CE2 3.48Å
96Q96.4Very high95.4Very high151 Ų15160.5 Ų60.571%0.70634%0.337SS*.Hα-helixtrans-62.4-37.7173.6-69.7168.445.200112.5D92 A93 G98 F102D92-Q96 VanDerWaalsContact O-CG 3.32Å; D92-Q96 WeakPolarHBondContact O-CG 3.39Å; D92-Q96 PolarHBondContact O-N 3.47Å; D92-Q96 PolarHBondContact O-NE2 3.45Å; A93-Q96 PolarHBondContact O-N 2.93Å; Q96-G98 PolarHBondContact O-N 2.91Å; Q96-F102 HydrophobicContact CG-CZ 4.05Å
97D96.7Very high95.5Very high106 Ų10663.8 Ų63.857%0.56735%0.352SS*.THydrogen-bonded Turntrans-71.8-6.7172.9-77.8-20.6000113.7A93 Q95 K99A93-D97 WeakPolarHBondContact O-CB 3.27Å; A93-D97 PolarHBondContact O-N 3.15Å; Q95-D97 VanDerWaalsContact C-N 3.33Å; Q95-D97 PolarHBondContact O-N 3.14Å; D97-K99 VanDerWaalsContact C-N 3.27Å; D97-K99 HydrophobicContact CB-CD 3.84Å; D97-K99 HydrophobicContact CB-CG 4Å; D97-K99 PolarHBondContact O-N 3.46Å; D97-K99 WeakPolarHBondContact OD2-CE 3.39Å; D97-K99 IonicContact OD2-NZ 2.69Å; D97-K99 PolarHBondContact OD2-NZ 3.27Å
98G95.1Very high95.6Very high64 Ų6467.4 Ų67.466%0.6637%0.369SS*.THydrogen-bonded Turntrans70.515.7-176.100000115A94 Q95 Q96A94-G98 PolarHBondContact O-N 2.88Å; Q95-G98 PolarHBondContact O-N 2.89Å; Q96-G98 PolarHBondContact O-N 2.91Å
99K95.9Very high95.7Very high128 Ų12866.3 Ų66.356%0.55736%0.364SS*.SBendtrans-77.4-27.3175-61.8162.1-178.5160.30112A94 D97A94-K99 HydrophobicContact CB-CB 4.26Å; A94-K99 HydrophobicContact CB-CD 4.37Å; A94-K99 WeakPolarHBondContact O-CA 3.4Å; A94-K99 WeakPolarHBondContact O-CB 3.35Å; A94-K99 PolarHBondContact O-N 2.98Å; D97-K99 VanDerWaalsContact C-N 3.27Å; D97-K99 HydrophobicContact CB-CD 3.84Å; D97-K99 HydrophobicContact CB-CG 4Å; D97-K99 PolarHBondContact O-N 3.46Å; D97-K99 WeakPolarHBondContact OD2-CE 3.39Å; D97-K99 IonicContact OD2-NZ 2.69Å; D97-K99 PolarHBondContact OD2-NZ 3.27Å
100L97.1Very high95.8Very high6 Ų661.9 Ų61.93%0.03134%0.34CS..SBendtrans-125.4148.6169.3-69.2176.9000109I70 I91 A94 Q95 V170I70-L100 HydrophobicContact CD1-CD1 3.87Å; I70-L100 HydrophobicContact CD1-CG 4.28Å; I70-L100 HydrophobicContact CG1-CD1 3.97Å; I70-L100 HydrophobicContact CG1-CD2 4.26Å; I70-L100 HydrophobicContact CG1-CG 4.06Å; I91-L100 HydrophobicContact CG2-CD1 4.05Å; A94-L100 HydrophobicContact CB-CD1 4.36Å; A94-L100 HydrophobicContact CB-CG 4.5Å; A94-L100 PolarHBondContact O-N 2.65Å; Q95-L100 WeakPolarHBondContact CA-O 3.33Å; Q95-L100 HydrophobicContact CG-CB 3.74Å; L100-V170 HydrophobicContact CD1-CG2 3.99Å
101P96.7Very high96Very high61 Ų6159.5 Ų59.540%0.39633%0.331SS..  trans-75.5152.2169.432.9-34.2000111V67 Q95V67-P101 HydrophobicContact CG1-CG 3.99Å; V67-P101 VanDerWaalsContact CG1-O 3.24Å; V67-P101 WeakPolarHBondContact CG1-O 3.48Å; V67-P101 WeakPolarHBondContact O-CD 3.34Å; V67-P101 WeakPolarHBondContact O-CG 3.44Å; Q95-P101 PolarHBondContact NE2-O 3.29Å
102F93.9Very high96Very high87 Ų8759.7 Ų59.738%0.38233%0.333SS..SBendtrans-71.6-31.7169.9-76.4-79.7000112.8Q95 Q96 L147Q95-F102 HydrophobicContact CB-CD1 3.87Å; Q95-F102 HydrophobicContact CB-CD2 4.28Å; Q95-F102 HydrophobicContact CB-CE1 3.56Å; Q95-F102 HydrophobicContact CB-CE2 3.98Å; Q95-F102 HydrophobicContact CB-CG 4.23Å; Q95-F102 HydrophobicContact CB-CZ 3.62Å; Q95-F102 HydrophobicContact CG-CD1 4.42Å; Q95-F102 HydrophobicContact CG-CE1 4.5Å; Q95-F102 WeakPolarHBondContact O-CE2 3.48Å; Q96-F102 HydrophobicContact CG-CZ 4.05Å; F102-L147 HydrophobicContact CB-CD1 4.16Å; F102-L147 HydrophobicContact CD1-CD1 4.39Å; F102-L147 HydrophobicContact CD1-CD2 4.15Å
103V93.8Very high96.1Very high96 Ų9657.5 Ų57.558%0.58232%0.321SS*.SBendtrans-125.3128.2-178.5-175.20000108.5
104P95.6Very high96.1Very high9 Ų956.6 Ų56.66%0.05831%0.313CS..  trans-69.5170.4177.430.8-36.9000112.3K65 Y66 V67 Q172K65-P104 HydrophobicContact CB-CB 3.9Å; K65-P104 HydrophobicContact CB-CG 3.76Å; K65-P104 HydrophobicContact CD-CG 4.1Å; Y66-P104 WeakPolarHBondContact O-CB 3.47Å; V67-P104 HydrophobicContact CG2-CB 4Å; V67-P104 HydrophobicContact CG2-CG 4.27Å; P104-Q172 VanDerWaalsContact CD-OE1 3.22Å; P104-Q172 HydrophobicContact CG-CB 3.91Å; P104-Q172 HydrophobicContact CG-CG 4.41Å
105G93.6Very high95.9Very high49 Ų4959.9 Ų59.951%0.50533%0.326SS..  trans-64.4172.5169.700000113.5K65 E107K65-G105 VanDerWaalsContact CD-O 3.3Å; K65-G105 WeakPolarHBondContact CD-O 3.33Å; K65-G105 WeakPolarHBondContact CE-O 3.49Å; G105-E107 VanDerWaalsContact C-N 3.28Å; G105-E107 PolarHBondContact O-N 2.97Å
106E93.6Very high95.8Very high153 Ų15367 Ų6772%0.71535%0.354SS*.SBendtrans-76.7-12.3177.8-72.6-54120.400114.5K65 E108K65-E106 WeakPolarHBondContact CE-O 3.49Å; K65-E106 IonicContact NZ-OE1 2.77Å; K65-E106 PolarHBondContact NZ-OE1 3.04Å; K65-E106 IonicContact NZ-OE2 2.92Å; K65-E106 PolarHBondContact NZ-OE2 2.93Å; E106-E108 PolarHBondContact O-N 2.69Å
107E94.8Very high95.8Very high142 Ų14260 Ų6066%0.66432%0.322SS*.  trans-70.2119.6179.5-170.9171.3178.300112.2G105G105-E107 VanDerWaalsContact C-N 3.28Å; G105-E107 PolarHBondContact O-N 2.97Å
108E96.9Very high95.9Very high75 Ų7555.3 Ų55.335%0.3530%0.297SS..EExtended strand (participates in β ladder)trans-79.8157.3166.6-64.7-162.6144.300111.1R63 V64 K65 E106 M123R63-E108 WeakPolarHBondContact CD-OE2 3.43Å; V64-E108 CarbonylContact O-C 3.55Å; V64-E108 WeakPolarHBondContact O-CA 3.18Å; K65-E108 HydrophobicContact CG-CG 4.45Å; E106-E108 PolarHBondContact O-N 2.69Å; E108-M123 HydrophobicContact CB-CG 4.02Å; E108-M123 HydrophobicContact CB-SD 3.99Å; E108-M123 WeakPolarHBondContact O-CG 3.22Å
109M97.3Very high96Very high8 Ų854.4 Ų54.44%0.03928%0.275CS..EExtended strand (participates in β ladder)trans-139.7152.9-179.3-56.3-167.281.200110.7R63 V64 Y66 V120 L129R63-M109 WeakPolarHBondContact CA-O 3.27Å; V64-M109 PolarHBondContact N-O 2.81Å; V64-M109 PolarHBondContact O-N 2.82Å; Y66-M109 VanDerWaalsContact CB-SD 3.55Å; Y66-M109 HydrophobicContact CG-SD 4.32Å; M109-V120 HydrophobicContact CB-CG1 4.15Å; M109-V120 HydrophobicContact CE-CG1 3.78Å; M109-V120 HydrophobicContact SD-CG1 3.99Å; M109-L129 HydrophobicContact CE-CB 4.36Å; M109-L129 HydrophobicContact CE-CD1 3.42Å; M109-L129 VanDerWaalsContact CE-CD1 3.42Å; M109-L129 HydrophobicContact CE-CD2 3.56Å; M109-L129 HydrophobicContact CE-CG 3.95Å
110V98Very high96.1Very high12 Ų1248.3 Ų48.37%0.07325%0.248CC..EExtended strand (participates in β ladder)trans-91107.5174.7-176.70000109.9E61 V120 A121 M123 Q125E61-V110 HydrophobicContact CB-CG1 3.92Å; E61-V110 HydrophobicContact CG-CG1 4.24Å; V110-V120 WeakPolarHBondContact O-CA 3.47Å; V110-A121 PolarHBondContact N-O 3.21Å; V110-A121 PolarHBondContact O-N 3.07Å; V110-M123 HydrophobicContact CG2-SD 3.81Å; V110-Q125 HydrophobicContact CG2-CG 4.27Å
111L98.2Very high96.2Very high2 Ų248 Ų481%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-94.5106.9169.4-172.2160.3000108.8F62 V64 V113 V118 K119 V120 L154 Y171 I182F62-L111 PolarHBondContact N-O 2.91Å; F62-L111 PolarHBondContact O-N 2.83Å; V64-L111 HydrophobicContact CG1-CB 4.31Å; V64-L111 HydrophobicContact CG1-CD1 4.38Å; V64-L111 HydrophobicContact CG2-CB 3.71Å; V64-L111 HydrophobicContact CG2-CD1 4.04Å; L111-V113 HydrophobicContact CD2-CG2 3.52Å; L111-V118 HydrophobicContact CD1-CG1 4.32Å; L111-V118 HydrophobicContact CD2-CG1 3.76Å; L111-V118 HydrophobicContact CG-CG1 3.75Å; L111-K119 CarbonylContact C-O 3.54Å; L111-K119 WeakPolarHBondContact CA-O 3.38Å; L111-V120 HydrophobicContact CG-CG2 4.28Å; L111-L154 HydrophobicContact CD1-CD2 3.9Å; L111-Y171 HydrophobicContact CD1-CD2 4.13Å; L111-Y171 HydrophobicContact CD1-CE2 4.43Å; L111-Y171 HydrophobicContact CD1-CG 4.19Å; L111-I182 HydrophobicContact CD2-CG2 4.13Å
112G97.4Very high96.2Very high4 Ų445.7 Ų45.74%0.04123%0.232CC..EExtended strand (participates in β ladder)trans-98.5127.2175.100000111.7A60 V118 K119A60-G112 CarbonylContact O-C 3.58Å; A60-G112 WeakPolarHBondContact O-CA 3.41Å; G112-V118 CarbonylContact O-C 3.49Å; G112-V118 WeakPolarHBondContact O-CA 3.15Å; G112-K119 PolarHBondContact N-O 2.75Å; G112-K119 PolarHBondContact O-N 2.77Å
113V97.8Very high96.3Very high0 Ų045.2 Ų45.20%023%0.232CC..EExtended strand (participates in β ladder)trans-109.1136.3175.4-169.30000109.6C59 A60 F62 L111 V118 I182 V185 L186C59-V113 WeakPolarHBondContact CA-O 3.28Å; A60-V113 PolarHBondContact N-O 2.84Å; A60-V113 PolarHBondContact O-N 3.3Å; F62-V113 HydrophobicContact CD2-CG2 4.4Å; F62-V113 HydrophobicContact CE2-CG2 4.19Å; L111-V113 HydrophobicContact CD2-CG2 3.52Å; V113-V118 HydrophobicContact CG1-CG2 4.48Å; V113-V118 HydrophobicContact CG2-CG2 4.41Å; V113-I182 HydrophobicContact CG2-CG2 4.1Å; V113-V185 HydrophobicContact CB-CB 4.42Å; V113-V185 HydrophobicContact CB-CG1 3.87Å; V113-V185 HydrophobicContact CG1-CB 4.32Å; V113-V185 HydrophobicContact CG1-CG1 3.83Å; V113-L186 HydrophobicContact CG1-CB 3.99Å; V113-L186 HydrophobicContact CG1-CD1 3.94Å
114S95.4Very high96.3Very high21 Ų2145.8 Ų45.815%0.14723%0.232CC..EExtended strand (participates in β ladder)trans-156.6177.1178.368.30000112.2Y116 G117S114-Y116 PolarHBondContact O-N 3Å; S114-Y116 PolarHBondContact OG-N 2.77Å; S114-G117 PolarHBondContact N-O 3.4Å; S114-G117 PolarHBondContact O-N 2.97Å
115K93.6Very high96.1Very high72 Ų7249.3 Ų49.331%0.31325%0.248SC..THydrogen-bonded Turntrans-53-17.2169.474.6-172.1-169.9-171.60115.1E57E57-K115 WeakPolarHBondContact OE1-CE 3.25Å; E57-K115 IonicContact OE1-NZ 2.62Å; E57-K115 PolarHBondContact OE1-NZ 2.86Å
116Y94.9Very high96Very high162 Ų16251.6 Ų51.664%0.63526%0.255SS*.THydrogen-bonded Turntrans-88.9-14.6176.5-59.8-72.8000113.6S114 L134S114-Y116 PolarHBondContact O-N 3Å; S114-Y116 PolarHBondContact OG-N 2.77Å; Y116-L134 PolarHBondContact O-N 2.86Å
117G96.4Very high96.1Very high4 Ų449.7 Ų49.74%0.04125%0.249CC..EExtended strand (participates in β ladder)trans119.3-151.4-172.800000112.3S114 H132S114-G117 PolarHBondContact N-O 3.4Å; S114-G117 PolarHBondContact O-N 2.97Å; G117-H132 WeakPolarHBondContact CA-O 3.45Å
118V98.1Very high96.2Very high6 Ų645.8 Ų45.84%0.03624%0.235CC..EExtended strand (participates in β ladder)trans-109.3129-177.4-177.60000111L111 G112 V113 V120 H132 I137 L186L111-V118 HydrophobicContact CD1-CG1 4.32Å; L111-V118 HydrophobicContact CD2-CG1 3.76Å; L111-V118 HydrophobicContact CG-CG1 3.75Å; G112-V118 CarbonylContact O-C 3.49Å; G112-V118 WeakPolarHBondContact O-CA 3.15Å; V113-V118 HydrophobicContact CG1-CG2 4.48Å; V113-V118 HydrophobicContact CG2-CG2 4.41Å; V118-V120 HydrophobicContact CG1-CG2 4.3Å; V118-H132 HydrophobicContact CB-CB 4.28Å; V118-H132 PolarHBondContact N-O 3.39Å; V118-H132 PolarHBondContact O-N 3.16Å; V118-I137 HydrophobicContact CG2-CD1 3.93Å; V118-L186 HydrophobicContact CG2-CD1 4.21Å
119K97.9Very high96.1Very high45 Ų4546.5 Ų46.520%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-104.4133.8170.4178.2-164.268171.90108.2E61 L111 G112 V128E61-K119 WeakPolarHBondContact OE1-CE 3.42Å; E61-K119 IonicContact OE1-NZ 2.59Å; E61-K119 PolarHBondContact OE1-NZ 3.03Å; L111-K119 CarbonylContact C-O 3.54Å; L111-K119 WeakPolarHBondContact CA-O 3.38Å; G112-K119 PolarHBondContact N-O 2.75Å; G112-K119 PolarHBondContact O-N 2.77Å; K119-V128 HydrophobicContact CG-CG1 4.03Å
120V97.9Very high96Very high0 Ų047.9 Ų47.90%025%0.247CC..EExtended strand (participates in β ladder)trans-121.2126.3167.2-1710000109.3M109 V110 L111 V118 L129 H130 Y171M109-V120 HydrophobicContact CB-CG1 4.15Å; M109-V120 HydrophobicContact CE-CG1 3.78Å; M109-V120 HydrophobicContact SD-CG1 3.99Å; V110-V120 WeakPolarHBondContact O-CA 3.47Å; L111-V120 HydrophobicContact CG-CG2 4.28Å; V118-V120 HydrophobicContact CG1-CG2 4.3Å; V120-L129 PolarHBondContact O-N 2.86Å; V120-H130 HydrophobicContact CB-CB 4.14Å; V120-H130 HydrophobicContact CG2-CB 4.39Å; V120-H130 PolarHBondContact N-O 2.87Å; V120-H130 PolarHBondContact O-N 3.47Å; V120-H130 VanDerWaalsContact O-N 3.14Å; V120-Y171 HydrophobicContact CG1-CE1 4.24Å; V120-Y171 HydrophobicContact CG2-CE1 3.99Å
121A97.7Very high96Very high0 Ų055.9 Ų55.90%028%0.276CS..EExtended strand (participates in β ladder)trans-137164.8-176.200000112V110 D127 V128V110-A121 PolarHBondContact N-O 3.21Å; V110-A121 PolarHBondContact O-N 3.07Å; A121-D127 CarbonylContact C-O 3.52Å; A121-D127 WeakPolarHBondContact CA-O 3.33Å; A121-D127 WeakPolarHBondContact CB-O 3.44Å; A121-V128 HydrophobicContact CB-CG2 4.22Å
122S96.8Very high96Very high13 Ų1356.3 Ų56.39%0.09128%0.278CS..  trans-58.8163.116856.70000112.1D124 Q125 C126 D127S122-D124 VanDerWaalsContact C-N 3.3Å; S122-D124 VanDerWaalsContact CB-OD1 3.29Å; S122-D124 WeakPolarHBondContact CB-OD1 3.48Å; S122-D124 PolarHBondContact O-N 2.91Å; S122-D124 PolarHBondContact OG-OD1 3.08Å; S122-Q125 WeakPolarHBondContact O-CA 3.24Å; S122-Q125 PolarHBondContact O-N 2.88Å; S122-C126 PolarHBondContact OG-N 2.98Å; S122-D127 PolarHBondContact N-O 2.77Å; S122-D127 PolarHBondContact OG-N 2.99Å; S122-D127 PolarHBondContact OG-O 3.33Å
123M96.2Very high96Very high76 Ų7658.2 Ų58.237%0.37429%0.29SS..THydrogen-bonded Turntrans-68.9-22.1-178.3-80.9-65-61.300115.1R63 E108 V110 Q125R63-M123 HydrophobicContact CG-CE 4.31Å; R63-M123 HydrophobicContact CG-SD 4.28Å; E108-M123 HydrophobicContact CB-CG 4.02Å; E108-M123 HydrophobicContact CB-SD 3.99Å; E108-M123 WeakPolarHBondContact O-CG 3.22Å; V110-M123 HydrophobicContact CG2-SD 3.81Å; M123-Q125 VanDerWaalsContact C-N 3.32Å
124D94.5Very high95.9Very high109 Ų10959 Ų5958%0.58329%0.294SS*.THydrogen-bonded Turntrans-85-6.1168.957.114.6000113.2S122 C126S122-D124 VanDerWaalsContact C-N 3.3Å; S122-D124 VanDerWaalsContact CB-OD1 3.29Å; S122-D124 WeakPolarHBondContact CB-OD1 3.48Å; S122-D124 PolarHBondContact O-N 2.91Å; S122-D124 PolarHBondContact OG-OD1 3.08Å; D124-C126 PolarHBondContact O-N 2.84Å; D124-C126 WeakPolarHBondContact OD1-CB 3.41Å; D124-C126 PolarHBondContact OD1-N 3.39Å
125Q90.6Very high95.9Very high82 Ų8266.3 Ų66.338%0.38332%0.319SS..SBendtrans57.316.9-171.5-49.4-156.731.800115.4E61 V110 S122 M123E61-Q125 PolarHBondContact OE2-NE2 2.9Å; V110-Q125 HydrophobicContact CG2-CG 4.27Å; S122-Q125 WeakPolarHBondContact O-CA 3.24Å; S122-Q125 PolarHBondContact O-N 2.88Å; M123-Q125 VanDerWaalsContact C-N 3.32Å
126C91.9Very high96Very high97 Ų9764.2 Ų64.266%0.65531%0.312SS*.SBendtrans-71.3-43.2175.7-68.60000112.1S122 D124S122-C126 PolarHBondContact OG-N 2.98Å; D124-C126 PolarHBondContact O-N 2.84Å; D124-C126 WeakPolarHBondContact OD1-CB 3.41Å; D124-C126 PolarHBondContact OD1-N 3.39Å
127D95.2Very high96Very high113 Ų11357.1 Ų57.160%0.60428%0.284SS*.  trans-105.8127.3-179.4-74.1-44.5000111.4A121 S122A121-D127 CarbonylContact C-O 3.52Å; A121-D127 WeakPolarHBondContact CA-O 3.33Å; A121-D127 WeakPolarHBondContact CB-O 3.44Å; S122-D127 PolarHBondContact N-O 2.77Å; S122-D127 PolarHBondContact OG-N 2.99Å; S122-D127 PolarHBondContact OG-O 3.33Å
128V96.8Very high95.8Very high61 Ų6161 Ų6137%0.3730%0.303SS..EExtended strand (participates in β ladder)trans-105.199.3175.3-176.90000109.1K119 A121 R131K119-V128 HydrophobicContact CG-CG1 4.03Å; A121-V128 HydrophobicContact CB-CG2 4.22Å; V128-R131 HydrophobicContact CG1-CG 3.88Å
129L95.5Very high95.7Very high90 Ų9064.7 Ų64.747%0.47132%0.316SS..EExtended strand (participates in β ladder)trans-72.2-41.1-176.1-64.282.6000112.1M109 V120M109-L129 HydrophobicContact CE-CB 4.36Å; M109-L129 HydrophobicContact CE-CD1 3.42Å; M109-L129 VanDerWaalsContact CE-CD1 3.42Å; M109-L129 HydrophobicContact CE-CD2 3.56Å; M109-L129 HydrophobicContact CE-CG 3.95Å; V120-L129 PolarHBondContact O-N 2.86Å
130H96.3Very high95.6Very high36 Ų3663.7 Ų63.717%0.16731%0.312CS..EExtended strand (participates in β ladder)trans-137.3144.9-176.5-52.5-55.5000113.1Y66 V120 W169Y66-H130 AromaticContact CZ-NE2 3.96Å; V120-H130 HydrophobicContact CB-CB 4.14Å; V120-H130 HydrophobicContact CG2-CB 4.39Å; V120-H130 PolarHBondContact N-O 2.87Å; V120-H130 PolarHBondContact O-N 3.47Å; V120-H130 VanDerWaalsContact O-N 3.14Å; H130-W169 AromaticContact CE1-CZ3 3.51Å; H130-W169 AromaticContact ND1-CZ3 3.74Å; H130-W169 AromaticContact NE2-CZ3 4Å
131R97.3Very high95.5Very high180 Ų18065 Ų6568%0.67932%0.319SS*.EExtended strand (participates in β ladder)trans-133.7117.7166.6-67.3178.7179.1-97.6-0.1107.3V128 P133V128-R131 HydrophobicContact CG1-CG 3.88Å; R131-P133 WeakPolarHBondContact O-CD 3.46Å
132H97.6Very high95.4Very high12 Ų1267.4 Ų67.46%0.05634%0.335CS..EExtended strand (participates in β ladder)trans-109.995.1179-54.1-52.6000107.8G117 V118 I137 L156 T158 W169 Y171G117-H132 WeakPolarHBondContact CA-O 3.45Å; V118-H132 HydrophobicContact CB-CB 4.28Å; V118-H132 PolarHBondContact N-O 3.39Å; V118-H132 PolarHBondContact O-N 3.16Å; H132-I137 HydrophobicContact CB-CD1 4.3Å; H132-I137 HydrophobicContact CB-CG1 4.26Å; H132-L156 HydrophobicContact CB-CD2 4.04Å; H132-L156 WeakPolarHBondContact CD2-CD2 3.15Å; H132-T158 HydrophobicContact CB-CG2 4.18Å; H132-W169 AromaticContact CE1-CD1 3.72Å; H132-W169 AromaticContact CE1-CD2 3.48Å; H132-W169 VanDerWaalsContact CE1-CD2 3.48Å; H132-W169 AromaticContact CE1-CE2 3.36Å; H132-W169 AromaticContact CE1-CG 3.76Å; H132-W169 AromaticContact CE1-CZ2 3.88Å; H132-W169 AromaticContact CE1-NE1 3.47Å; H132-W169 PolarHBondContact CE1-NE1 2.83Å; H132-W169 AromaticContact ND1-NE1 3.85Å; H132-W169 AromaticContact NE2-CD2 3.92Å; H132-W169 AromaticContact NE2-CG 3.86Å; H132-Y171 PolarHBondContact NE2-OH 3.46Å; H132-Y171 VanDerWaalsContact NE2-OH 3.15Å
133P96.9Very high95.4Very high44 Ų4468 Ų6829%0.28634%0.335SS..EExtended strand (participates in β ladder)trans-60141.7-178.3-22.233.7000111.2R131 Y135 L136 I137R131-P133 WeakPolarHBondContact O-CD 3.46Å; P133-Y135 HydrophobicContact CB-CD1 3.66Å; P133-Y135 HydrophobicContact CB-CE1 3.42Å; P133-Y135 VanDerWaalsContact CB-CE1 3.42Å; P133-Y135 HydrophobicContact CG-CE1 4.16Å; P133-Y135 PolarHBondContact O-N 2.85Å; P133-Y135 VanDerWaalsContact O-N 3.09Å; P133-L136 HydrophobicContact CG-CD1 4.16Å; P133-L136 PolarHBondContact O-N 3.39Å; P133-I137 PolarHBondContact O-N 3.36Å
134L95.9Very high95.4Very high15 Ų1568 Ų688%0.07934%0.337CS..G310 helixtrans-53.9-38.1-173.9-167.966.5000113Y116 L136 I137 L186 F190 V193Y116-L134 PolarHBondContact O-N 2.86Å; L134-L136 VanDerWaalsContact C-N 3.27Å; L134-L136 PolarHBondContact O-N 3.45Å; L134-I137 PolarHBondContact O-N 3.17Å; L134-L186 HydrophobicContact CD1-CD1 3.63Å; L134-F190 HydrophobicContact CD1-CD1 3.82Å; L134-F190 HydrophobicContact CD1-CD2 4.24Å; L134-F190 HydrophobicContact CD1-CE1 3.58Å; L134-F190 HydrophobicContact CD1-CE2 4.03Å; L134-F190 HydrophobicContact CD1-CG 4.15Å; L134-F190 HydrophobicContact CD1-CZ 3.7Å; L134-F190 HydrophobicContact CD2-CD1 4.1Å; L134-F190 HydrophobicContact CD2-CE1 4.44Å; L134-F190 HydrophobicContact CG-CD1 3.79Å; L134-F190 HydrophobicContact CG-CE1 3.63Å; L134-F190 HydrophobicContact CG-CZ 4.25Å; L134-F190 WeakPolarHBondContact O-CE1 3.14Å; L134-V193 HydrophobicContact CD2-CB 4.45Å; L134-V193 HydrophobicContact CD2-CG2 3.84Å
135Y95Very high95.3Very high175 Ų17564 Ų6469%0.68632%0.315SS*.G310 helixtrans-72.2-11.3179.877.9-88000115.1P133P133-Y135 HydrophobicContact CB-CD1 3.66Å; P133-Y135 HydrophobicContact CB-CE1 3.42Å; P133-Y135 VanDerWaalsContact CB-CE1 3.42Å; P133-Y135 HydrophobicContact CG-CE1 4.16Å; P133-Y135 PolarHBondContact O-N 2.85Å; P133-Y135 VanDerWaalsContact O-N 3.09Å
136L95.8Very high95.4Very high29 Ų2963.1 Ų63.115%0.15233%0.329CS..G310 helixtrans-101.8-7.5175.7-66.4-175.2000113P133 L134 M138 T158 T159P133-L136 HydrophobicContact CG-CD1 4.16Å; P133-L136 PolarHBondContact O-N 3.39Å; L134-L136 VanDerWaalsContact C-N 3.27Å; L134-L136 PolarHBondContact O-N 3.45Å; L136-M138 PolarHBondContact O-N 2.84Å; L136-T158 CarbonylContact O-C 3.54Å; L136-T158 WeakPolarHBondContact O-CA 3.43Å; L136-T159 PolarHBondContact O-N 3.45Å
137I95.8Very high95.4Very high12 Ų1262.6 Ų62.66%0.06232%0.319CS..EExtended strand (participates in β ladder)trans-80.3113.2176.4-63.9170.8000108.6V118 H132 P133 L134 L156 T158 L186 F190V118-I137 HydrophobicContact CG2-CD1 3.93Å; H132-I137 HydrophobicContact CB-CD1 4.3Å; H132-I137 HydrophobicContact CB-CG1 4.26Å; P133-I137 PolarHBondContact O-N 3.36Å; L134-I137 PolarHBondContact O-N 3.17Å; I137-L156 HydrophobicContact CB-CD1 4.47Å; I137-L156 HydrophobicContact CD1-CD1 4.17Å; I137-L156 HydrophobicContact CG1-CD1 4.12Å; I137-L156 HydrophobicContact CG2-CD1 3.57Å; I137-T158 HydrophobicContact CG1-CG2 4.28Å; I137-L186 HydrophobicContact CD1-CD1 4.13Å; I137-L186 HydrophobicContact CG2-CD2 4.26Å; I137-F190 HydrophobicContact CB-CZ 4.14Å; I137-F190 HydrophobicContact CG2-CZ 4.1Å
138M93.3Very high95.1Very high86 Ų8660.8 Ų60.842%0.42433%0.328SS..EExtended strand (participates in β ladder)trans-79-39.8175.8-54.5-175.185.800111.8L136 K157 T159 C166L136-M138 PolarHBondContact O-N 2.84Å; M138-K157 HydrophobicContact CB-CD 4.39Å; M138-K157 HydrophobicContact CB-CG 4.36Å; M138-K157 WeakPolarHBondContact CB-O 3.24Å; M138-K157 PolarHBondContact N-O 3.37Å; M138-K157 HydrophobicContact SD-CD 4.06Å; M138-K157 HydrophobicContact SD-CG 4.13Å; M138-T159 HydrophobicContact CG-CG2 3.94Å; M138-T159 HydrophobicContact SD-CG2 4.36Å; M138-C166 HydrophobicContact SD-CB 4.33Å
139R94.3Very high94.7Very high83 Ų8361 Ų6131%0.31334%0.336SS..EExtended strand (participates in β ladder)trans-163.9152.5-179.2-174.1173.6-68.5164.7-0.2110.5Q82 L141 K157Q82-R139 PolarHBondContact O-NH1 2.84Å; Q82-R139 PolarHBondContact O-NH2 2.74Å; R139-L141 HydrophobicContact CG-CD2 4.23Å; R139-L141 HydrophobicContact CG-CG 4.23Å; R139-K157 PolarHBondContact N-O 2.85Å; R139-K157 PolarHBondContact O-N 3.17Å
140M96.7Very high94.3Very high25 Ų2558.6 Ų58.612%0.12333%0.333CS..EExtended strand (participates in β ladder)trans-123.1140.9159-164.8166.168.100109.2L154 A155 L156 I182 C183 L186M140-L154 HydrophobicContact CE-CD1 4.14Å; M140-L154 HydrophobicContact CG-CD1 3.81Å; M140-L154 HydrophobicContact CG-CG 4.03Å; M140-L154 HydrophobicContact SD-CD1 3.86Å; M140-L154 HydrophobicContact SD-CD2 3.88Å; M140-L154 HydrophobicContact SD-CG 3.98Å; M140-A155 CarbonylContact C-O 3.51Å; M140-A155 WeakPolarHBondContact CA-O 3.39Å; M140-L156 HydrophobicContact CB-CD1 3.86Å; M140-L156 HydrophobicContact CG-CB 4.49Å; M140-L156 HydrophobicContact CG-CD1 3.94Å; M140-L156 HydrophobicContact SD-CD1 3.96Å; M140-I182 HydrophobicContact CE-CG2 3.63Å; M140-I182 HydrophobicContact SD-CG2 4.12Å; M140-C183 HydrophobicContact CE-CB 4.32Å; M140-L186 HydrophobicContact CB-CD2 3.72Å; M140-L186 HydrophobicContact CE-CB 3.69Å; M140-L186 HydrophobicContact CE-CD2 3.49Å; M140-L186 VanDerWaalsContact CE-CD2 3.49Å; M140-L186 HydrophobicContact CE-CG 4.22Å; M140-L186 HydrophobicContact CG-CD2 4.43Å; M140-L186 HydrophobicContact SD-CD2 3.84Å
141L95.9Very high94.1Very high28 Ų2860.5 Ų60.515%0.14734%0.341CS..EExtended strand (participates in β ladder)trans-124.6147.2175.1-67.7178.9000109.9P84 L87 I88 R139 L154 A155P84-L141 HydrophobicContact CB-CD1 4.04Å; P84-L141 HydrophobicContact CB-CD2 3.96Å; P84-L141 HydrophobicContact CG-CD2 4.41Å; L87-L141 HydrophobicContact CB-CD1 4.09Å; L87-L141 HydrophobicContact CD2-CD1 3.82Å; L87-L141 HydrophobicContact CD2-CG 4.43Å; L87-L141 HydrophobicContact CG-CD1 4.2Å; I88-L141 HydrophobicContact CG1-CD1 4.44Å; R139-L141 HydrophobicContact CG-CD2 4.23Å; R139-L141 HydrophobicContact CG-CG 4.23Å; L141-L154 CarbonylContact O-C 3.54Å; L141-L154 WeakPolarHBondContact O-CA 3.3Å; L141-A155 HydrophobicContact CB-CB 4.46Å; L141-A155 PolarHBondContact N-O 3.09Å; L141-A155 PolarHBondContact O-N 3.45Å
142C96.1Very high94.1Very high49 Ų4952.8 Ų52.833%0.33131%0.313SS..EExtended strand (participates in β ladder)trans-120.6130.7165.156.10000109.7L153 L154 A179 C183C142-L153 VanDerWaalsContact CA-O 3.3Å; C142-L153 WeakPolarHBondContact CA-O 3.41Å; C142-L154 HydrophobicContact CB-CD1 4.27Å; C142-A179 HydrophobicContact CB-CB 3.74Å; C142-C183 VanDerWaalsContact SG-SG 3.66Å
143Y96.4Very high94.1Very high25 Ų2552.3 Ų52.310%0.09831%0.311CS..EExtended strand (participates in β ladder)trans-148.4160.5178.770.7-75.9000111.7I88 I91 D92 N152 L153 A155I88-Y143 HydrophobicContact CB-CE2 4.36Å; I88-Y143 HydrophobicContact CD1-CD1 4.3Å; I88-Y143 HydrophobicContact CD1-CD2 4.2Å; I88-Y143 HydrophobicContact CD1-CG 3.96Å; I88-Y143 HydrophobicContact CG1-CD1 3.92Å; I88-Y143 HydrophobicContact CG1-CD2 4.05Å; I88-Y143 HydrophobicContact CG1-CE1 3.98Å; I88-Y143 HydrophobicContact CG1-CE2 4.11Å; I88-Y143 HydrophobicContact CG1-CG 3.94Å; I88-Y143 HydrophobicContact CG2-CD2 3.94Å; I88-Y143 HydrophobicContact CG2-CE2 3.62Å; I91-Y143 HydrophobicContact CD1-CE1 4.47Å; I91-Y143 VanDerWaalsContact CG2-OH 3.29Å; I91-Y143 WeakPolarHBondContact CG2-OH 3.12Å; D92-Y143 PolarHBondContact OD1-OH 2.76Å; Y143-N152 CarbonylContact O-C 3.58Å; Y143-N152 VanDerWaalsContact O-CA 3.23Å; Y143-N152 WeakPolarHBondContact O-CA 3.42Å; Y143-L153 HydrophobicContact CD1-CB 4.16Å; Y143-L153 HydrophobicContact CE1-CB 3.84Å; Y143-L153 HydrophobicContact CE1-CD1 4.46Å; Y143-L153 HydrophobicContact CE2-CD1 4.29Å; Y143-L153 PolarHBondContact N-O 2.96Å; Y143-L153 PolarHBondContact O-N 3.25Å; Y143-A155 HydrophobicContact CE1-CB 4.31Å
144D95.6Very high94.1Very high78 Ų7850.3 Ų50.342%0.41730%0.297SS..EExtended strand (participates in β ladder)trans-76.9141.2174.9-168.6-87.6000110.4G146 G150 K151D144-G146 PolarHBondContact O-N 2.77Å; D144-G146 PolarHBondContact OD1-N 3.26Å; D144-G150 WeakPolarHBondContact OD2-CA 3.38Å; D144-K151 CarbonylContact C-O 3.58Å; D144-K151 WeakPolarHBondContact CA-O 3.38Å
145D92.8Very high94.2Very high23 Ų2349.6 Ų49.612%0.12329%0.294CS..  trans-68.2-14-17675.3-4.9000114.2L147 K151 L153D145-L147 HydrophobicContact CB-CD1 4.49Å; D145-L147 HydrophobicContact CB-CG 4.18Å; D145-L147 PolarHBondContact O-N 3.42Å; D145-L147 VanDerWaalsContact O-N 3.11Å; D145-L147 PolarHBondContact OD1-N 3.16Å; D145-K151 PolarHBondContact N-O 3.4Å; D145-K151 WeakPolarHBondContact OD2-CB 3.47Å; D145-L153 HydrophobicContact CB-CD1 4.24Å; D145-L153 HydrophobicContact CB-CG 4.13Å
146G92.1Very high94.3Very high65 Ų6541.3 Ų41.367%0.6726%0.261SS*.SBendtrans69.51.1-178.600000114.3D144 G148D144-G146 PolarHBondContact O-N 2.77Å; D144-G146 PolarHBondContact OD1-N 3.26Å; G146-G148 PolarHBondContact O-N 3.09Å
147L91.3Very high94.4Very high85 Ų8540.3 Ų40.345%0.44526%0.256SS..SBendtrans-83.21.8-179.2-53.4-176.7000112.3F102 D145 A149F102-L147 HydrophobicContact CB-CD1 4.16Å; F102-L147 HydrophobicContact CD1-CD1 4.39Å; F102-L147 HydrophobicContact CD1-CD2 4.15Å; D145-L147 HydrophobicContact CB-CD1 4.49Å; D145-L147 HydrophobicContact CB-CG 4.18Å; D145-L147 PolarHBondContact O-N 3.42Å; D145-L147 VanDerWaalsContact O-N 3.11Å; D145-L147 PolarHBondContact OD1-N 3.16Å; L147-A149 PolarHBondContact O-N 2.99Å
148G89.3Confident94.3Very high76 Ų7640.2 Ų40.278%0.78426%0.256SS*.SBendtrans79-1.3178.200000114.6G146 G150G146-G148 PolarHBondContact O-N 3.09Å; G148-G150 VanDerWaalsContact C-N 3.32Å
149A88.7Confident94.4Very high66 Ų6636.8 Ų36.855%0.54524%0.239SC..SBendtrans-84.9-4.5175.300000113.4L147 K151L147-A149 PolarHBondContact O-N 2.99Å; A149-K151 HydrophobicContact CB-CG 4.06Å; A149-K151 PolarHBondContact O-N 3.48Å
150G86.5Confident94.3Very high39 Ų3935 Ų3540%0.40224%0.236SC..  trans64.826-178.400000113.3D144 G148 N152D144-G150 WeakPolarHBondContact OD2-CA 3.38Å; G148-G150 VanDerWaalsContact C-N 3.32Å; G150-N152 PolarHBondContact O-ND2 2.97Å
151K93.5Very high93.9Very high76 Ų7637.8 Ų37.833%0.3326%0.263SS..  trans-82.8141.9178.3-58.5-51.9-175.9-170.70109.4D144 D145 A149 Q172D144-K151 CarbonylContact C-O 3.58Å; D144-K151 WeakPolarHBondContact CA-O 3.38Å; D145-K151 PolarHBondContact N-O 3.4Å; D145-K151 WeakPolarHBondContact OD2-CB 3.47Å; A149-K151 HydrophobicContact CB-CG 4.06Å; A149-K151 PolarHBondContact O-N 3.48Å; K151-Q172 HydrophobicContact CB-CG 4.07Å
152N96.4Very high93.6Very high17 Ų1743.6 Ų43.69%0.09129%0.288CS..EExtended strand (participates in β ladder)trans-109.1118.7-176.1-85.4-123.2000108.8Y143 G150 C173 A176 A179Y143-N152 CarbonylContact O-C 3.58Å; Y143-N152 VanDerWaalsContact O-CA 3.23Å; Y143-N152 WeakPolarHBondContact O-CA 3.42Å; G150-N152 PolarHBondContact O-ND2 2.97Å; N152-C173 HydrophobicContact CB-CB 4.44Å; N152-C173 WeakPolarHBondContact O-CB 3.32Å; N152-C173 PolarHBondContact O-N 3.05Å; N152-A176 WeakPolarHBondContact OD1-CA 3.39Å; N152-A176 WeakPolarHBondContact OD1-CB 3.32Å; N152-A179 HydrophobicContact CB-CB 4.01Å
153L97.4Very high92.9Very high3 Ų347.5 Ų47.52%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-84.7138.8174.4-62.6-177.6000110V67 C142 Y143 D145 V170 Y171 Q172V67-L153 HydrophobicContact CG2-CD2 4.05Å; C142-L153 VanDerWaalsContact CA-O 3.3Å; C142-L153 WeakPolarHBondContact CA-O 3.41Å; Y143-L153 HydrophobicContact CD1-CB 4.16Å; Y143-L153 HydrophobicContact CE1-CB 3.84Å; Y143-L153 HydrophobicContact CE1-CD1 4.46Å; Y143-L153 HydrophobicContact CE2-CD1 4.29Å; Y143-L153 PolarHBondContact N-O 2.96Å; Y143-L153 PolarHBondContact O-N 3.25Å; D145-L153 HydrophobicContact CB-CD1 4.24Å; D145-L153 HydrophobicContact CB-CG 4.13Å; L153-V170 HydrophobicContact CB-CG1 4.46Å; L153-V170 HydrophobicContact CD1-CG1 4.47Å; L153-V170 HydrophobicContact CD2-CG1 4.3Å; L153-Y171 CarbonylContact C-O 3.56Å; L153-Y171 WeakPolarHBondContact CA-O 3.4Å; L153-Q172 HydrophobicContact CD2-CB 4.16Å; L153-Q172 HydrophobicContact CD2-CG 4.25Å
154L97.9Very high92.4Very high1 Ų151.7 Ų51.71%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-112.6105.7174.2-172.580.7000108L111 M140 L141 C142 Y171 I182L111-L154 HydrophobicContact CD1-CD2 3.9Å; M140-L154 HydrophobicContact CE-CD1 4.14Å; M140-L154 HydrophobicContact CG-CD1 3.81Å; M140-L154 HydrophobicContact CG-CG 4.03Å; M140-L154 HydrophobicContact SD-CD1 3.86Å; M140-L154 HydrophobicContact SD-CD2 3.88Å; M140-L154 HydrophobicContact SD-CG 3.98Å; L141-L154 CarbonylContact O-C 3.54Å; L141-L154 WeakPolarHBondContact O-CA 3.3Å; C142-L154 HydrophobicContact CB-CD1 4.27Å; L154-Y171 HydrophobicContact CD2-CD2 4.41Å; L154-Y171 PolarHBondContact N-O 3.46Å; L154-Y171 PolarHBondContact O-N 2.83Å; L154-I182 HydrophobicContact CD1-CG2 4.13Å; L154-I182 HydrophobicContact CD2-CD1 4.37Å; L154-I182 HydrophobicContact CD2-CG2 3.63Å
155A97.8Very high92.2Very high0 Ų051 Ų510%032%0.317CS..EExtended strand (participates in β ladder)trans-100113.5-179.900000110.3I91 M140 L141 Y143I91-A155 HydrophobicContact CD1-CB 3.45Å; I91-A155 VanDerWaalsContact CD1-CB 3.45Å; M140-A155 CarbonylContact C-O 3.51Å; M140-A155 WeakPolarHBondContact CA-O 3.39Å; L141-A155 HydrophobicContact CB-CB 4.46Å; L141-A155 PolarHBondContact N-O 3.09Å; L141-A155 PolarHBondContact O-N 3.45Å; Y143-A155 HydrophobicContact CE1-CB 4.31Å
156L97.8Very high92.2Very high2 Ų249.9 Ų49.91%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-103.4116.9177.8-176.670000109.6H132 I137 M140 T158 I168 W169 Y171H132-L156 HydrophobicContact CB-CD2 4.04Å; H132-L156 WeakPolarHBondContact CD2-CD2 3.15Å; I137-L156 HydrophobicContact CB-CD1 4.47Å; I137-L156 HydrophobicContact CD1-CD1 4.17Å; I137-L156 HydrophobicContact CG1-CD1 4.12Å; I137-L156 HydrophobicContact CG2-CD1 3.57Å; M140-L156 HydrophobicContact CB-CD1 3.86Å; M140-L156 HydrophobicContact CG-CB 4.49Å; M140-L156 HydrophobicContact CG-CD1 3.94Å; M140-L156 HydrophobicContact SD-CD1 3.96Å; L156-T158 HydrophobicContact CD2-CG2 4.25Å; L156-T158 HydrophobicContact CG-CG2 4.17Å; L156-I168 WeakPolarHBondContact O-CA 3.29Å; L156-W169 HydrophobicContact CB-CB 4.36Å; L156-W169 PolarHBondContact N-O 3.34Å; L156-W169 PolarHBondContact O-N 3.39Å; L156-Y171 HydrophobicContact CB-CE2 4.49Å
157K96Very high92.3Very high7 Ų747.6 Ų47.63%0.0329%0.286CS..EExtended strand (participates in β ladder)trans-98.2115.6175-172.3-174.6-178.3-171.40109.5S78 L81 L87 M138 R139 S167S78-K157 PolarHBondContact O-NZ 2.62Å; L81-K157 PolarHBondContact O-NZ 3.38Å; L87-K157 HydrophobicContact CD2-CB 4.11Å; L87-K157 HydrophobicContact CD2-CD 4.44Å; M138-K157 HydrophobicContact CB-CD 4.39Å; M138-K157 HydrophobicContact CB-CG 4.36Å; M138-K157 WeakPolarHBondContact CB-O 3.24Å; M138-K157 PolarHBondContact N-O 3.37Å; M138-K157 HydrophobicContact SD-CD 4.06Å; M138-K157 HydrophobicContact SD-CG 4.13Å; R139-K157 PolarHBondContact N-O 2.85Å; R139-K157 PolarHBondContact O-N 3.17Å; K157-S167 WeakPolarHBondContact CA-O 3.31Å
158T95.5Very high92.6Very high11 Ų1143.6 Ų43.67%0.06726%0.264CS..EExtended strand (participates in β ladder)trans-110.7161175.161.60000111.3H132 L136 I137 L156 C166 S167 W169H132-T158 HydrophobicContact CB-CG2 4.18Å; L136-T158 CarbonylContact O-C 3.54Å; L136-T158 WeakPolarHBondContact O-CA 3.43Å; I137-T158 HydrophobicContact CG1-CG2 4.28Å; L156-T158 HydrophobicContact CD2-CG2 4.25Å; L156-T158 HydrophobicContact CG-CG2 4.17Å; T158-C166 CarbonylContact O-C 3.57Å; T158-C166 WeakPolarHBondContact O-CA 3.41Å; T158-C166 VanDerWaalsContact O-CB 3.26Å; T158-C166 WeakPolarHBondContact O-CB 3.36Å; T158-S167 PolarHBondContact N-O 2.88Å; T158-S167 PolarHBondContact O-N 2.86Å; T158-W169 PolarHBondContact OG1-NE1 3.47Å
159T94.1Very high93Very high13 Ų1341 Ų418%0.0823%0.231CC..EExtended strand (participates in β ladder)trans-124.8166.8169.2-168.30000111L136 M138 Q163 D165L136-T159 PolarHBondContact O-N 3.45Å; M138-T159 HydrophobicContact CG-CG2 3.94Å; M138-T159 HydrophobicContact SD-CG2 4.36Å; T159-Q163 HydrophobicContact CG2-CG 4.15Å; T159-D165 VanDerWaalsContact CA-O 3.32Å; T159-D165 WeakPolarHBondContact CA-O 3.33Å; T159-D165 WeakPolarHBondContact CB-O 3.3Å; T159-D165 PolarHBondContact OG1-O 3.41Å
160D92Very high93.5Very high46 Ų4637.9 Ų37.925%0.24621%0.205CC..  trans-83.4171.4174.288.7-70.9000112.1K162 Q163 Q164 D165D160-K162 PolarHBondContact O-N 2.98Å; D160-K162 VanDerWaalsContact O-N 3.13Å; D160-K162 VanDerWaalsContact OD2-CB 3.27Å; D160-K162 WeakPolarHBondContact OD2-CB 3.3Å; D160-K162 PolarHBondContact OD2-N 2.96Å; D160-Q163 PolarHBondContact O-N 2.78Å; D160-Q163 VanDerWaalsContact O-N 3.07Å; D160-Q163 PolarHBondContact OD1-N 2.94Å; D160-Q164 PolarHBondContact OD1-N 3.35Å; D160-D165 PolarHBondContact N-O 2.85Å; D160-D165 PolarHBondContact OD1-N 3.19Å
161A89.7Confident94Very high84 Ų8436.1 Ų36.169%0.69419%0.186SC*.THydrogen-bonded Turntrans-64.9-14.9-17800000114.8
162K88.1Confident94.2Very high150 Ų15033.6 Ų33.665%0.65218%0.176SC*.THydrogen-bonded Turntrans-99-7.5175-55.2174.7-175.2169.10113.6D160 Q164D160-K162 PolarHBondContact O-N 2.98Å; D160-K162 VanDerWaalsContact O-N 3.13Å; D160-K162 VanDerWaalsContact OD2-CB 3.27Å; D160-K162 WeakPolarHBondContact OD2-CB 3.3Å; D160-K162 PolarHBondContact OD2-N 2.96Å; K162-Q164 VanDerWaalsContact C-N 3.32Å; K162-Q164 HydrophobicContact CB-CB 4.34Å; K162-Q164 HydrophobicContact CB-CG 3.82Å; K162-Q164 PolarHBondContact O-N 2.78Å
163Q83Confident94.3Very high130 Ų13032.9 Ų32.961%0.60717%0.172SC*.SBendtrans55.445.2-171.6-55.6-178.6-14.900112.5F75 T159 D160F75-Q163 WeakPolarHBondContact CD2-O 3.36Å; F75-Q163 VanDerWaalsContact CE2-O 3.27Å; F75-Q163 WeakPolarHBondContact CE2-O 3.49Å; T159-Q163 HydrophobicContact CG2-CG 4.15Å; D160-Q163 PolarHBondContact O-N 2.78Å; D160-Q163 VanDerWaalsContact O-N 3.07Å; D160-Q163 PolarHBondContact OD1-N 2.94Å
164Q85.9Confident94.1Very high113 Ų11336.2 Ų36.253%0.52820%0.195SC..SBendtrans-112.3-26.7179-69.2-176.5-2200112.8F75 D160 K162F75-Q164 WeakPolarHBondContact CA-O 3.42Å; F75-Q164 VanDerWaalsContact CB-O 3.29Å; F75-Q164 WeakPolarHBondContact CB-O 3.33Å; F75-Q164 PolarHBondContact N-O 2.99Å; D160-Q164 PolarHBondContact OD1-N 3.35Å; K162-Q164 VanDerWaalsContact C-N 3.32Å; K162-Q164 HydrophobicContact CB-CB 4.34Å; K162-Q164 HydrophobicContact CB-CG 3.82Å; K162-Q164 PolarHBondContact O-N 2.78Å
165D90.8Very high93.9Very high63 Ų6337.9 Ų37.934%0.33721%0.207SC..EExtended strand (participates in β ladder)trans-124154.1173.5-69.7-44.7000110.8L73 T159 D160L73-D165 WeakPolarHBondContact O-CA 3.46Å; T159-D165 VanDerWaalsContact CA-O 3.32Å; T159-D165 WeakPolarHBondContact CA-O 3.33Å; T159-D165 WeakPolarHBondContact CB-O 3.3Å; T159-D165 PolarHBondContact OG1-O 3.41Å; D160-D165 PolarHBondContact N-O 2.85Å; D160-D165 PolarHBondContact OD1-N 3.19Å
166C92.4Very high93.8Very high1 Ų139.2 Ų39.21%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-123.3156.5162.570.80000112.2K72 L73 S78 M138 T158K72-C166 PolarHBondContact N-O 2.97Å; L73-C166 WeakPolarHBondContact CB-O 3.32Å; L73-C166 PolarHBondContact N-O 2.98Å; L73-C166 PolarHBondContact O-N 2.78Å; S78-C166 WeakPolarHBondContact CB-SG 3.45Å; M138-C166 HydrophobicContact SD-CB 4.33Å; T158-C166 CarbonylContact O-C 3.57Å; T158-C166 WeakPolarHBondContact O-CA 3.41Å; T158-C166 VanDerWaalsContact O-CB 3.26Å; T158-C166 WeakPolarHBondContact O-CB 3.36Å
167S95.3Very high93.7Very high17 Ų1745.4 Ų45.412%0.11925%0.247CC..EExtended strand (participates in β ladder)trans-129.9145.2173.3-59.90000109.7I70 E71 K72 K157 T158I70-S167 CarbonylContact O-C 3.54Å; I70-S167 VanDerWaalsContact O-CA 3.28Å; I70-S167 WeakPolarHBondContact O-CA 3.48Å; E71-S167 WeakPolarHBondContact CA-OG 3.4Å; K72-S167 PolarHBondContact N-OG 3.2Å; K157-S167 WeakPolarHBondContact CA-O 3.31Å; T158-S167 PolarHBondContact N-O 2.88Å; T158-S167 PolarHBondContact O-N 2.86Å
168I96.8Very high93.7Very high0 Ų046.6 Ų46.60%025%0.253CS..EExtended strand (participates in β ladder)trans-115.4121.7177.7-55.9165.8000107.5A69 I70 L73 L81 L87 Y90 I91 L156 V170A69-I168 CarbonylContact C-O 3.51Å; A69-I168 WeakPolarHBondContact CA-O 3.32Å; A69-I168 WeakPolarHBondContact CB-O 3.29Å; I70-I168 HydrophobicContact CB-CB 4.46Å; I70-I168 PolarHBondContact N-O 3.21Å; I70-I168 PolarHBondContact O-N 2.73Å; L73-I168 HydrophobicContact CD1-CD1 3.6Å; L73-I168 HydrophobicContact CD1-CG1 4.06Å; L81-I168 HydrophobicContact CD1-CD1 4.16Å; L87-I168 HydrophobicContact CD1-CD1 3.56Å; L87-I168 HydrophobicContact CD1-CG1 3.92Å; L87-I168 HydrophobicContact CD1-CG2 4.15Å; Y90-I168 HydrophobicContact CD1-CD1 3.63Å; Y90-I168 HydrophobicContact CE1-CD1 3.84Å; I91-I168 HydrophobicContact CD1-CG2 3.91Å; I91-I168 HydrophobicContact CG1-CG2 4.03Å; L156-I168 WeakPolarHBondContact O-CA 3.29Å; I168-V170 HydrophobicContact CG2-CG2 4.13Å
169W98.1Very high93.8Very high23 Ų2346 Ų469%0.08725%0.25CC..EExtended strand (participates in β ladder)trans-111.6128.4177.9-44.885000108.7A69 E71 H130 H132 L156 T158 Y171A69-W169 HydrophobicContact CB-CD2 3.98Å; A69-W169 HydrophobicContact CB-CE3 3.38Å; A69-W169 HydrophobicContact CB-CZ3 3.71Å; E71-W169 HydrophobicContact CG-CH2 3.95Å; E71-W169 HydrophobicContact CG-CZ2 4.37Å; E71-W169 HydrophobicContact CG-CZ3 4.49Å; H130-W169 AromaticContact CE1-CZ3 3.51Å; H130-W169 AromaticContact ND1-CZ3 3.74Å; H130-W169 AromaticContact NE2-CZ3 4Å; H132-W169 AromaticContact CE1-CD1 3.72Å; H132-W169 AromaticContact CE1-CD2 3.48Å; H132-W169 VanDerWaalsContact CE1-CD2 3.48Å; H132-W169 AromaticContact CE1-CE2 3.36Å; H132-W169 AromaticContact CE1-CG 3.76Å; H132-W169 AromaticContact CE1-CZ2 3.88Å; H132-W169 AromaticContact CE1-NE1 3.47Å; H132-W169 PolarHBondContact CE1-NE1 2.83Å; H132-W169 AromaticContact ND1-NE1 3.85Å; H132-W169 AromaticContact NE2-CD2 3.92Å; H132-W169 AromaticContact NE2-CG 3.86Å; L156-W169 HydrophobicContact CB-CB 4.36Å; L156-W169 PolarHBondContact N-O 3.34Å; L156-W169 PolarHBondContact O-N 3.39Å; T158-W169 PolarHBondContact OG1-NE1 3.47Å; W169-Y171 HydrophobicContact CB-CE2 3.71Å
170V98.2Very high93.9Very high0 Ų051.3 Ų51.30%027%0.273CS..EExtended strand (participates in β ladder)trans-117.9124.1-174.9-172.40000110.1Y66 V67 G68 I91 L100 L153 I168Y66-V170 WeakPolarHBondContact CD2-O 3.43Å; V67-V170 HydrophobicContact CB-CB 4.05Å; V67-V170 HydrophobicContact CB-CG1 3.89Å; V67-V170 WeakPolarHBondContact CB-O 3.19Å; V67-V170 HydrophobicContact CG1-CG1 4.23Å; V67-V170 HydrophobicContact CG2-CG1 4.01Å; V67-V170 PolarHBondContact N-O 3.24Å; G68-V170 PolarHBondContact N-O 2.9Å; G68-V170 PolarHBondContact O-N 3.03Å; I91-V170 HydrophobicContact CD1-CG2 4.07Å; I91-V170 HydrophobicContact CG1-CG2 4.29Å; I91-V170 HydrophobicContact CG2-CG2 4.18Å; L100-V170 HydrophobicContact CD1-CG2 3.99Å; L153-V170 HydrophobicContact CB-CG1 4.46Å; L153-V170 HydrophobicContact CD1-CG1 4.47Å; L153-V170 HydrophobicContact CD2-CG1 4.3Å; I168-V170 HydrophobicContact CG2-CG2 4.13Å
171Y98.1Very high94.1Very high1 Ų150.8 Ų50.80%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-121.6150.6176.8-49.3-85.2000109.5V64 K65 Y66 L111 V120 H132 L153 L154 L156 W169V64-Y171 HydrophobicContact CG2-CD1 4.16Å; V64-Y171 HydrophobicContact CG2-CG 4.43Å; K65-Y171 CarbonylContact O-C 3.54Å; K65-Y171 WeakPolarHBondContact O-CA 3.34Å; Y66-Y171 AromaticContact CD2-CD1 3.71Å; Y66-Y171 HydrophobicContact CD2-CD1 3.71Å; Y66-Y171 AromaticContact CD2-CE1 3.5Å; Y66-Y171 HydrophobicContact CD2-CE1 3.5Å; Y66-Y171 VanDerWaalsContact CD2-CE1 3.5Å; Y66-Y171 AromaticContact CE2-CE1 3.99Å; Y66-Y171 HydrophobicContact CE2-CE1 3.99Å; Y66-Y171 HydrophobicContact CG-CE1 4.42Å; L111-Y171 HydrophobicContact CD1-CD2 4.13Å; L111-Y171 HydrophobicContact CD1-CE2 4.43Å; L111-Y171 HydrophobicContact CD1-CG 4.19Å; V120-Y171 HydrophobicContact CG1-CE1 4.24Å; V120-Y171 HydrophobicContact CG2-CE1 3.99Å; H132-Y171 PolarHBondContact NE2-OH 3.46Å; H132-Y171 VanDerWaalsContact NE2-OH 3.15Å; L153-Y171 CarbonylContact C-O 3.56Å; L153-Y171 WeakPolarHBondContact CA-O 3.4Å; L154-Y171 HydrophobicContact CD2-CD2 4.41Å; L154-Y171 PolarHBondContact N-O 3.46Å; L154-Y171 PolarHBondContact O-N 2.83Å; L156-Y171 HydrophobicContact CB-CE2 4.49Å; W169-Y171 HydrophobicContact CB-CE2 3.71Å
172Q98Very high94.5Very high24 Ų2446.8 Ų46.811%0.11224%0.242CC..EExtended strand (participates in β ladder)trans-106.4123.3173.3-170.2-163.1-96.500109.5K65 V67 P104 K151 L153K65-Q172 HydrophobicContact CB-CB 4.4Å; K65-Q172 PolarHBondContact N-O 3.2Å; K65-Q172 PolarHBondContact O-N 2.95Å; V67-Q172 HydrophobicContact CG2-CB 4.09Å; P104-Q172 VanDerWaalsContact CD-OE1 3.22Å; P104-Q172 HydrophobicContact CG-CB 3.91Å; P104-Q172 HydrophobicContact CG-CG 4.41Å; K151-Q172 HydrophobicContact CB-CG 4.07Å; L153-Q172 HydrophobicContact CD2-CB 4.16Å; L153-Q172 HydrophobicContact CD2-CG 4.25Å
173C97.2Very high94.9Very high1 Ų140.9 Ų40.91%0.00722%0.22CC..EExtended strand (participates in β ladder)trans-81.8156.3173.8-64.80000111.2N152 Q178 A179N152-C173 HydrophobicContact CB-CB 4.44Å; N152-C173 WeakPolarHBondContact O-CB 3.32Å; N152-C173 PolarHBondContact O-N 3.05Å; C173-Q178 HydrophobicContact CB-CB 4.48Å; C173-A179 HydrophobicContact CB-CB 3.96Å
174S93.1Very high95.5Very high73 Ų7342.5 Ų42.551%0.5123%0.225SC..SBendtrans-70.4-32.5175.454.90000112.8Q178S174-Q178 VanDerWaalsContact OG-CD 3.23Å; S174-Q178 PolarHBondContact OG-OE1 3.02Å
175S94.4Very high96Very high36 Ų3638.6 Ų38.625%0.25221%0.209SC..SBendtrans-151.3170.8175.285.10000112.8E177 Q178 A179S175-E177 WeakPolarHBondContact CB-OE2 3.29Å; S175-E177 PolarHBondContact OG-N 2.72Å; S175-E177 PolarHBondContact OG-OE2 3.43Å; S175-Q178 PolarHBondContact O-N 3.32Å; S175-Q178 PolarHBondContact OG-N 3.22Å; S175-A179 PolarHBondContact O-N 3.38Å
176A94.8Very high96.3Very high28 Ų2835.8 Ų35.823%0.23119%0.194CC..Hα-helixtrans-65.3-38.6175.700000112.6N152 Q178 A179 Q180N152-A176 WeakPolarHBondContact OD1-CA 3.39Å; N152-A176 WeakPolarHBondContact OD1-CB 3.32Å; A176-Q178 VanDerWaalsContact C-N 3.29Å; A176-Q178 PolarHBondContact O-N 2.89Å; A176-A179 PolarHBondContact O-N 3.27Å; A176-Q180 WeakPolarHBondContact O-CB 3.46Å; A176-Q180 WeakPolarHBondContact O-CG 3.24Å; A176-Q180 PolarHBondContact O-N 2.92Å
177E96.2Very high96.4Very high133 Ų13339 Ų3962%0.62122%0.216SC*.Hα-helixtrans-63.1-37.5177.6-55.275-164.400111.1S175 A181S175-E177 WeakPolarHBondContact CB-OE2 3.29Å; S175-E177 PolarHBondContact OG-N 2.72Å; S175-E177 PolarHBondContact OG-OE2 3.43Å; E177-A181 VanDerWaalsContact O-CB 3.29Å; E177-A181 WeakPolarHBondContact O-CB 3.49Å; E177-A181 PolarHBondContact O-N 2.91Å
178Q96.8Very high96.4Very high31 Ų3140.3 Ų40.315%0.14523%0.228CC..Hα-helixtrans-64.9-46.7174.3-166.5-166.637.400111.3F62 R63 C173 S174 S175 A176 Q180 A181 I182F62-Q178 HydrophobicContact CD1-CG 3.99Å; R63-Q178 PolarHBondContact O-NE2 3.03Å; R63-Q178 PolarHBondContact O-OE1 3.35Å; C173-Q178 HydrophobicContact CB-CB 4.48Å; S174-Q178 VanDerWaalsContact OG-CD 3.23Å; S174-Q178 PolarHBondContact OG-OE1 3.02Å; S175-Q178 PolarHBondContact O-N 3.32Å; S175-Q178 PolarHBondContact OG-N 3.22Å; A176-Q178 VanDerWaalsContact C-N 3.29Å; A176-Q178 PolarHBondContact O-N 2.89Å; Q178-Q180 VanDerWaalsContact C-N 3.35Å; Q178-Q180 PolarHBondContact O-N 3.46Å; Q178-A181 PolarHBondContact O-N 2.9Å; Q178-I182 HydrophobicContact CG-CD1 4.09Å; Q178-I182 VanDerWaalsContact O-CG1 3.31Å; Q178-I182 WeakPolarHBondContact O-CG1 3.23Å; Q178-I182 PolarHBondContact O-N 3.33Å
179A96.8Very high96.2Very high0 Ų040.3 Ų40.30%023%0.228CC..Hα-helixtrans-61.3-43.3178.600000111.8C142 N152 C173 S175 A176 I182 C183C142-A179 HydrophobicContact CB-CB 3.74Å; N152-A179 HydrophobicContact CB-CB 4.01Å; C173-A179 HydrophobicContact CB-CB 3.96Å; S175-A179 PolarHBondContact O-N 3.38Å; A176-A179 PolarHBondContact O-N 3.27Å; A179-I182 PolarHBondContact O-N 3.45Å; A179-C183 PolarHBondContact O-N 2.86Å; A179-C183 PolarHBondContact O-SG 2.69Å
180Q96.1Very high96Very high123 Ų12342.3 Ų42.358%0.57524%0.237SC*.Hα-helixtrans-64.4-38.1174.5-69.917515.200112.6A176 Q178 C183 K184A176-Q180 WeakPolarHBondContact O-CB 3.46Å; A176-Q180 WeakPolarHBondContact O-CG 3.24Å; A176-Q180 PolarHBondContact O-N 2.92Å; Q178-Q180 VanDerWaalsContact C-N 3.35Å; Q178-Q180 PolarHBondContact O-N 3.46Å; Q180-C183 PolarHBondContact O-N 2.86Å; Q180-K184 WeakPolarHBondContact O-CB 3.31Å; Q180-K184 PolarHBondContact O-N 3.04Å
181A96.8Very high95.7Very high36 Ų3647 Ų4730%0.29826%0.263SS..Hα-helixtrans-64.7-43175.400000112.1F62 E177 Q178 K184 V185F62-A181 HydrophobicContact CE1-CB 3.93Å; F62-A181 HydrophobicContact CZ-CB 4.36Å; E177-A181 VanDerWaalsContact O-CB 3.29Å; E177-A181 WeakPolarHBondContact O-CB 3.49Å; E177-A181 PolarHBondContact O-N 2.91Å; Q178-A181 PolarHBondContact O-N 2.9Å; A181-K184 PolarHBondContact O-N 3.41Å; A181-V185 WeakPolarHBondContact O-CG2 3.3Å; A181-V185 PolarHBondContact O-N 2.99Å
182I97.4Very high95.2Very high0 Ų049.5 Ų49.50%028%0.279CS..Hα-helixtrans-59.4-48.1175.1-67.8160.5000110.4F62 V64 L111 V113 M140 L154 Q178 A179 K184 V185 L186F62-I182 HydrophobicContact CB-CD1 3.91Å; F62-I182 HydrophobicContact CB-CG1 4.01Å; F62-I182 HydrophobicContact CD1-CD1 4.14Å; F62-I182 HydrophobicContact CD1-CG1 3.59Å; F62-I182 HydrophobicContact CD2-CD1 4.36Å; F62-I182 HydrophobicContact CD2-CG1 3.53Å; F62-I182 HydrophobicContact CE1-CG1 3.81Å; F62-I182 HydrophobicContact CE2-CB 4.49Å; F62-I182 HydrophobicContact CE2-CG1 3.74Å; F62-I182 HydrophobicContact CG-CD1 3.91Å; F62-I182 HydrophobicContact CG-CG1 3.43Å; F62-I182 VanDerWaalsContact CG-CG1 3.43Å; F62-I182 HydrophobicContact CZ-CG1 3.87Å; V64-I182 HydrophobicContact CG1-CD1 4.11Å; L111-I182 HydrophobicContact CD2-CG2 4.13Å; V113-I182 HydrophobicContact CG2-CG2 4.1Å; M140-I182 HydrophobicContact CE-CG2 3.63Å; M140-I182 HydrophobicContact SD-CG2 4.12Å; L154-I182 HydrophobicContact CD1-CG2 4.13Å; L154-I182 HydrophobicContact CD2-CD1 4.37Å; L154-I182 HydrophobicContact CD2-CG2 3.63Å; Q178-I182 HydrophobicContact CG-CD1 4.09Å; Q178-I182 VanDerWaalsContact O-CG1 3.31Å; Q178-I182 WeakPolarHBondContact O-CG1 3.23Å; Q178-I182 PolarHBondContact O-N 3.33Å; A179-I182 PolarHBondContact O-N 3.45Å; I182-K184 PolarHBondContact O-N 3.36Å; I182-V185 PolarHBondContact O-N 3.22Å; I182-L186 PolarHBondContact O-N 3.04Å; I182-L186 VanDerWaalsContact O-N 3.09Å
183C96.6Very high94.7Very high26 Ų2651.9 Ų51.918%0.17630%0.295CS..Hα-helixtrans-57.8-45.1173.5-71.20000112.6M140 C142 A179 Q180 V185 L186 S187M140-C183 HydrophobicContact CE-CB 4.32Å; C142-C183 VanDerWaalsContact SG-SG 3.66Å; A179-C183 PolarHBondContact O-N 2.86Å; A179-C183 PolarHBondContact O-SG 2.69Å; Q180-C183 PolarHBondContact O-N 2.86Å; C183-V185 PolarHBondContact O-N 2.94Å; C183-L186 PolarHBondContact O-N 2.99Å; C183-S187 PolarHBondContact O-N 3.44Å; C183-S187 PolarHBondContact O-OG 3.41Å
184K96.2Very high94.2Very high164 Ų16458.1 Ų58.171%0.71333%0.328SS*.Hα-helixtrans-63.3-40.6180-174.4178.4179.3-179.40113Q180 A181 I182 A188Q180-K184 WeakPolarHBondContact O-CB 3.31Å; Q180-K184 PolarHBondContact O-N 3.04Å; A181-K184 PolarHBondContact O-N 3.41Å; I182-K184 PolarHBondContact O-N 3.36Å; K184-A188 WeakPolarHBondContact O-CB 3.32Å; K184-A188 PolarHBondContact O-N 3Å; K184-A188 VanDerWaalsContact O-N 3.09Å
185V96.4Very high93.5Very high31 Ų3159 Ų5919%0.18833%0.33CS..Hα-helixtrans-68.7-36.4176.3177.50000111.2A60 F62 V113 A181 I182 C183 S189A60-V185 HydrophobicContact CB-CG1 4.14Å; A60-V185 HydrophobicContact CB-CG2 4.09Å; F62-V185 HydrophobicContact CZ-CG2 4.21Å; V113-V185 HydrophobicContact CB-CB 4.42Å; V113-V185 HydrophobicContact CB-CG1 3.87Å; V113-V185 HydrophobicContact CG1-CB 4.32Å; V113-V185 HydrophobicContact CG1-CG1 3.83Å; A181-V185 WeakPolarHBondContact O-CG2 3.3Å; A181-V185 PolarHBondContact O-N 2.99Å; I182-V185 PolarHBondContact O-N 3.22Å; C183-V185 PolarHBondContact O-N 2.94Å; V185-S189 WeakPolarHBondContact O-CB 3.49Å; V185-S189 PolarHBondContact O-N 2.94Å; V185-S189 PolarHBondContact O-OG 3.18Å
186L96.3Very high92Very high4 Ų461.5 Ų61.52%0.02135%0.348CS..Hα-helixtrans-67.3-44.5176-172.268.6000111.9V113 V118 L134 I137 M140 I182 C183 A188 S189 F190V113-L186 HydrophobicContact CG1-CB 3.99Å; V113-L186 HydrophobicContact CG1-CD1 3.94Å; V118-L186 HydrophobicContact CG2-CD1 4.21Å; L134-L186 HydrophobicContact CD1-CD1 3.63Å; I137-L186 HydrophobicContact CD1-CD1 4.13Å; I137-L186 HydrophobicContact CG2-CD2 4.26Å; M140-L186 HydrophobicContact CB-CD2 3.72Å; M140-L186 HydrophobicContact CE-CB 3.69Å; M140-L186 HydrophobicContact CE-CD2 3.49Å; M140-L186 VanDerWaalsContact CE-CD2 3.49Å; M140-L186 HydrophobicContact CE-CG 4.22Å; M140-L186 HydrophobicContact CG-CD2 4.43Å; M140-L186 HydrophobicContact SD-CD2 3.84Å; I182-L186 PolarHBondContact O-N 3.04Å; I182-L186 VanDerWaalsContact O-N 3.09Å; C183-L186 PolarHBondContact O-N 2.99Å; L186-A188 PolarHBondContact O-N 2.94Å; L186-S189 WeakPolarHBondContact O-CA 3.41Å; L186-S189 WeakPolarHBondContact O-CB 3.45Å; L186-S189 PolarHBondContact O-N 2.86Å; L186-F190 HydrophobicContact CD1-CE2 4.16Å; L186-F190 HydrophobicContact CD2-CE2 3.96Å; L186-F190 HydrophobicContact CG-CD2 4.1Å; L186-F190 HydrophobicContact CG-CE2 3.72Å; L186-F190 WeakPolarHBondContact O-CD2 3.46Å; L186-F190 PolarHBondContact O-N 2.79Å
187S95.4Very high90Very high67 Ų6769 Ų6947%0.46938%0.378SS..Hα-helixtrans-57.6-48.6174.6-61.30000111.7C183 S189 F190 D191C183-S187 PolarHBondContact O-N 3.44Å; C183-S187 PolarHBondContact O-OG 3.41Å; S187-S189 PolarHBondContact O-N 3.25Å; S187-F190 WeakPolarHBondContact O-CB 3.43Å; S187-F190 PolarHBondContact O-N 3.35Å; S187-F190 VanDerWaalsContact O-N 3.08Å; S187-D191 PolarHBondContact O-N 3.41Å
188A93.9Very high87.8Confident45 Ų4571.9 Ų71.937%0.37239%0.388SS..Hα-helixtrans-61.4-28.1176.200000113.1K184 L186 C192K184-A188 WeakPolarHBondContact O-CB 3.32Å; K184-A188 PolarHBondContact O-N 3Å; K184-A188 VanDerWaalsContact O-N 3.09Å; L186-A188 PolarHBondContact O-N 2.94Å; A188-C192 WeakPolarHBondContact O-CB 3.46Å; A188-C192 PolarHBondContact O-N 3.13Å
189S93.5Very high85.1Confident0 Ų078.8 Ų78.80%044%0.44CS..Hα-helixtrans-72.1-39174.8-59.40000112V185 L186 S187 V193V185-S189 WeakPolarHBondContact O-CB 3.49Å; V185-S189 PolarHBondContact O-N 2.94Å; V185-S189 PolarHBondContact O-OG 3.18Å; L186-S189 WeakPolarHBondContact O-CA 3.41Å; L186-S189 WeakPolarHBondContact O-CB 3.45Å; L186-S189 PolarHBondContact O-N 2.86Å; S187-S189 PolarHBondContact O-N 3.25Å; S189-V193 PolarHBondContact O-N 3.38Å
190F93.8Very high84.5Confident65 Ų6582.7 Ų82.729%0.28546%0.462SS..Hα-helixtrans-64.8-48.5170.1-74.3-67.1000111.6L134 I137 L186 S187 C192 V193 L194L134-F190 HydrophobicContact CD1-CD1 3.82Å; L134-F190 HydrophobicContact CD1-CD2 4.24Å; L134-F190 HydrophobicContact CD1-CE1 3.58Å; L134-F190 HydrophobicContact CD1-CE2 4.03Å; L134-F190 HydrophobicContact CD1-CG 4.15Å; L134-F190 HydrophobicContact CD1-CZ 3.7Å; L134-F190 HydrophobicContact CD2-CD1 4.1Å; L134-F190 HydrophobicContact CD2-CE1 4.44Å; L134-F190 HydrophobicContact CG-CD1 3.79Å; L134-F190 HydrophobicContact CG-CE1 3.63Å; L134-F190 HydrophobicContact CG-CZ 4.25Å; L134-F190 WeakPolarHBondContact O-CE1 3.14Å; I137-F190 HydrophobicContact CB-CZ 4.14Å; I137-F190 HydrophobicContact CG2-CZ 4.1Å; L186-F190 HydrophobicContact CD1-CE2 4.16Å; L186-F190 HydrophobicContact CD2-CE2 3.96Å; L186-F190 HydrophobicContact CG-CD2 4.1Å; L186-F190 HydrophobicContact CG-CE2 3.72Å; L186-F190 WeakPolarHBondContact O-CD2 3.46Å; L186-F190 PolarHBondContact O-N 2.79Å; S187-F190 WeakPolarHBondContact O-CB 3.43Å; S187-F190 PolarHBondContact O-N 3.35Å; S187-F190 VanDerWaalsContact O-N 3.08Å; F190-C192 VanDerWaalsContact C-N 3.28Å; F190-C192 PolarHBondContact O-N 3.41Å; F190-V193 PolarHBondContact O-N 2.57Å; F190-L194 WeakPolarHBondContact O-CG 3.11Å; F190-L194 PolarHBondContact O-N 3.22Å
191D91.8Very high83.9Confident100 Ų10080.6 Ų80.654%0.53546%0.456SS..Hα-helixtrans-58.2-40.5179.1-67-34.5000111.8S187 L194 T195S187-D191 PolarHBondContact O-N 3.41Å; D191-L194 PolarHBondContact O-N 3.05Å; D191-T195 WeakPolarHBondContact O-CB 3.41Å; D191-T195 WeakPolarHBondContact O-CG2 3.44Å; D191-T195 PolarHBondContact O-N 3.22Å; D191-T195 PolarHBondContact O-OG1 3.4Å
192C88.9Confident83.1Confident53 Ų5383.1 Ų83.136%0.35847%0.465SS..Hα-helixtrans-61.8-45.7176.8179.40000112.4A188 F190 T195 S196A188-C192 WeakPolarHBondContact O-CB 3.46Å; A188-C192 PolarHBondContact O-N 3.13Å; F190-C192 VanDerWaalsContact C-N 3.28Å; F190-C192 PolarHBondContact O-N 3.41Å; C192-T195 PolarHBondContact O-N 2.9Å; C192-T195 PolarHBondContact O-OG1 2.83Å; C192-S196 PolarHBondContact O-N 3.36Å; C192-S196 VanDerWaalsContact O-N 3.14Å
193V87.5Confident82.3Confident73 Ų7387.9 Ų87.944%0.44249%0.492SS..Hα-helixtrans-67.4-41.2178.5173.10000111.2L134 S189 F190 T195 S196L134-V193 HydrophobicContact CD2-CB 4.45Å; L134-V193 HydrophobicContact CD2-CG2 3.84Å; S189-V193 PolarHBondContact O-N 3.38Å; F190-V193 PolarHBondContact O-N 2.57Å; V193-T195 VanDerWaalsContact C-N 3.3Å; V193-T195 PolarHBondContact O-N 3.23Å; V193-S196 PolarHBondContact O-N 2.91Å
194L85.1Confident81.4Confident132 Ų13291.8 Ų91.869%0.69151%0.512SS*.Hα-helixtrans-70.6-20.3178.8-67.4172.5000114.2F190 D191F190-L194 WeakPolarHBondContact O-CG 3.11Å; F190-L194 PolarHBondContact O-N 3.22Å; D191-L194 PolarHBondContact O-N 3.05Å
195T80Confident80.4Confident91 Ų9187 Ų8756%0.55850%0.499SS*.Hα-helixtrans-96.1-15.5177.149.60000113.6D191 C192 V193 E197 K198D191-T195 WeakPolarHBondContact O-CB 3.41Å; D191-T195 WeakPolarHBondContact O-CG2 3.44Å; D191-T195 PolarHBondContact O-N 3.22Å; D191-T195 PolarHBondContact O-OG1 3.4Å; C192-T195 PolarHBondContact O-N 2.9Å; C192-T195 PolarHBondContact O-OG1 2.83Å; V193-T195 VanDerWaalsContact C-N 3.3Å; V193-T195 PolarHBondContact O-N 3.23Å; T195-E197 PolarHBondContact O-N 3.36Å; T195-K198 PolarHBondContact O-N 3.11Å
196S61Low79.3Confident90 Ų9091 Ų9163%0.62952%0.521SS*.G310 helixtrans-67.2-15.9-176.7-168.40000114.9C192 V193 K198C192-S196 PolarHBondContact O-N 3.36Å; C192-S196 VanDerWaalsContact O-N 3.14Å; V193-S196 PolarHBondContact O-N 2.91Å; S196-K198 VanDerWaalsContact C-N 3.26Å; S196-K198 PolarHBondContact O-N 3.32Å
197E53.3Low78Confident186 Ų18697.7 Ų97.787%0.86956%0.56SS**G310 helixtrans-849.6178.5-61-165.4137.700114.1T195T195-E197 PolarHBondContact O-N 3.36Å
198K49.8Very low76.5Confident192 Ų192100.3 Ų100.384%0.83557%0.567SS**G310 helixtrans-116.423.3-175.5-68.9-175.6177174.30114.6T195 S196T195-K198 PolarHBondContact O-N 3.11Å; S196-K198 VanDerWaalsContact C-N 3.26Å; S196-K198 PolarHBondContact O-N 3.32Å
199S39.8Very low74.9Confident176 Ų176105.3 Ų105.3100%1.23159%0.585SS**  trans-1340178.6-173.30000112.9

Retrieved 199 of 199 residues in 964.8 ms (Link to these results)