A0A096MZH1_PAPAN Loading...

Platelet-derived growth factor receptor-like protein

AlphaFold DB (A0A2I3M087), UniProt , Accession A0A096MZH1, Species PAPAN (Papio anubis, Olive baboon), Gene PDGFRL, Length 375 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
1M34.8Very low34.6Very low248 Ų248159.9 Ų159.9100%1.22283%0.834SS**  0130.10-76.4157.37200107.9
2K35.8Very low34.6Very low199 Ų199158 Ų15887%0.86583%0.834SS**  trans-68.8146.3-173.8-68.8170.1170.2176.80112.7
3V37.2Very low34.2Very low142 Ų142158.1 Ų158.186%0.86183%0.826SS**  trans-169102.9138.4-177.20000104.9
4W37.2Very low33.8Very low218 Ų218159.8 Ų159.883%0.82683%0.828SS**  55.8120.364.2-97.344000117.3
5L35.1Very low33.4Very low126 Ų126154.3 Ų154.366%0.6682%0.816SS**  trans78.8132.7143.9-77.8171.4000117.1
6L36.5Very low33.1Very low161 Ų161154.6 Ų154.684%0.84381%0.813SS**  cis-157.214448-95.6131.9000113.3
7L34.2Very low32.7Very low147 Ų147155.2 Ų155.277%0.7781%0.811SS**  trans-71.7149.8154.2-8795000110.8L9L7-L9 HydrophobicContact CD2-CD1 4.1Å
8G32.1Very low32.3Very low82 Ų82154.1 Ų154.185%0.84581%0.806SS**  trans-141.894.6160.600000110.4
9L33.3Very low32Very low133 Ų133153.3 Ų153.370%0.69681%0.808SS**  trans-74.3135.5165.6-92.8126.6000109.4L7 L11L7-L9 HydrophobicContact CD2-CD1 4.1Å; L9-L11 HydrophobicContact CD2-CD1 4.36Å
10L33.2Very low31.7Very low170 Ų170152.1 Ų152.189%0.8981%0.807SS**  trans-144.5103.8150.9-98.9162.1000108.7
11L31.8Very low31.5Very low133 Ų133148.2 Ų148.270%0.69680%0.803SS**  trans-82.2133161.6-87.3152.4000108L9L9-L11 HydrophobicContact CD2-CD1 4.36Å
12V34.4Very low31Very low137 Ų137146.3 Ų146.383%0.8379%0.792SS**  trans-126.5129.7154177.70000106.6
13H28.7Very low30.5Very low159 Ų159144.8 Ų144.874%0.73679%0.787SS**  trans-115.3163.3-177.1-132.890.3000109
14E29.1Very low29.9Very low182 Ų182144.7 Ų144.785%0.8578%0.781SS**  trans82.5148.4163.7-64.8-175150.200118.7
15A28Very low30.3Very low78 Ų78138.8 Ų138.865%0.64577%0.771SS**  cis172.3163.9-25.200000106.2
16M27.8Very low29.8Very low158 Ų158141.8 Ų141.878%0.77878%0.778SS**  trans79.2141.8161-67.9168.177.200116.7
17E26.5Very low29.3Very low165 Ų165142.2 Ų142.277%0.77178%0.782SS**  cis-163.5160.819-133.6168178.600112.7
18D26.8Very low29Very low135 Ų135144.9 Ų144.972%0.72279%0.787SS**  trans-87.8144.5177.1-170.412.5000110.4
19V25.5Very low28.8Very low140 Ų140151 Ų15185%0.84879%0.785SS**  trans-144.6132.7161.2178.10000111.4
20T26.8Very low28.7Very low128 Ų128151.1 Ų151.179%0.78579%0.794SS**  trans-104.5167.6-168.821.10000113.9
21G26.6Very low28.3Very low71 Ų71150.9 Ų150.973%0.73279%0.785SS**  trans117135.4155.200000114.4
22Q25.4Very low28.1Very low208 Ų208152.1 Ų152.197%0.97279%0.788SS**  cis-166.8173.433.2-109.7164.6-14.100112.8
23H25Very low28.2Very low167 Ų167151.3 Ų151.377%0.77379%0.785SS**  trans-111.2150.4-159-119-61.6000114.9
24L24.7Very low28Very low141 Ų141146.8 Ų146.874%0.73878%0.781SS**  trans67.6168.9141.1-76.6154.7000120.9
25P44Very low27.9Very low93 Ų93146.2 Ų146.260%0.60478%0.778SS**  cis-144-179.1-33.437.5-18.4000117.2
26K25.3Very low27.8Very low189 Ų189147.4 Ų147.482%0.82277%0.774SS**  trans64.6131.3142.7-80.5165.9-175.7175.80121.1
27N26.2Very low27.8Very low171 Ų171150 Ų15091%0.91478%0.775SS**  -152.6131.6125.3-110.3-17.8000114.6
28K27.2Very low28Very low202 Ų202149.5 Ų149.588%0.87878%0.776SS**  trans-100.6151.9169.2-88.1-178.7175.2178.50108.6
29R28.9Very low28.1Very low211 Ų211152.5 Ų152.580%0.79678%0.783SS**  trans-20.7163.6168.9-62.9178.5179.9172.9-0.8118.3
30P30.4Very low28.4Very low136 Ų136151.6 Ų151.688%0.88378%0.78SS**  -124.6162.1109.24.916.3000114.3
31K25.3Very low28.5Very low164 Ų164151.1 Ų151.171%0.71378%0.777SS**  trans-122.8160.1177.6-151.2-169.7-172.4-166.70107.8
32E27.8Very low28.6Very low160 Ų160155.4 Ų155.475%0.74878%0.783SS**  trans93.7162.4156.2-80.2-174.4-171.100120
33P35.5Very low28.9Very low120 Ų120155.2 Ų155.278%0.77978%0.779SS**  cis-133.1-176.5-23.227.6-5.2000110
34G25.5Very low29.1Very low63 Ų63157.5 Ų157.565%0.64979%0.787SS**  cis166.9170.87.600000108.5
35E26.9Very low29.3Very low170 Ų170157.5 Ų157.579%0.79479%0.792SS**  trans68.1142.5154.8-73.1-165.5126.300119.3
36N26.4Very low28.6Very low104 Ų104162.3 Ų162.356%0.55680%0.804SS**  cis-160.5148.311.2-110.3-31.5000111
37R27.8Very low28.7Very low213 Ų213159.5 Ų159.580%0.80481%0.805SS**  trans36.4141.2139.3-55.5170.2166.8-176.4-3.9118.9
38I30.5Very low28.9Very low153 Ų153160.9 Ų160.979%0.78580%0.803SS**  -174.8138.661.8-71.1170.4000107.1
39K29Very low28.9Very low198 Ų198159.1 Ų159.186%0.86180%0.801SS**  trans-83151.5161.9-81.7179.1176.3174.30109.9
40P30.7Very low28.9Very low122 Ų122154.7 Ų154.779%0.79280%0.8SS**  -138.6164.3113.824.6-4.5000115.4
41T28.6Very low28.6Very low117 Ų117158.1 Ų158.172%0.71880%0.801SS**  trans-69.7146.5-171.2430000115.9
42N29.6Very low28.9Very low161 Ų161157.9 Ų157.986%0.86181%0.805SS**  -177.9140.3113.2-92.8-25.3000114.1
43K32.2Very low28.8Very low205 Ų205159.6 Ų159.689%0.89181%0.811SS**  trans-67.3135.6174.9-73.5172.7173.8173.80111.3
44K28.6Very low28.5Very low214 Ų214160.7 Ų160.793%0.9381%0.81SS**  trans-153.9151.5145-106.6174.2-173.5-1780110.4
45V28.5Very low28.7Very low142 Ų142169 Ų16986%0.86182%0.821SS**  trans-79.9152.1-152.3171.50000114.1
46K29.1Very low28.8Very low193 Ų193168.6 Ų168.684%0.83983%0.825SS**  trans-56.7156.8178.1-76.9178.5174.2175.40114.9
47P27.2Very low29Very low130 Ų130168.9 Ų168.984%0.84484%0.835SS**  -132.8167.6111.822.9-3.4000115.4
48K31Very low29.4Very low201 Ų201162.9 Ų162.987%0.87483%0.831SS**  trans-71.7148.4-165.1-66167.6171.6174.10116
49I27.3Very low29.8Very low164 Ų164163.1 Ų163.184%0.84183%0.834SS**  trans-147145.9144.1-64.2-170.7000109.2
50P28.7Very low30.2Very low119 Ų119158.4 Ų158.477%0.77383%0.826SS**PPolyproline II helixtrans-82.5150.1-156.6-7.125.1000115.8
51K24.7Very low30.5Very low208 Ų208158.1 Ų158.190%0.90482%0.822SS**PPolyproline II helixtrans-85.3117.3171-73-175.8174.6-175.50110.7
52I31Very low31.1Very low158 Ų158158 Ų15881%0.8182%0.823SS**PPolyproline II helixtrans-74.1127.2154.7-67.5167.1000106.3
53K26.7Very low32Very low197 Ų197160.1 Ų160.186%0.85783%0.825SS**  trans-111.9105.6175.6-164.7179.5-176.7-174.10106.4R55K53-R55 PolarHBondContact O-N 3.45Å
54D27.9Very low33.4Very low143 Ų143154.5 Ų154.577%0.76581%0.808SS**  trans-55.2131.9173.2-78.1-49.7000110.3
55R30.9Very low35.7Very low236 Ų236152 Ų15289%0.89180%0.8SS**  trans-104.589.7-178.6-175.1-179.4-176172.3-0106.4K53 S57K53-R55 PolarHBondContact O-N 3.45Å; R55-S57 PolarHBondContact O-N 3.14Å; R55-S57 VanDerWaalsContact O-N 3.14Å
56D29.3Very low38.7Very low163 Ų163146.8 Ų146.887%0.87277%0.769SS**  trans-70.2109.5166.1-81.2-35.5000108.8A58D56-A58 PolarHBondContact O-N 3.29Å
57S30.8Very low41.9Very low109 Ų109138.7 Ų138.776%0.76274%0.735SS**  trans-72.6101177.7163.30000109.3R55 D59R55-S57 PolarHBondContact O-N 3.14Å; R55-S57 VanDerWaalsContact O-N 3.14Å; S57-D59 PolarHBondContact O-N 3.44Å
58A35.6Very low45.2Very low87 Ų87132.5 Ų132.572%0.71970%0.695SS**  trans-64.3127.416200000109.5D56 S60D56-A58 PolarHBondContact O-N 3.29Å; A58-S60 PolarHBondContact O-N 3.05Å
59D38.4Very low48.3Very low158 Ų158126.1 Ų126.185%0.84567%0.669SS**  trans-43.2103.9171.6-163.89.7000111.4S57S57-D59 PolarHBondContact O-N 3.44Å
60S36.8Very low51.6Low100 Ų100119.3 Ų119.370%0.69963%0.633SS**  trans-112.799.2172.771.20000108.2A58A58-S60 PolarHBondContact O-N 3.05Å
61T36.9Very low54.7Low115 Ų115114.6 Ų114.671%0.70660%0.602SS**  trans-50.9129.9160.247.70000108.5K63T61-K63 PolarHBondContact O-N 3.04Å; T61-K63 VanDerWaalsContact O-N 3.08Å
62P41.9Very low57.8Low114 Ų114107.8 Ų107.874%0.7458%0.575SS**  trans-63.2118.7-178.522.5-29.7000108.5T64P62-T64 VanDerWaalsContact C-N 3.35Å; P62-T64 PolarHBondContact O-N 2.85Å
63K49.3Very low60.2Low206 Ų206107.3 Ų107.390%0.89658%0.575SS**  trans-62.895.7174.2-73.9-178.9179.1177.60108.6T61 Q65T61-K63 PolarHBondContact O-N 3.04Å; T61-K63 VanDerWaalsContact O-N 3.08Å; K63-Q65 PolarHBondContact O-N 2.72Å
64T60.9Low62.5Low88 Ų88107.3 Ų107.354%0.5458%0.575SS.*  trans-58.7111.6174.8-29.40000108.4P62 S66 T158P62-T64 VanDerWaalsContact C-N 3.35Å; P62-T64 PolarHBondContact O-N 2.85Å; T64-S66 PolarHBondContact O-N 3.08Å; T64-T158 WeakPolarHBondContact CG2-O 3.35Å
65Q77.1Confident65Low162 Ų162102.7 Ų102.776%0.75756%0.561SS**  trans-77.1114.5-176.8-172.7174.74.600109.1K63 I67K63-Q65 PolarHBondContact O-N 2.72Å; Q65-I67 PolarHBondContact O-N 2.6Å
66S91.5Very high67.7Low31 Ų3199.7 Ų99.722%0.21755%0.549CS..  trans-50.1132.3176.3174.10000111.9T64 M68 T160 G161T64-S66 PolarHBondContact O-N 3.08Å; S66-M68 VanDerWaalsContact C-N 3.31Å; S66-M68 PolarHBondContact OG-N 3.08Å; S66-T160 VanDerWaalsContact CA-O 3.3Å; S66-T160 WeakPolarHBondContact CA-O 3.42Å; S66-G161 WeakPolarHBondContact OG-CA 3.49Å
67I95.3Very high70.7Confident24 Ų2497.3 Ų97.312%0.12353%0.532CS..  trans-85.5-3.417963.3163.7000113.5Q65 C96 K97 I101 K159 T160Q65-I67 PolarHBondContact O-N 2.6Å; I67-C96 HydrophobicContact CD1-CB 3.97Å; I67-C96 HydrophobicContact CG1-CB 4.18Å; I67-C96 WeakPolarHBondContact O-CA 3.13Å; I67-K97 PolarHBondContact O-N 3.32Å; I67-I101 HydrophobicContact CD1-CD1 4.05Å; I67-K159 HydrophobicContact CD1-CB 4.29Å; I67-K159 VanDerWaalsContact CD1-O 3.26Å; I67-K159 WeakPolarHBondContact CD1-O 3.32Å; I67-K159 HydrophobicContact CG2-CB 4.05Å; I67-K159 HydrophobicContact CG2-CG 4.47Å; I67-T160 PolarHBondContact N-O 2.86Å; I67-T160 VanDerWaalsContact N-O 3.14Å
68M97.3Very high73.7Confident0 Ų097.3 Ų97.30%052%0.52CS..EExtended strand (participates in β ladder)trans-89.3137.1-174.7-176-178.6-77.900112.1S66 P80 L94 R95 W103 C143 G161 T163S66-M68 VanDerWaalsContact C-N 3.31Å; S66-M68 PolarHBondContact OG-N 3.08Å; M68-P80 HydrophobicContact CB-CG 4.43Å; M68-P80 HydrophobicContact CG-CG 3.86Å; M68-P80 WeakPolarHBondContact O-CD 3.3Å; M68-P80 HydrophobicContact SD-CG 3.84Å; M68-L94 HydrophobicContact CE-CD1 4.29Å; M68-L94 HydrophobicContact SD-CD1 4.13Å; M68-L94 HydrophobicContact SD-CD2 4.29Å; M68-R95 CarbonylContact C-O 3.49Å; M68-R95 WeakPolarHBondContact CA-O 3.47Å; M68-W103 HydrophobicContact CE-CZ3 4.07Å; M68-C143 HydrophobicContact CE-CB 4.19Å; M68-G161 WeakPolarHBondContact CE-O 3.5Å; M68-T163 HydrophobicContact SD-CG2 3.73Å
69M96.3Very high76.5Confident67 Ų6798.7 Ų98.733%0.3351%0.509SS..EExtended strand (participates in β ladder)trans-130.3134174.4-62.6-61.3-6600109.3F77 Q78 K79 L94 R95M69-F77 HydrophobicContact CE-CB 3.78Å; M69-Q78 CarbonylContact C-O 3.56Å; M69-Q78 WeakPolarHBondContact CA-O 3.49Å; M69-K79 HydrophobicContact SD-CB 4.18Å; M69-L94 CarbonylContact O-C 3.49Å; M69-L94 WeakPolarHBondContact O-CA 3.48Å; M69-R95 PolarHBondContact N-O 3.21Å; M69-R95 PolarHBondContact O-N 3.43Å
70Q95.8Very high79.2Confident20 Ų2091.7 Ų91.79%0.09347%0.472CS..EExtended strand (participates in β ladder)trans-85.5133.8167.6-175.6-179.99.400109.1L72 F77 Q78 P80 L94Q70-L72 HydrophobicContact CG-CD2 4.37Å; Q70-F77 WeakPolarHBondContact O-CA 3.47Å; Q70-Q78 PolarHBondContact N-O 3.23Å; Q70-Q78 PolarHBondContact O-N 3.39Å; Q70-P80 HydrophobicContact CB-CB 4.34Å; Q70-L94 HydrophobicContact CB-CD2 4.07Å; Q70-L94 HydrophobicContact CG-CD2 4.27Å
71V94.4Very high81.9Confident20 Ų2089.4 Ų89.412%0.12146%0.46CS..EExtended strand (participates in β ladder)trans-90.8119.4171.3-169.50000107.7F77 E93 R95V71-F77 HydrophobicContact CG1-CE1 4.26Å; V71-F77 HydrophobicContact CG2-CD1 3.93Å; V71-F77 HydrophobicContact CG2-CE1 3.73Å; V71-E93 HydrophobicContact CB-CB 3.99Å; V71-E93 HydrophobicContact CB-CG 3.94Å; V71-E93 HydrophobicContact CG2-CB 4.31Å; V71-E93 HydrophobicContact CG2-CG 3.76Å; V71-E93 PolarHBondContact N-O 2.75Å; V71-R95 HydrophobicContact CG2-CG 3.87Å
72L90.5Very high84.7Confident65 Ų6587.4 Ų87.434%0.3446%0.455SS..EExtended strand (participates in β ladder)trans-95.4168.1177.2-62.7171.4000110.2Q70 K74 G75 R76 Q78Q70-L72 HydrophobicContact CG-CD2 4.37Å; L72-K74 PolarHBondContact O-N 3.11Å; L72-G75 PolarHBondContact O-N 3.45Å; L72-G75 VanDerWaalsContact O-N 3.15Å; L72-R76 HydrophobicContact CB-CB 4.35Å; L72-R76 PolarHBondContact N-O 3.37Å; L72-Q78 HydrophobicContact CD1-CB 3.91Å
73D79.7Confident87.2Confident149 Ų14984.7 Ų84.780%0.79744%0.436SS*.G310 helixtrans-49.8142.1171.7-65.9-29000111.5G75D73-G75 VanDerWaalsContact C-N 3.3Å
74K76.3Confident89.4Confident196 Ų19676.1 Ų76.185%0.85240%0.4SS*.G310 helixtrans6921.8-176.3-46175.9-179.4-179.90114.3L72 R76L72-K74 PolarHBondContact O-N 3.11Å; K74-R76 VanDerWaalsContact C-N 3.31Å; K74-R76 PolarHBondContact O-N 3.3Å
75G79.1Confident91Very high46 Ų4675.1 Ų75.147%0.47440%0.397SS..G310 helixtrans72.321.8171.300000114.2L72 D73 F77L72-G75 PolarHBondContact O-N 3.45Å; L72-G75 VanDerWaalsContact O-N 3.15Å; D73-G75 VanDerWaalsContact C-N 3.3Å; G75-F77 VanDerWaalsContact O-CE2 3.22Å; G75-F77 WeakPolarHBondContact O-CE2 3.45Å
76R89.4Confident91.9Very high173 Ų17368.7 Ų68.765%0.65337%0.367SS*.EExtended strand (participates in β ladder)trans-82.4144.8175.4-67.7-179.6178.9179.5-1.3109.8L72 K74L72-R76 HydrophobicContact CB-CB 4.35Å; L72-R76 PolarHBondContact N-O 3.37Å; K74-R76 VanDerWaalsContact C-N 3.31Å; K74-R76 PolarHBondContact O-N 3.3Å
77F92.4Very high92.1Very high114 Ų11472.3 Ų72.350%0.538%0.384SS..EExtended strand (participates in β ladder)trans-110.6132.8179.7-57.6-87.2000110M69 Q70 V71 G75M69-F77 HydrophobicContact CE-CB 3.78Å; Q70-F77 WeakPolarHBondContact O-CA 3.47Å; V71-F77 HydrophobicContact CG1-CE1 4.26Å; V71-F77 HydrophobicContact CG2-CD1 3.93Å; V71-F77 HydrophobicContact CG2-CE1 3.73Å; G75-F77 VanDerWaalsContact O-CE2 3.22Å; G75-F77 WeakPolarHBondContact O-CE2 3.45Å
78Q93.6Very high92.1Very high109 Ų10972.6 Ų72.651%0.50939%0.39SS..EExtended strand (participates in β ladder)trans-132.9143.9173.9-171.617815.100110.1M69 Q70 L72 P80M69-Q78 CarbonylContact C-O 3.56Å; M69-Q78 WeakPolarHBondContact CA-O 3.49Å; Q70-Q78 PolarHBondContact N-O 3.23Å; Q70-Q78 PolarHBondContact O-N 3.39Å; L72-Q78 HydrophobicContact CD1-CB 3.91Å; Q78-P80 WeakPolarHBondContact O-CD 3.12Å
79K93.9Very high91.9Very high115 Ų11574.7 Ų74.750%0.541%0.411SS..PPolyproline II helixtrans-68.8121.6168.3178.8177.2171.3175.10108.4M69M69-K79 HydrophobicContact SD-CB 4.18Å
80P94.7Very high91.8Very high11 Ų1175.4 Ų75.47%0.07141%0.414CS..PPolyproline II helixtrans-64.2146.9179.327.2-32.4000110.4M68 Q70 Q78 L84 T163M68-P80 HydrophobicContact CB-CG 4.43Å; M68-P80 HydrophobicContact CG-CG 3.86Å; M68-P80 WeakPolarHBondContact O-CD 3.3Å; M68-P80 HydrophobicContact SD-CG 3.84Å; Q70-P80 HydrophobicContact CB-CB 4.34Å; Q78-P80 WeakPolarHBondContact O-CD 3.12Å; P80-L84 HydrophobicContact CB-CD1 3.74Å; P80-L84 HydrophobicContact CB-CG 4.45Å; P80-T163 HydrophobicContact CB-CG2 4.28Å; P80-T163 HydrophobicContact CG-CG2 4.42Å
81A94.3Very high91.7Very high53 Ų5378.2 Ų78.244%0.43844%0.436SS..PPolyproline II helixtrans-66.2165.2168.100000110.1T83 L84 T163A81-T83 WeakPolarHBondContact CB-O 3.22Å; A81-T83 PolarHBondContact O-N 3.4Å; A81-L84 HydrophobicContact CB-CD2 4.02Å; A81-T163 PolarHBondContact O-OG1 3.1Å
82A94.3Very high91.8Very high73 Ų7377.4 Ų77.460%0.60343%0.43SS*.SBendtrans-61.9-26.5175.800000112.6Y164A82-Y164 PolarHBondContact O-N 2.89Å
83T95.6Very high92.1Very high57 Ų5776.4 Ų76.435%0.3542%0.424SS..EExtended strand (participates in β ladder)trans-134.6129.417551.10000109.4A81 Y164 F166A81-T83 WeakPolarHBondContact CB-O 3.22Å; A81-T83 PolarHBondContact O-N 3.4Å; T83-Y164 CarbonylContact C-O 3.5Å; T83-Y164 VanDerWaalsContact CA-O 3.28Å; T83-Y164 WeakPolarHBondContact CA-O 3.45Å; T83-F166 HydrophobicContact CG2-CE2 4.15Å
84L94.4Very high92.9Very high26 Ų2669.3 Ų69.314%0.13639%0.386CS..EExtended strand (participates in β ladder)trans-119.1145.3175.7-66.6175.2000109.5P80 A81 T163 Y164 I165 F166P80-L84 HydrophobicContact CB-CD1 3.74Å; P80-L84 HydrophobicContact CB-CG 4.45Å; A81-L84 HydrophobicContact CB-CD2 4.02Å; L84-T163 HydrophobicContact CD1-CG2 4.44Å; L84-Y164 PolarHBondContact N-O 3.17Å; L84-I165 HydrophobicContact CB-CG1 4.38Å; L84-I165 HydrophobicContact CB-CG2 4.47Å; L84-I165 HydrophobicContact CD1-CG1 4.43Å; L84-I165 WeakPolarHBondContact O-CA 3.26Å; L84-F166 WeakPolarHBondContact O-CD2 3.33Å; L84-F166 PolarHBondContact O-N 2.82Å
85S95.1Very high93.9Very high66 Ų6662.7 Ų62.746%0.46236%0.356SS..EExtended strand (participates in β ladder)trans-120.6122.2172.3-176.60000108.6F166S85-F166 WeakPolarHBondContact CA-O 3.45Å
86L95.4Very high94.7Very high28 Ų2860.5 Ų60.515%0.14733%0.333CS..EExtended strand (participates in β ladder)trans-126.6158.4-177.9-61.5-179.2000109V92 I165 F166 F167 T168L86-V92 HydrophobicContact CD1-CG2 3.3Å; L86-I165 HydrophobicContact CB-CG2 4.47Å; L86-I165 HydrophobicContact CD1-CG2 3.73Å; L86-I165 HydrophobicContact CG-CG2 4.08Å; L86-F166 PolarHBondContact N-O 2.84Å; L86-F166 VanDerWaalsContact O-O 3.12Å; L86-F167 HydrophobicContact CB-CD1 4.05Å; L86-F167 HydrophobicContact CB-CE1 4.13Å; L86-F167 HydrophobicContact CD1-CE1 4.02Å; L86-F167 WeakPolarHBondContact O-CA 3.22Å; L86-T168 PolarHBondContact O-N 3Å; L86-T168 PolarHBondContact O-OG1 2.64Å
87L95.8Very high95Very high106 Ų10660 Ų6056%0.55534%0.336SS*.EExtended strand (participates in β ladder)trans-84.8141.2173.2-67.4168.4000109.1Q90L87-Q90 HydrophobicContact CB-CG 4.15Å; L87-Q90 VanDerWaalsContact O-CB 3.24Å; L87-Q90 WeakPolarHBondContact O-CB 3.4Å; L87-Q90 VanDerWaalsContact O-CG 3.27Å; L87-Q90 WeakPolarHBondContact O-CG 3.49Å; L87-Q90 PolarHBondContact O-N 2.77Å
88A95Very high95.1Very high31 Ų3155.6 Ų55.626%0.25632%0.323SS..THydrogen-bonded Turntrans-55.9148.4167.200000110.5Q90 T168 E169A88-Q90 VanDerWaalsContact C-N 3.26Å; A88-Q90 PolarHBondContact O-N 3.45Å; A88-T168 PolarHBondContact N-O 3.41Å; A88-E169 HydrophobicContact CB-CB 3.9Å; A88-E169 HydrophobicContact CB-CG 4.33Å
89G94.1Very high94.9Very high43 Ų4354.5 Ų54.544%0.44333%0.327SS..THydrogen-bonded Turntrans86.4-17.3-170.700000113.7S133G89-S133 PolarHBondContact N-O 3.38Å
90Q93.9Very high94.9Very high83 Ų8355.6 Ų55.639%0.38833%0.328SS..  trans-71154.9176-66.5-174.8-36.400111.5L87 A88 S133L87-Q90 HydrophobicContact CB-CG 4.15Å; L87-Q90 VanDerWaalsContact O-CB 3.24Å; L87-Q90 WeakPolarHBondContact O-CB 3.4Å; L87-Q90 VanDerWaalsContact O-CG 3.27Å; L87-Q90 WeakPolarHBondContact O-CG 3.49Å; L87-Q90 PolarHBondContact O-N 2.77Å; A88-Q90 VanDerWaalsContact C-N 3.26Å; A88-Q90 PolarHBondContact O-N 3.45Å; Q90-S133 PolarHBondContact N-OG 3.42Å; Q90-S133 VanDerWaalsContact O-CB 3.27Å; Q90-S133 WeakPolarHBondContact O-CB 3.34Å; Q90-S133 PolarHBondContact O-N 2.81Å; Q90-S133 VanDerWaalsContact O-N 3.16Å; Q90-S133 PolarHBondContact O-OG 2.94Å
91S94.3Very high94.9Very high79 Ų7955.7 Ų55.755%0.55233%0.328SS*.  trans-99.7143.7171.9-58.70000110.2L130S91-L130 CarbonylContact C-O 3.56Å; S91-L130 WeakPolarHBondContact CA-O 3.45Å
92V95.3Very high95Very high2 Ų253.6 Ų53.61%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-119.6130.4178.2-178.20000109.1L86 L94 T129 L130 I165 F167L86-V92 HydrophobicContact CD1-CG2 3.3Å; V92-L94 HydrophobicContact CG1-CD2 4.24Å; V92-L94 HydrophobicContact CG1-CG 4Å; V92-T129 CarbonylContact O-C 3.58Å; V92-T129 WeakPolarHBondContact O-CA 3.32Å; V92-L130 PolarHBondContact N-O 3.14Å; V92-L130 PolarHBondContact O-N 3.33Å; V92-I165 HydrophobicContact CG1-CD1 3.91Å; V92-F167 HydrophobicContact CG2-CE1 3.64Å; V92-F167 HydrophobicContact CG2-CZ 3.63Å
93E96.4Very high95.1Very high45 Ų4551.7 Ų51.721%0.2129%0.289CS..EExtended strand (participates in β ladder)trans-123.2120.2171-177.2-175.1164.400109.8V71 R95 Q127 L128V71-E93 HydrophobicContact CB-CB 3.99Å; V71-E93 HydrophobicContact CB-CG 3.94Å; V71-E93 HydrophobicContact CG2-CB 4.31Å; V71-E93 HydrophobicContact CG2-CG 3.76Å; V71-E93 PolarHBondContact N-O 2.75Å; E93-R95 IonicContact OE1-CZ 3.18Å; E93-R95 IonicContact OE1-NE 2.81Å; E93-R95 PolarHBondContact OE1-NE 2.98Å; E93-R95 IonicContact OE1-NH2 2.7Å; E93-R95 PolarHBondContact OE1-NH2 3.21Å; E93-Q127 HydrophobicContact CG-CG 4.2Å; E93-Q127 VanDerWaalsContact OE1-CD 3.23Å; E93-Q127 PolarHBondContact OE1-NE2 3.27Å; E93-Q127 VanDerWaalsContact OE1-NE2 3.15Å; E93-Q127 PolarHBondContact OE1-OE1 3.24Å; E93-L128 WeakPolarHBondContact CA-O 3.5Å
94L97.3Very high95.1Very high0 Ų051.6 Ų51.60%029%0.29CS..EExtended strand (participates in β ladder)trans-115.5138.8176.4-60.3175.7000109.3M68 M69 Q70 V92 W103 Q127 L128 F141 T163 I165M68-L94 HydrophobicContact CE-CD1 4.29Å; M68-L94 HydrophobicContact SD-CD1 4.13Å; M68-L94 HydrophobicContact SD-CD2 4.29Å; M69-L94 CarbonylContact O-C 3.49Å; M69-L94 WeakPolarHBondContact O-CA 3.48Å; Q70-L94 HydrophobicContact CB-CD2 4.07Å; Q70-L94 HydrophobicContact CG-CD2 4.27Å; V92-L94 HydrophobicContact CG1-CD2 4.24Å; V92-L94 HydrophobicContact CG1-CG 4Å; L94-W103 HydrophobicContact CB-CH2 3.88Å; L94-W103 HydrophobicContact CB-CZ3 4Å; L94-W103 HydrophobicContact CD1-CZ3 4.5Å; L94-Q127 WeakPolarHBondContact O-CA 3.48Å; L94-L128 PolarHBondContact N-O 2.96Å; L94-L128 PolarHBondContact O-N 2.81Å; L94-F141 HydrophobicContact CD1-CB 3.67Å; L94-F141 HydrophobicContact CD1-CD1 4.31Å; L94-F141 HydrophobicContact CD1-CG 4.18Å; L94-T163 HydrophobicContact CD1-CG2 4.17Å; L94-T163 HydrophobicContact CD2-CG2 4.48Å; L94-I165 HydrophobicContact CD1-CD1 4.36Å
95R97Very high95.2Very high56 Ų5652.4 Ų52.421%0.21129%0.292CS..EExtended strand (participates in β ladder)trans-127.4135.1175-65.3-175.3-173.6-175.54.8110.5M68 M69 V71 E93 Y125 G126 Q127M68-R95 CarbonylContact C-O 3.49Å; M68-R95 WeakPolarHBondContact CA-O 3.47Å; M69-R95 PolarHBondContact N-O 3.21Å; M69-R95 PolarHBondContact O-N 3.43Å; V71-R95 HydrophobicContact CG2-CG 3.87Å; E93-R95 IonicContact OE1-CZ 3.18Å; E93-R95 IonicContact OE1-NE 2.81Å; E93-R95 PolarHBondContact OE1-NE 2.98Å; E93-R95 IonicContact OE1-NH2 2.7Å; E93-R95 PolarHBondContact OE1-NH2 3.21Å; R95-Y125 HydrophobicContact CB-CD2 4.15Å; R95-Y125 HydrophobicContact CG-CD2 3.97Å; R95-Y125 HydrophobicContact CG-CE2 4.13Å; R95-Y125 PolarHBondContact NH1-OH 2.96Å; R95-G126 CarbonylContact C-O 3.59Å; R95-G126 VanDerWaalsContact CA-O 3.25Å; R95-G126 WeakPolarHBondContact CA-O 3.28Å; R95-Q127 HydrophobicContact CG-CB 4.22Å; R95-Q127 HydrophobicContact CG-CG 4.13Å
96C97.1Very high95.1Very high0 Ų050.1 Ų50.10%028%0.275CS..EExtended strand (participates in β ladder)trans-118.3126176.5-67.90000111.1I67 G98 I101 W103 Y125 G126 C143I67-C96 HydrophobicContact CD1-CB 3.97Å; I67-C96 HydrophobicContact CG1-CB 4.18Å; I67-C96 WeakPolarHBondContact O-CA 3.13Å; C96-G98 PolarHBondContact O-N 3.41Å; C96-I101 HydrophobicContact CB-CD1 4.36Å; C96-I101 HydrophobicContact CB-CG1 4.4Å; C96-I101 HydrophobicContact CB-CG2 3.97Å; C96-W103 HydrophobicContact CB-CH2 4.21Å; C96-W103 HydrophobicContact CB-CZ2 4.08Å; C96-W103 WeakPolarHBondContact SG-CH2 3.43Å; C96-Y125 CarbonylContact O-C 3.55Å; C96-Y125 WeakPolarHBondContact O-CA 3.45Å; C96-Y125 VanDerWaalsContact O-CB 3.25Å; C96-Y125 WeakPolarHBondContact O-CB 3.27Å; C96-G126 PolarHBondContact N-O 3.38Å; C96-G126 PolarHBondContact O-N 3.03Å; C96-C143 HydrophobicContact CB-CB 3.71Å; C96-C143 WeakPolarHBondContact CB-SG 3.25Å; C96-C143 WeakPolarHBondContact SG-CB 3.27Å; C96-C143 CovalentContact SG-SG 2Å; C96-C143 PolarHBondContact SG-SG 2.9Å
97K95.5Very high94.9Very high163 Ų16352.4 Ų52.471%0.70930%0.298SS*.EExtended strand (participates in β ladder)trans-69.6123.6-176-173.8-179178.3-177.40111.1I67I67-K97 PolarHBondContact O-N 3.32Å
98G93.3Very high94.4Very high22 Ų2251.4 Ų51.423%0.22729%0.288CS..SBendtrans149.916017800000112.6C96 Q121 R124 Y125C96-G98 PolarHBondContact O-N 3.41Å; G98-Q121 PolarHBondContact O-NE2 3.42Å; G98-R124 PolarHBondContact N-O 2.05Å; G98-R124 CarbonylContact O-C 3.49Å; G98-Y125 CarbonylContact O-C 3.56Å; G98-Y125 WeakPolarHBondContact O-CA 3.1Å; G98-Y125 PolarHBondContact O-N 3.13Å; G98-Y125 VanDerWaalsContact O-N 3.09Å
99S90.8Very high94.2Very high86 Ų8649.9 Ų49.960%0.60128%0.276SS*.SBendtrans-86.5-19.8-176.652.10000114.2Q121 E123S99-Q121 PolarHBondContact O-NE2 3.19Å; S99-Q121 VanDerWaalsContact O-NE2 3.13Å; S99-E123 WeakPolarHBondContact CA-O 3.47Å; S99-E123 WeakPolarHBondContact CB-O 3.1Å
100R92.4Very high93.8Very high137 Ų13752.1 Ų52.152%0.51728%0.277SS..SBendtrans-138.7107.1173.8-65.3-172.4-178.2-176.61.4109.1Q146 C148R100-Q146 HydrophobicContact CB-CB 4.19Å; R100-Q146 PolarHBondContact O-N 2.8Å; R100-C148 VanDerWaalsContact NH1-CB 3.33Å; R100-C148 PolarHBondContact NH1-SG 2.78Å; R100-C148 VanDerWaalsContact NH1-SG 3.41Å
101I96.2Very high93.1Very high14 Ų1452.5 Ų52.57%0.07229%0.285CS..EExtended strand (participates in β ladder)trans-116.8126.2-175.2-59.3-57.9000110.2I67 C96 W103 C143 W144I67-I101 HydrophobicContact CD1-CD1 4.05Å; C96-I101 HydrophobicContact CB-CD1 4.36Å; C96-I101 HydrophobicContact CB-CG1 4.4Å; C96-I101 HydrophobicContact CB-CG2 3.97Å; I101-W103 HydrophobicContact CG2-CD2 4.42Å; I101-W103 HydrophobicContact CG2-CG 4.46Å; I101-W103 HydrophobicContact CG2-CZ2 4.29Å; I101-C143 HydrophobicContact CG2-CB 3.9Å; I101-W144 CarbonylContact C-O 3.55Å; I101-W144 WeakPolarHBondContact CA-O 3.49Å
102G95.7Very high92.1Very high9 Ų957.4 Ų57.49%0.09330%0.297CS..EExtended strand (participates in β ladder)trans-86.6148.2162.700000110.7C143 W144G102-C143 CarbonylContact O-C 3.57Å; G102-C143 WeakPolarHBondContact O-CA 3.34Å; G102-W144 PolarHBondContact N-O 3.12Å; G102-W144 PolarHBondContact O-N 3.39Å
103W96.4Very high91.1Very high32 Ų3266.5 Ų66.512%0.12134%0.337CS..EExtended strand (participates in β ladder)trans-126.1149.5179.1-71.992.3000110.7M68 L94 C96 I101 Y105 V119 L128 S142 C143 W144M68-W103 HydrophobicContact CE-CZ3 4.07Å; L94-W103 HydrophobicContact CB-CH2 3.88Å; L94-W103 HydrophobicContact CB-CZ3 4Å; L94-W103 HydrophobicContact CD1-CZ3 4.5Å; C96-W103 HydrophobicContact CB-CH2 4.21Å; C96-W103 HydrophobicContact CB-CZ2 4.08Å; C96-W103 WeakPolarHBondContact SG-CH2 3.43Å; I101-W103 HydrophobicContact CG2-CD2 4.42Å; I101-W103 HydrophobicContact CG2-CG 4.46Å; I101-W103 HydrophobicContact CG2-CZ2 4.29Å; W103-Y105 HydrophobicContact CB-CD1 4.24Å; W103-Y105 HydrophobicContact CB-CE1 4.17Å; W103-V119 HydrophobicContact CG-CG1 4.05Å; W103-L128 HydrophobicContact CD2-CB 3.97Å; W103-L128 HydrophobicContact CD2-CD1 4.03Å; W103-L128 HydrophobicContact CE3-CB 3.75Å; W103-L128 HydrophobicContact CE3-CD1 3.56Å; W103-L128 HydrophobicContact CE3-CG 4.31Å; W103-L128 HydrophobicContact CG-CD1 4.47Å; W103-L128 HydrophobicContact CH2-CB 3.73Å; W103-L128 HydrophobicContact CZ2-CB 3.94Å; W103-L128 HydrophobicContact CZ3-CB 3.62Å; W103-L128 HydrophobicContact CZ3-CD1 4.07Å; W103-L128 HydrophobicContact CZ3-CG 4.44Å; W103-S142 CarbonylContact C-O 3.52Å; W103-S142 WeakPolarHBondContact CA-O 3.41Å; W103-C143 HydrophobicContact CD2-CB 3.92Å; W103-C143 HydrophobicContact CE3-CB 3.68Å; W103-C143 HydrophobicContact CH2-CB 4.06Å; W103-C143 HydrophobicContact CZ2-CB 4.26Å; W103-C143 HydrophobicContact CZ3-CB 3.77Å; W103-W144 VanDerWaalsContact O-CH2 3.31Å; W103-W144 WeakPolarHBondContact O-CH2 3.49Å
104S96.3Very high90.4Very high55 Ų5566.4 Ų66.439%0.38534%0.337SS..EExtended strand (participates in β ladder)trans-139.3139166.31650000108.6F141 S142S104-F141 WeakPolarHBondContact O-CA 3.36Å; S104-S142 WeakPolarHBondContact CB-OG 3.31Å; S104-S142 PolarHBondContact N-O 2.81Å; S104-S142 PolarHBondContact O-N 2.85Å
105Y95.6Very high90Very high43 Ų4372 Ų7217%0.16938%0.377CS..  trans-153.4174.3-176.645.2-98.7000107.5W103 A107 L109 D110 I117 V119 L128 E140W103-Y105 HydrophobicContact CB-CD1 4.24Å; W103-Y105 HydrophobicContact CB-CE1 4.17Å; Y105-A107 PolarHBondContact O-N 3.24Å; Y105-A107 VanDerWaalsContact O-N 3.1Å; Y105-L109 HydrophobicContact CD2-CB 4.24Å; Y105-L109 HydrophobicContact CD2-CD1 4.26Å; Y105-L109 HydrophobicContact CE2-CB 4.26Å; Y105-D110 VanDerWaalsContact CE2-OD1 3.27Å; Y105-D110 WeakPolarHBondContact CE2-OD1 3.33Å; Y105-D110 PolarHBondContact OH-OD1 2.89Å; Y105-I117 HydrophobicContact CD1-CD1 4.04Å; Y105-I117 HydrophobicContact CD2-CD1 3.57Å; Y105-I117 HydrophobicContact CE1-CD1 4.13Å; Y105-I117 HydrophobicContact CE2-CD1 3.68Å; Y105-I117 HydrophobicContact CG-CD1 3.75Å; Y105-V119 HydrophobicContact CE1-CG2 3.91Å; Y105-L128 HydrophobicContact CD1-CD1 3.45Å; Y105-L128 VanDerWaalsContact CD1-CD1 3.45Å; Y105-L128 HydrophobicContact CE1-CD1 4.06Å; Y105-L128 HydrophobicContact CG-CD1 4.19Å; Y105-E140 WeakPolarHBondContact CA-O 3.36Å
106P94.1Very high89.9Confident18 Ų1871.2 Ų71.212%0.11737%0.374CS..  trans-52.6119.1179.7-29.938.1000112.6Y108 L109 F141P106-Y108 HydrophobicContact CB-CD1 3.73Å; P106-Y108 HydrophobicContact CB-CE1 3.8Å; P106-Y108 PolarHBondContact O-N 2.93Å; P106-L109 WeakPolarHBondContact O-CB 3.16Å; P106-L109 PolarHBondContact O-N 2.9Å; P106-L109 VanDerWaalsContact O-N 3.17Å; P106-F141 HydrophobicContact CG-CE2 4.4Å; P106-F141 HydrophobicContact CG-CZ 4.4Å
107A89.9Confident89.8Confident76 Ų7672.3 Ų72.363%0.62838%0.379SS*.G310 helixtrans-60.4-24.7-168.300000114.4Y105 L109 D110Y105-A107 PolarHBondContact O-N 3.24Å; Y105-A107 VanDerWaalsContact O-N 3.1Å; A107-L109 PolarHBondContact O-N 3.19Å; A107-L109 VanDerWaalsContact O-N 3.15Å; A107-D110 PolarHBondContact O-N 3.41Å
108Y86.6Confident89.8Confident85 Ų8566.7 Ų66.733%0.33336%0.361SS..G310 helixtrans-63.4-21.1-179.288.4-82.1000113.4P106 D110 T111 A136 D137P106-Y108 HydrophobicContact CB-CD1 3.73Å; P106-Y108 HydrophobicContact CB-CE1 3.8Å; P106-Y108 PolarHBondContact O-N 2.93Å; Y108-D110 VanDerWaalsContact C-N 3.25Å; Y108-D110 PolarHBondContact O-N 2.85Å; Y108-T111 WeakPolarHBondContact CA-OG1 3.25Å; Y108-T111 PolarHBondContact O-N 2.86Å; Y108-T111 PolarHBondContact O-OG1 3.09Å; Y108-T111 VanDerWaalsContact O-OG1 3.13Å; Y108-A136 HydrophobicContact CE1-CB 4.48Å; Y108-A136 WeakPolarHBondContact CE1-O 3.39Å; Y108-A136 HydrophobicContact CE2-CB 4.2Å; Y108-A136 WeakPolarHBondContact OH-CB 3.43Å; Y108-D137 WeakPolarHBondContact OH-CA 3.48Å; Y108-D137 PolarHBondContact OH-N 2.79Å; Y108-D137 VanDerWaalsContact OH-N 3.11Å; Y108-D137 PolarHBondContact OH-OD1 2.88Å
109L89.2Confident89.9Confident0 Ų068.8 Ų68.80%037%0.369CS..G310 helixtrans-68.5-23.6175.2-74.9167.5000112.7Y105 P106 A107 D114 R116 I117 L130 D137Y105-L109 HydrophobicContact CD2-CB 4.24Å; Y105-L109 HydrophobicContact CD2-CD1 4.26Å; Y105-L109 HydrophobicContact CE2-CB 4.26Å; P106-L109 WeakPolarHBondContact O-CB 3.16Å; P106-L109 PolarHBondContact O-N 2.9Å; P106-L109 VanDerWaalsContact O-N 3.17Å; A107-L109 PolarHBondContact O-N 3.19Å; A107-L109 VanDerWaalsContact O-N 3.15Å; L109-D114 HydrophobicContact CD2-CB 4.21Å; L109-D114 WeakPolarHBondContact O-CB 3.13Å; L109-D114 PolarHBondContact O-N 2.86Å; L109-R116 VanDerWaalsContact CD2-NH2 3.28Å; L109-I117 HydrophobicContact CB-CD1 4.45Å; L109-I117 HydrophobicContact CB-CG2 4.17Å; L109-I117 HydrophobicContact CD1-CD1 3.8Å; L109-L130 HydrophobicContact CD1-CD1 4.39Å; L109-L130 HydrophobicContact CD2-CD1 4.3Å; L109-D137 WeakPolarHBondContact CD2-OD1 3.17Å
110D87Confident90.1Very high90 Ų9070.8 Ų70.848%0.48137%0.367SS..THydrogen-bonded Turntrans-83.1-23.7177.5-67.1-40.7000112.5Y105 A107 Y108 F112 K113Y105-D110 VanDerWaalsContact CE2-OD1 3.27Å; Y105-D110 WeakPolarHBondContact CE2-OD1 3.33Å; Y105-D110 PolarHBondContact OH-OD1 2.89Å; A107-D110 PolarHBondContact O-N 3.41Å; Y108-D110 VanDerWaalsContact C-N 3.25Å; Y108-D110 PolarHBondContact O-N 2.85Å; D110-F112 PolarHBondContact O-N 2.93Å; D110-K113 PolarHBondContact O-N 2Å
111T78.9Confident90.3Very high90 Ų9068.5 Ų68.555%0.55236%0.362SS*.THydrogen-bonded Turntrans-58.3-27-169.5-41.90000113.7Y108Y108-T111 WeakPolarHBondContact CA-OG1 3.25Å; Y108-T111 PolarHBondContact O-N 2.86Å; Y108-T111 PolarHBondContact O-OG1 3.09Å; Y108-T111 VanDerWaalsContact O-OG1 3.13Å
112F73.7Confident90.1Very high183 Ų18371 Ų7180%0.80338%0.376SS*.THydrogen-bonded Turntrans-132.521.2-179.7-60.1-71.2000114.3D110 D114D110-F112 PolarHBondContact O-N 2.93Å; F112-D114 VanDerWaalsContact C-N 3.28Å; F112-D114 PolarHBondContact O-N 2.83Å
113K74.3Confident89.9Confident193 Ų19378.9 Ų78.984%0.83941%0.41SS*.THydrogen-bonded Turntrans4755.4-171.4-62-179178.8177.80110.8D110 S115D110-K113 PolarHBondContact O-N 2Å; K113-S115 PolarHBondContact O-N 2.78Å; K113-S115 VanDerWaalsContact O-N 3.13Å
114D82.1Confident89.8Confident42 Ų4287 Ų8723%0.22544%0.44CS..  trans-54.5121.2-174.3-169.4-32.8000109.9L109 F112 R116 I117L109-D114 HydrophobicContact CD2-CB 4.21Å; L109-D114 WeakPolarHBondContact O-CB 3.13Å; L109-D114 PolarHBondContact O-N 2.86Å; F112-D114 VanDerWaalsContact C-N 3.28Å; F112-D114 PolarHBondContact O-N 2.83Å; D114-R116 PolarHBondContact O-N 2.81Å; D114-R116 VanDerWaalsContact O-N 3.12Å; D114-R116 WeakPolarHBondContact OD1-CB 2.99Å; D114-R116 WeakPolarHBondContact OD1-CG 3.49Å; D114-R116 PolarHBondContact OD1-N 2.83Å; D114-R116 IonicContact OD1-NE 2.88Å; D114-R116 PolarHBondContact OD1-NE 2.7Å; D114-R116 IonicContact OD2-CZ 3.35Å; D114-R116 VanDerWaalsContact OD2-CZ 3.26Å; D114-R116 IonicContact OD2-NE 3.28Å; D114-R116 PolarHBondContact OD2-NE 2.85Å; D114-R116 IonicContact OD2-NH2 3.63Å; D114-R116 PolarHBondContact OD2-NH2 3.49Å; D114-I117 HydrophobicContact CB-CG2 4.4Å; D114-I117 WeakPolarHBondContact O-CG2 3.42Å; D114-I117 PolarHBondContact O-N 2.86Å
115S88.8Confident89.8Confident119 Ų11987.3 Ų87.383%0.83243%0.434SS*.THydrogen-bonded Turntrans-66.4-13.9-176.660.70000112.9K113K113-S115 PolarHBondContact O-N 2.78Å; K113-S115 VanDerWaalsContact O-N 3.13Å
116R93.6Very high89.8Confident39 Ų3985.2 Ų85.215%0.14743%0.425CS..THydrogen-bonded Turntrans-71.1-28.4176.3-64.5-177.7-55.4124.93.4113.1L109 D114 L130 V131 N132 D137L109-R116 VanDerWaalsContact CD2-NH2 3.28Å; D114-R116 PolarHBondContact O-N 2.81Å; D114-R116 VanDerWaalsContact O-N 3.12Å; D114-R116 WeakPolarHBondContact OD1-CB 2.99Å; D114-R116 WeakPolarHBondContact OD1-CG 3.49Å; D114-R116 PolarHBondContact OD1-N 2.83Å; D114-R116 IonicContact OD1-NE 2.88Å; D114-R116 PolarHBondContact OD1-NE 2.7Å; D114-R116 IonicContact OD2-CZ 3.35Å; D114-R116 VanDerWaalsContact OD2-CZ 3.26Å; D114-R116 IonicContact OD2-NE 3.28Å; D114-R116 PolarHBondContact OD2-NE 2.85Å; D114-R116 IonicContact OD2-NH2 3.63Å; D114-R116 PolarHBondContact OD2-NH2 3.49Å; R116-L130 HydrophobicContact CB-CD1 4.18Å; R116-L130 CarbonylContact O-C 3.54Å; R116-L130 WeakPolarHBondContact O-CA 3.35Å; R116-V131 HydrophobicContact CB-CG2 4.22Å; R116-V131 WeakPolarHBondContact CB-O 3Å; R116-V131 WeakPolarHBondContact O-CG2 3.25Å; R116-V131 PolarHBondContact O-N 2.77Å; R116-N132 PolarHBondContact NH1-O 2.88Å; R116-D137 IonicContact CZ-OD2 2.91Å; R116-D137 IonicContact NH1-OD1 3.3Å; R116-D137 IonicContact NH1-OD2 2.68Å; R116-D137 PolarHBondContact NH1-OD2 3.15Å; R116-D137 IonicContact NH2-OD1 2.97Å; R116-D137 IonicContact NH2-OD2 3.22Å
117I94.9Very high90Very high23 Ų2385.8 Ų85.812%0.11843%0.427CS..EExtended strand (participates in β ladder)trans-100.7135178.9-169.8155.5000111Y105 L109 D114 L128 T129 L130Y105-I117 HydrophobicContact CD1-CD1 4.04Å; Y105-I117 HydrophobicContact CD2-CD1 3.57Å; Y105-I117 HydrophobicContact CE1-CD1 4.13Å; Y105-I117 HydrophobicContact CE2-CD1 3.68Å; Y105-I117 HydrophobicContact CG-CD1 3.75Å; L109-I117 HydrophobicContact CB-CD1 4.45Å; L109-I117 HydrophobicContact CB-CG2 4.17Å; L109-I117 HydrophobicContact CD1-CD1 3.8Å; D114-I117 HydrophobicContact CB-CG2 4.4Å; D114-I117 WeakPolarHBondContact O-CG2 3.42Å; D114-I117 PolarHBondContact O-N 2.86Å; I117-L128 HydrophobicContact CD1-CD1 4.31Å; I117-L128 HydrophobicContact CD1-CG 4.47Å; I117-T129 CarbonylContact C-O 3.59Å; I117-T129 WeakPolarHBondContact CA-O 3.42Å; I117-L130 HydrophobicContact CB-CD1 4.22Å
118S95Very high90.3Very high45 Ų4582.2 Ų82.232%0.31540%0.397SS..EExtended strand (participates in β ladder)trans-137.4123.5177.2-169.80000110.2K120 L128 T129S118-K120 WeakPolarHBondContact OG-CE 3.25Å; S118-L128 CarbonylContact O-C 3.47Å; S118-L128 WeakPolarHBondContact O-CA 3.5Å; S118-T129 PolarHBondContact N-O 2.91Å; S118-T129 PolarHBondContact O-N 3.03Å
119V95.6Very high90.8Very high66 Ų6679.6 Ų79.640%0.439%0.39SS..EExtended strand (participates in β ladder)trans-111.3124.1172.7-178.60000108.7W103 Y105 Q127 L128W103-V119 HydrophobicContact CG-CG1 4.05Å; Y105-V119 HydrophobicContact CE1-CG2 3.91Å; V119-Q127 CarbonylContact C-O 3.53Å; V119-Q127 WeakPolarHBondContact CA-O 3.44Å; V119-L128 HydrophobicContact CG2-CD1 4.16Å; V119-L128 HydrophobicContact CG2-CG 4.22Å
120K95.8Very high91.1Very high128 Ų12879.6 Ų79.656%0.55739%0.39SS*.EExtended strand (participates in β ladder)trans-129137.6-179-63.9-177.5-177.9177.40110.2S118 G126 Q127S118-K120 WeakPolarHBondContact OG-CE 3.25Å; K120-G126 CarbonylContact O-C 3.52Å; K120-Q127 PolarHBondContact N-O 2.88Å; K120-Q127 PolarHBondContact O-N 2.82Å
121Q95.8Very high91.5Very high89 Ų8978.2 Ų78.242%0.41639%0.385SS..EExtended strand (participates in β ladder)trans-102.9122173.1-176.763.758.600109.6G98 S99 Y125G98-Q121 PolarHBondContact O-NE2 3.42Å; S99-Q121 PolarHBondContact O-NE2 3.19Å; S99-Q121 VanDerWaalsContact O-NE2 3.13Å; Q121-Y125 PolarHBondContact NE2-O 2.78Å
122N93.8Very high92.3Very high67 Ų6778.8 Ų78.836%0.35838%0.384SS..  trans-102.8171.3169.2-65.777.4000109.9R124 Y125N122-R124 VanDerWaalsContact C-N 3.25Å; N122-R124 PolarHBondContact O-N 2.87Å; N122-Y125 CarbonylContact C-O 3.6Å; N122-Y125 WeakPolarHBondContact CA-O 3.37Å; N122-Y125 HydrophobicContact CB-CD1 4.29Å; N122-Y125 HydrophobicContact CB-CD2 4.35Å; N122-Y125 HydrophobicContact CB-CE1 4.07Å; N122-Y125 HydrophobicContact CB-CE2 4.12Å; N122-Y125 HydrophobicContact CB-CG 4.42Å; N122-Y125 WeakPolarHBondContact CB-O 3.41Å; N122-Y125 PolarHBondContact N-O 3.29Å
123E91.4Very high93.3Very high174 Ų17470.2 Ų70.281%0.81335%0.347SS*.SBendtrans-59.1-34-177.9-64.8-174.1166.700114.1S99S99-E123 WeakPolarHBondContact CA-O 3.47Å; S99-E123 WeakPolarHBondContact CB-O 3.1Å
124R93.6Very high94.2Very high201 Ų20163.2 Ų63.276%0.75832%0.32SS*.SBendtrans-114-11.1-172.4-62.8-171.9-178.6-172.30.4114.6G98 N122G98-R124 PolarHBondContact N-O 2.05Å; G98-R124 CarbonylContact O-C 3.49Å; N122-R124 VanDerWaalsContact C-N 3.25Å; N122-R124 PolarHBondContact O-N 2.87Å
125Y95.6Very high94.9Very high62 Ų6261.5 Ų61.524%0.24331%0.312CS..EExtended strand (participates in β ladder)trans-156.2152.1-179.462.2-89.8000111.5R95 C96 G98 Q121 N122 Q127R95-Y125 HydrophobicContact CB-CD2 4.15Å; R95-Y125 HydrophobicContact CG-CD2 3.97Å; R95-Y125 HydrophobicContact CG-CE2 4.13Å; R95-Y125 PolarHBondContact NH1-OH 2.96Å; C96-Y125 CarbonylContact O-C 3.55Å; C96-Y125 WeakPolarHBondContact O-CA 3.45Å; C96-Y125 VanDerWaalsContact O-CB 3.25Å; C96-Y125 WeakPolarHBondContact O-CB 3.27Å; G98-Y125 CarbonylContact O-C 3.56Å; G98-Y125 WeakPolarHBondContact O-CA 3.1Å; G98-Y125 PolarHBondContact O-N 3.13Å; G98-Y125 VanDerWaalsContact O-N 3.09Å; Q121-Y125 PolarHBondContact NE2-O 2.78Å; N122-Y125 CarbonylContact C-O 3.6Å; N122-Y125 WeakPolarHBondContact CA-O 3.37Å; N122-Y125 HydrophobicContact CB-CD1 4.29Å; N122-Y125 HydrophobicContact CB-CD2 4.35Å; N122-Y125 HydrophobicContact CB-CE1 4.07Å; N122-Y125 HydrophobicContact CB-CE2 4.12Å; N122-Y125 HydrophobicContact CB-CG 4.42Å; N122-Y125 WeakPolarHBondContact CB-O 3.41Å; N122-Y125 PolarHBondContact N-O 3.29Å; Y125-Q127 HydrophobicContact CD2-CB 4.16Å; Y125-Q127 HydrophobicContact CE2-CB 3.97Å
126G96.9Very high95.1Very high0 Ų057 Ų570%028%0.281CS..EExtended strand (participates in β ladder)trans-88.3147.416000000109.7R95 C96 K120R95-G126 CarbonylContact C-O 3.59Å; R95-G126 VanDerWaalsContact CA-O 3.25Å; R95-G126 WeakPolarHBondContact CA-O 3.28Å; C96-G126 PolarHBondContact N-O 3.38Å; C96-G126 PolarHBondContact O-N 3.03Å; K120-G126 CarbonylContact O-C 3.52Å
127Q97Very high95.2Very high30 Ų3055.1 Ų55.114%0.1427%0.274CS..EExtended strand (participates in β ladder)trans-127.3131.6178.4178.7173.5-33.900110E93 L94 R95 V119 K120 Y125 T129E93-Q127 HydrophobicContact CG-CG 4.2Å; E93-Q127 VanDerWaalsContact OE1-CD 3.23Å; E93-Q127 PolarHBondContact OE1-NE2 3.27Å; E93-Q127 VanDerWaalsContact OE1-NE2 3.15Å; E93-Q127 PolarHBondContact OE1-OE1 3.24Å; L94-Q127 WeakPolarHBondContact O-CA 3.48Å; R95-Q127 HydrophobicContact CG-CB 4.22Å; R95-Q127 HydrophobicContact CG-CG 4.13Å; V119-Q127 CarbonylContact C-O 3.53Å; V119-Q127 WeakPolarHBondContact CA-O 3.44Å; K120-Q127 PolarHBondContact N-O 2.88Å; K120-Q127 PolarHBondContact O-N 2.82Å; Y125-Q127 HydrophobicContact CD2-CB 4.16Å; Y125-Q127 HydrophobicContact CE2-CB 3.97Å; Q127-T129 PolarHBondContact NE2-OG1 3.41Å
128L97.3Very high95.3Very high0 Ų054 Ų540%027%0.269CS..EExtended strand (participates in β ladder)trans-116.4129.2169.5-178154.3000108.3E93 L94 W103 Y105 I117 S118 V119 F141E93-L128 WeakPolarHBondContact CA-O 3.5Å; L94-L128 PolarHBondContact N-O 2.96Å; L94-L128 PolarHBondContact O-N 2.81Å; W103-L128 HydrophobicContact CD2-CB 3.97Å; W103-L128 HydrophobicContact CD2-CD1 4.03Å; W103-L128 HydrophobicContact CE3-CB 3.75Å; W103-L128 HydrophobicContact CE3-CD1 3.56Å; W103-L128 HydrophobicContact CE3-CG 4.31Å; W103-L128 HydrophobicContact CG-CD1 4.47Å; W103-L128 HydrophobicContact CH2-CB 3.73Å; W103-L128 HydrophobicContact CZ2-CB 3.94Å; W103-L128 HydrophobicContact CZ3-CB 3.62Å; W103-L128 HydrophobicContact CZ3-CD1 4.07Å; W103-L128 HydrophobicContact CZ3-CG 4.44Å; Y105-L128 HydrophobicContact CD1-CD1 3.45Å; Y105-L128 VanDerWaalsContact CD1-CD1 3.45Å; Y105-L128 HydrophobicContact CE1-CD1 4.06Å; Y105-L128 HydrophobicContact CG-CD1 4.19Å; I117-L128 HydrophobicContact CD1-CD1 4.31Å; I117-L128 HydrophobicContact CD1-CG 4.47Å; S118-L128 CarbonylContact O-C 3.47Å; S118-L128 WeakPolarHBondContact O-CA 3.5Å; V119-L128 HydrophobicContact CG2-CD1 4.16Å; V119-L128 HydrophobicContact CG2-CG 4.22Å; L128-F141 HydrophobicContact CD1-CD1 4.32Å; L128-F141 HydrophobicContact CD2-CD1 4.03Å; L128-F141 HydrophobicContact CD2-CE1 4.2Å
129T96.1Very high95.4Very high30 Ų3052 Ų5218%0.18426%0.255CS..EExtended strand (participates in β ladder)trans-125.3127.6175.1-56.50000109V92 I117 S118 Q127 V131V92-T129 CarbonylContact O-C 3.58Å; V92-T129 WeakPolarHBondContact O-CA 3.32Å; I117-T129 CarbonylContact C-O 3.59Å; I117-T129 WeakPolarHBondContact CA-O 3.42Å; S118-T129 PolarHBondContact N-O 2.91Å; S118-T129 PolarHBondContact O-N 3.03Å; Q127-T129 PolarHBondContact NE2-OG1 3.41Å; T129-V131 HydrophobicContact CG2-CG1 4.04Å
130L96.6Very high95.4Very high0 Ų053.5 Ų53.50%026%0.257CS..EExtended strand (participates in β ladder)trans-117.7115.8171.3176.565.4000107.9S91 V92 L109 R116 I117 D137 F141 F167S91-L130 CarbonylContact C-O 3.56Å; S91-L130 WeakPolarHBondContact CA-O 3.45Å; V92-L130 PolarHBondContact N-O 3.14Å; V92-L130 PolarHBondContact O-N 3.33Å; L109-L130 HydrophobicContact CD1-CD1 4.39Å; L109-L130 HydrophobicContact CD2-CD1 4.3Å; R116-L130 HydrophobicContact CB-CD1 4.18Å; R116-L130 CarbonylContact O-C 3.54Å; R116-L130 WeakPolarHBondContact O-CA 3.35Å; I117-L130 HydrophobicContact CB-CD1 4.22Å; L130-D137 HydrophobicContact CD2-CB 3.87Å; L130-F141 HydrophobicContact CD2-CE1 4.31Å; L130-F141 HydrophobicContact CD2-CZ 3.99Å; L130-F167 HydrophobicContact CD2-CE2 4.19Å; L130-F167 HydrophobicContact CD2-CZ 3.94Å
131V95.4Very high95.5Very high62 Ų6247.4 Ų47.438%0.37623%0.231SC..  trans-101.4153.2176.8-61.20000111.1R116 T129 S133R116-V131 HydrophobicContact CB-CG2 4.22Å; R116-V131 WeakPolarHBondContact CB-O 3Å; R116-V131 WeakPolarHBondContact O-CG2 3.25Å; R116-V131 PolarHBondContact O-N 2.77Å; T129-V131 HydrophobicContact CG2-CG1 4.04Å; V131-S133 PolarHBondContact O-N 3.27Å
132N93.9Very high95.6Very high102 Ų10243.9 Ų43.955%0.54522%0.216SC..SBendtrans49.458.4178.2-166.328000112.3R116R116-N132 PolarHBondContact NH1-O 2.88Å
133S95.2Very high95.7Very high2 Ų240.7 Ų40.71%0.01420%0.199CC..  trans-64.1156.3-179.1580000112.4G89 Q90 V131 D137 F167G89-S133 PolarHBondContact N-O 3.38Å; Q90-S133 PolarHBondContact N-OG 3.42Å; Q90-S133 VanDerWaalsContact O-CB 3.27Å; Q90-S133 WeakPolarHBondContact O-CB 3.34Å; Q90-S133 PolarHBondContact O-N 2.81Å; Q90-S133 VanDerWaalsContact O-N 3.16Å; Q90-S133 PolarHBondContact O-OG 2.94Å; V131-S133 PolarHBondContact O-N 3.27Å; S133-D137 WeakPolarHBondContact CA-OD2 3.47Å; S133-F167 WeakPolarHBondContact OG-CD1 3.4Å; S133-F167 VanDerWaalsContact OG-CE1 3.25Å; S133-F167 WeakPolarHBondContact OG-CE1 3.39Å
134T94.6Very high96Very high46 Ų4634.7 Ų34.728%0.28217%0.169SC..  trans-132.3165.6-178.764.20000109.5A136 D137 F167T134-A136 PolarHBondContact O-N 3.15Å; T134-D137 PolarHBondContact N-OD2 3.27Å; T134-D137 WeakPolarHBondContact O-CB 3.5Å; T134-D137 PolarHBondContact O-N 2.84Å; T134-D137 PolarHBondContact OG1-OD2 3.12Å; T134-F167 WeakPolarHBondContact O-CB 3.3Å
135S94.9Very high96.1Very high7 Ų725.5 Ų25.55%0.04914%0.137CC..G310 helixtrans-54.7-32.8173.144.50000113.3D137 T138 E169S135-D137 VanDerWaalsContact C-N 3.26Å; S135-D137 PolarHBondContact O-N 2.81Å; S135-T138 VanDerWaalsContact O-CB 3.3Å; S135-T138 WeakPolarHBondContact O-CB 3.39Å; S135-T138 PolarHBondContact O-N 2.85Å; S135-T138 PolarHBondContact O-OG1 3.08Å; S135-E169 PolarHBondContact OG-OE2 2.85Å
136A94Very high96Very high23 Ų2326 Ų2619%0.1914%0.141CC..G310 helixtrans-63.3-26175.100000114Y108 T134 T138 P176Y108-A136 HydrophobicContact CE1-CB 4.48Å; Y108-A136 WeakPolarHBondContact CE1-O 3.39Å; Y108-A136 HydrophobicContact CE2-CB 4.2Å; Y108-A136 WeakPolarHBondContact OH-CB 3.43Å; T134-A136 PolarHBondContact O-N 3.15Å; A136-T138 PolarHBondContact O-N 3.1Å; A136-P176 HydrophobicContact CB-CG 4.36Å
137D95.2Very high95.7Very high0 Ų030.8 Ų30.80%017%0.166CC..G310 helixtrans-72.6-4.6178.3-65.8-57.4000113.4Y108 L109 R116 L130 S133 T134 S135 G139 F167Y108-D137 WeakPolarHBondContact OH-CA 3.48Å; Y108-D137 PolarHBondContact OH-N 2.79Å; Y108-D137 VanDerWaalsContact OH-N 3.11Å; Y108-D137 PolarHBondContact OH-OD1 2.88Å; L109-D137 WeakPolarHBondContact CD2-OD1 3.17Å; R116-D137 IonicContact CZ-OD2 2.91Å; R116-D137 IonicContact NH1-OD1 3.3Å; R116-D137 IonicContact NH1-OD2 2.68Å; R116-D137 PolarHBondContact NH1-OD2 3.15Å; R116-D137 IonicContact NH2-OD1 2.97Å; R116-D137 IonicContact NH2-OD2 3.22Å; L130-D137 HydrophobicContact CD2-CB 3.87Å; S133-D137 WeakPolarHBondContact CA-OD2 3.47Å; T134-D137 PolarHBondContact N-OD2 3.27Å; T134-D137 WeakPolarHBondContact O-CB 3.5Å; T134-D137 PolarHBondContact O-N 2.84Å; T134-D137 PolarHBondContact OG1-OD2 3.12Å; S135-D137 VanDerWaalsContact C-N 3.26Å; S135-D137 PolarHBondContact O-N 2.81Å; D137-G139 PolarHBondContact O-N 3Å; D137-F167 VanDerWaalsContact C-CD2 3.49Å; D137-F167 HydrophobicContact CB-CD2 3.57Å; D137-F167 HydrophobicContact CB-CE2 3.66Å; D137-F167 HydrophobicContact CB-CG 4.32Å; D137-F167 HydrophobicContact CB-CZ 4.48Å; D137-F167 WeakPolarHBondContact O-CE2 3.41Å
138T96.9Very high95.4Very high0 Ų031.2 Ų31.20%017%0.172CC..  trans-63.1123.1-179.9-650000110.9S135 A136 Y164 I165 F166 F167 V175 R197S135-T138 VanDerWaalsContact O-CB 3.3Å; S135-T138 WeakPolarHBondContact O-CB 3.39Å; S135-T138 PolarHBondContact O-N 2.85Å; S135-T138 PolarHBondContact O-OG1 3.08Å; A136-T138 PolarHBondContact O-N 3.1Å; T138-Y164 HydrophobicContact CG2-CE1 3.85Å; T138-I165 WeakPolarHBondContact CA-O 3.39Å; T138-F166 HydrophobicContact CG2-CD1 4.01Å; T138-F167 PolarHBondContact OG1-N 3.16Å; T138-V175 HydrophobicContact CG2-CG2 3.64Å; T138-R197 PolarHBondContact O-NH1 2.86Å
139G96.6Very high94.9Very high2 Ų236.2 Ų36.22%0.02121%0.207CC..EExtended strand (participates in β ladder)trans169-171.4-178.300000114.1D137 Y164 I165D137-G139 PolarHBondContact O-N 3Å; G139-Y164 WeakPolarHBondContact O-CA 3.31Å; G139-I165 PolarHBondContact N-O 2.87Å; G139-I165 VanDerWaalsContact N-O 3.12Å; G139-I165 PolarHBondContact O-N 3.07Å
140E97.2Very high94.5Very high98 Ų9837.9 Ų37.946%0.45823%0.23SC..EExtended strand (participates in β ladder)trans-84.1128.8176.8-172.6166.9-149.200110.9Y105 S162 Y164Y105-E140 WeakPolarHBondContact CA-O 3.36Å; E140-S162 WeakPolarHBondContact OE1-CB 3.36Å; E140-S162 PolarHBondContact OE1-OG 2.81Å; E140-Y164 HydrophobicContact CB-CD2 4Å
141F97.5Very high94Very high0 Ų049.4 Ų49.40%028%0.275CS..EExtended strand (participates in β ladder)trans-109.5120.6168.1-68.1-102.5000107.2L94 S104 P106 L128 L130 S162 T163 I165 F167L94-F141 HydrophobicContact CD1-CB 3.67Å; L94-F141 HydrophobicContact CD1-CD1 4.31Å; L94-F141 HydrophobicContact CD1-CG 4.18Å; S104-F141 WeakPolarHBondContact O-CA 3.36Å; P106-F141 HydrophobicContact CG-CE2 4.4Å; P106-F141 HydrophobicContact CG-CZ 4.4Å; L128-F141 HydrophobicContact CD1-CD1 4.32Å; L128-F141 HydrophobicContact CD2-CD1 4.03Å; L128-F141 HydrophobicContact CD2-CE1 4.2Å; L130-F141 HydrophobicContact CD2-CE1 4.31Å; L130-F141 HydrophobicContact CD2-CZ 3.99Å; F141-S162 CarbonylContact O-C 3.6Å; F141-S162 VanDerWaalsContact O-CA 3.27Å; F141-S162 WeakPolarHBondContact O-CA 3.48Å; F141-T163 HydrophobicContact CB-CG2 4.3Å; F141-T163 PolarHBondContact N-O 2.89Å; F141-T163 PolarHBondContact O-N 2.7Å; F141-I165 HydrophobicContact CD2-CB 4.1Å; F141-I165 HydrophobicContact CD2-CD1 3.71Å; F141-I165 HydrophobicContact CD2-CG1 3.8Å; F141-I165 HydrophobicContact CE2-CB 4.11Å; F141-I165 HydrophobicContact CE2-CD1 4.12Å; F141-I165 HydrophobicContact CE2-CG1 4.27Å; F141-I165 HydrophobicContact CG-CD1 4.13Å; F141-F167 HydrophobicContact CE2-CE2 4.07Å; F141-F167 HydrophobicContact CZ-CE2 4.2Å
142S97.2Very high93.7Very high15 Ų1551.8 Ų51.811%0.10529%0.285CS..EExtended strand (participates in β ladder)trans-135.4154.6-178.271.30000112W103 S104 G161W103-S142 CarbonylContact C-O 3.52Å; W103-S142 WeakPolarHBondContact CA-O 3.41Å; S104-S142 WeakPolarHBondContact CB-OG 3.31Å; S104-S142 PolarHBondContact N-O 2.81Å; S104-S142 PolarHBondContact O-N 2.85Å; S142-G161 CarbonylContact C-O 3.57Å; S142-G161 VanDerWaalsContact CA-O 3.25Å; S142-G161 WeakPolarHBondContact CA-O 3.36Å
143C97.3Very high93.5Very high1 Ų149.7 Ų49.71%0.00728%0.278CS..EExtended strand (participates in β ladder)trans-142.5156.1176.570.40000110.4M68 C96 I101 G102 W103 T160 G161M68-C143 HydrophobicContact CE-CB 4.19Å; C96-C143 HydrophobicContact CB-CB 3.71Å; C96-C143 WeakPolarHBondContact CB-SG 3.25Å; C96-C143 WeakPolarHBondContact SG-CB 3.27Å; C96-C143 CovalentContact SG-SG 2Å; C96-C143 PolarHBondContact SG-SG 2.9Å; I101-C143 HydrophobicContact CG2-CB 3.9Å; G102-C143 CarbonylContact O-C 3.57Å; G102-C143 WeakPolarHBondContact O-CA 3.34Å; W103-C143 HydrophobicContact CD2-CB 3.92Å; W103-C143 HydrophobicContact CE3-CB 3.68Å; W103-C143 HydrophobicContact CH2-CB 4.06Å; W103-C143 HydrophobicContact CZ2-CB 4.26Å; W103-C143 HydrophobicContact CZ3-CB 3.77Å; C143-T160 WeakPolarHBondContact O-CA 3.09Å; C143-G161 PolarHBondContact N-O 2.83Å; C143-G161 PolarHBondContact O-N 2.99Å
144W96.8Very high93.4Very high48 Ų4858.6 Ų58.618%0.18231%0.311CS..EExtended strand (participates in β ladder)trans-149.5149.517659.191.3000112.2I101 G102 W103 K155 K159 T160I101-W144 CarbonylContact C-O 3.55Å; I101-W144 WeakPolarHBondContact CA-O 3.49Å; G102-W144 PolarHBondContact N-O 3.12Å; G102-W144 PolarHBondContact O-N 3.39Å; W103-W144 VanDerWaalsContact O-CH2 3.31Å; W103-W144 WeakPolarHBondContact O-CH2 3.49Å; W144-K155 HydrophobicContact CB-CD 4.24Å; W144-K155 HydrophobicContact CB-CG 3.84Å; W144-K155 HydrophobicContact CD2-CD 3.97Å; W144-K155 HydrophobicContact CD2-CG 4.19Å; W144-K155 HydrophobicContact CE3-CD 4.48Å; W144-K155 HydrophobicContact CG-CB 4.23Å; W144-K155 HydrophobicContact CG-CD 3.85Å; W144-K155 HydrophobicContact CG-CG 3.56Å; W144-K159 CarbonylContact C-O 3.48Å; W144-K159 VanDerWaalsContact CA-O 3.22Å; W144-K159 WeakPolarHBondContact CA-O 3.43Å; W144-T160 HydrophobicContact CB-CG2 3.99Å
145G95.6Very high93.3Very high7 Ų761.7 Ų61.77%0.07232%0.321CS..EExtended strand (participates in β ladder)trans-65.5143.8166.600000110.9D156 K159G145-D156 WeakPolarHBondContact O-CB 3.27Å; G145-D156 PolarHBondContact O-N 3.47Å; G145-K159 PolarHBondContact N-O 3.41Å
146Q93.1Very high93.2Very high73 Ų7362 Ų6234%0.34132%0.321SS..EExtended strand (participates in β ladder)trans-103.7131174.2-68.7-179.2-54.100111.3R100 C153 R154R100-Q146 HydrophobicContact CB-CB 4.19Å; R100-Q146 PolarHBondContact O-N 2.8Å; Q146-C153 HydrophobicContact CB-CB 4.44Å; Q146-R154 WeakPolarHBondContact CA-O 3.25Å
147L91.4Very high93.1Very high100 Ų10068.3 Ų68.352%0.52435%0.347SS..EExtended strand (participates in β ladder)trans-98.4108.7169.4-66.1168.9000108C153 R154 D156L147-C153 WeakPolarHBondContact O-CA 3.34Å; L147-R154 PolarHBondContact N-O 2.84Å; L147-R154 PolarHBondContact O-N 3.3Å; L147-D156 HydrophobicContact CD1-CB 4.07Å; L147-D156 HydrophobicContact CG-CB 3.97Å
148C89.5Confident92.8Very high40 Ų4072.7 Ų72.727%0.2737%0.374SS..EExtended strand (participates in β ladder)trans-107.7128-178.4-550000111R100 I152 C153R100-C148 VanDerWaalsContact NH1-CB 3.33Å; R100-C148 PolarHBondContact NH1-SG 2.78Å; R100-C148 VanDerWaalsContact NH1-SG 3.41Å; C148-I152 CarbonylContact C-O 3.55Å; C148-I152 VanDerWaalsContact CA-O 3.27Å; C148-I152 WeakPolarHBondContact CA-O 3.42Å; C148-C153 HydrophobicContact CB-CB 4.15Å; C148-C153 WeakPolarHBondContact CB-SG 3.39Å; C148-C153 WeakPolarHBondContact SG-CB 3.33Å; C148-C153 CovalentContact SG-SG 2.05Å; C148-C153 PolarHBondContact SG-SG 2.84Å
149S88.6Confident92.7Very high105 Ų10577.2 Ų77.273%0.73439%0.394SS*.EExtended strand (participates in β ladder)trans-114.299.5167.9-176.50000107.8Y151 I152S149-Y151 PolarHBondContact O-N 2.71Å; S149-I152 PolarHBondContact N-O 3.15Å; S149-I152 PolarHBondContact O-N 3.09Å
150G87.5Confident92.6Very high65 Ų6579.2 Ų79.267%0.6741%0.405SS*.THydrogen-bonded Turntrans65.3-124.7-168.200000111.6
151Y86Confident92.6Very high241 Ų24174.7 Ų74.795%0.94539%0.386SS*.THydrogen-bonded Turntrans-85.2-10.7178.8-60.3-78.4000114S149S149-Y151 PolarHBondContact O-N 2.71Å
152I88.5Confident92.6Very high113 Ų11377.5 Ų77.558%0.57941%0.405SS*.EExtended strand (participates in β ladder)trans-93114.5-177.1-57.5171.8000108.4C148 S149C148-I152 CarbonylContact C-O 3.55Å; C148-I152 VanDerWaalsContact CA-O 3.27Å; C148-I152 WeakPolarHBondContact CA-O 3.42Å; S149-I152 PolarHBondContact N-O 3.15Å; S149-I152 PolarHBondContact O-N 3.09Å
153C90.2Very high92.6Very high57 Ų5776.9 Ų76.939%0.38540%0.4SS..EExtended strand (participates in β ladder)trans-109.4132.8175.6-640000110.6Q146 L147 C148Q146-C153 HydrophobicContact CB-CB 4.44Å; L147-C153 WeakPolarHBondContact O-CA 3.34Å; C148-C153 HydrophobicContact CB-CB 4.15Å; C148-C153 WeakPolarHBondContact CB-SG 3.39Å; C148-C153 WeakPolarHBondContact SG-CB 3.33Å; C148-C153 CovalentContact SG-SG 2.05Å; C148-C153 PolarHBondContact SG-SG 2.84Å
154R92Very high92.6Very high189 Ų18977.2 Ų77.271%0.71340%0.402SS*.EExtended strand (participates in β ladder)trans-118.6157.6176.3-65.7-174.2177.6180-0.7111.2Q146 L147Q146-R154 WeakPolarHBondContact CA-O 3.25Å; L147-R154 PolarHBondContact N-O 2.84Å; L147-R154 PolarHBondContact O-N 3.3Å
155K93.4Very high92.6Very high112 Ų11275 Ų7549%0.48739%0.393SS..EExtended strand (participates in β ladder)trans-70.5125.1175.7176.1165.2-177.8-176.20110.4W144 E157W144-K155 HydrophobicContact CB-CD 4.24Å; W144-K155 HydrophobicContact CB-CG 3.84Å; W144-K155 HydrophobicContact CD2-CD 3.97Å; W144-K155 HydrophobicContact CD2-CG 4.19Å; W144-K155 HydrophobicContact CE3-CD 4.48Å; W144-K155 HydrophobicContact CG-CB 4.23Å; W144-K155 HydrophobicContact CG-CD 3.85Å; W144-K155 HydrophobicContact CG-CG 3.56Å; K155-E157 PolarHBondContact O-N 3.17Å
156D92.7Very high92.7Very high12 Ų1274.6 Ų74.66%0.06439%0.39CS..EExtended strand (participates in β ladder)trans-82.599.8169.8-170.5-13.6000109.2G145 L147 T158 K159 T160G145-D156 WeakPolarHBondContact O-CB 3.27Å; G145-D156 PolarHBondContact O-N 3.47Å; L147-D156 HydrophobicContact CD1-CB 4.07Å; L147-D156 HydrophobicContact CG-CB 3.97Å; D156-T158 PolarHBondContact O-N 2.89Å; D156-T158 WeakPolarHBondContact OD1-CB 3.41Å; D156-T158 PolarHBondContact OD1-N 3.48Å; D156-T158 VanDerWaalsContact OD1-N 3.08Å; D156-T158 PolarHBondContact OD1-OG1 3.03Å; D156-K159 HydrophobicContact CB-CB 4.31Å; D156-K159 CarbonylContact O-C 3.19Å; D156-K159 PolarHBondContact O-N 3.4Å; D156-K159 VanDerWaalsContact O-N 3.11Å; D156-K159 WeakPolarHBondContact OD2-CG 2.96Å; D156-K159 IonicContact OD2-NZ 2.72Å; D156-K159 PolarHBondContact OD2-NZ 2.85Å; D156-T160 WeakPolarHBondContact O-CG2 3.24Å
157E90.8Very high92.9Very high156 Ų15671.1 Ų71.173%0.72937%0.374SS*.EExtended strand (participates in β ladder)trans-64.2-23.2-179.6-61.7-163.3160.700113.2K155 K159 T160K155-E157 PolarHBondContact O-N 3.17Å; E157-K159 VanDerWaalsContact C-N 3.27Å; E157-K159 PolarHBondContact O-N 3.35Å; E157-T160 PolarHBondContact O-OG1 2.89Å
158T90.4Very high93Very high92 Ų9267.7 Ų67.756%0.56436%0.356SS*.EExtended strand (participates in β ladder)trans-76.4-16.8177.775.30000112.8T64 D156T64-T158 WeakPolarHBondContact CG2-O 3.35Å; D156-T158 PolarHBondContact O-N 2.89Å; D156-T158 WeakPolarHBondContact OD1-CB 3.41Å; D156-T158 PolarHBondContact OD1-N 3.48Å; D156-T158 VanDerWaalsContact OD1-N 3.08Å; D156-T158 PolarHBondContact OD1-OG1 3.03Å
159K93.4Very high93.2Very high95 Ų9570 Ų7041%0.41336%0.364SS..EExtended strand (participates in β ladder)trans-124.369.2-178.9-63.7-163.7-160.486.60110.1I67 W144 G145 D156 E157I67-K159 HydrophobicContact CD1-CB 4.29Å; I67-K159 VanDerWaalsContact CD1-O 3.26Å; I67-K159 WeakPolarHBondContact CD1-O 3.32Å; I67-K159 HydrophobicContact CG2-CB 4.05Å; I67-K159 HydrophobicContact CG2-CG 4.47Å; W144-K159 CarbonylContact C-O 3.48Å; W144-K159 VanDerWaalsContact CA-O 3.22Å; W144-K159 WeakPolarHBondContact CA-O 3.43Å; G145-K159 PolarHBondContact N-O 3.41Å; D156-K159 HydrophobicContact CB-CB 4.31Å; D156-K159 CarbonylContact O-C 3.19Å; D156-K159 PolarHBondContact O-N 3.4Å; D156-K159 VanDerWaalsContact O-N 3.11Å; D156-K159 WeakPolarHBondContact OD2-CG 2.96Å; D156-K159 IonicContact OD2-NZ 2.72Å; D156-K159 PolarHBondContact OD2-NZ 2.85Å; E157-K159 VanDerWaalsContact C-N 3.27Å; E157-K159 PolarHBondContact O-N 3.35Å
160T95.8Very high93.1Very high44 Ų4473.9 Ų73.927%0.2737%0.367SS..EExtended strand (participates in β ladder)trans-117.5158.4178.756.10000111S66 I67 C143 W144 D156 E157S66-T160 VanDerWaalsContact CA-O 3.3Å; S66-T160 WeakPolarHBondContact CA-O 3.42Å; I67-T160 PolarHBondContact N-O 2.86Å; I67-T160 VanDerWaalsContact N-O 3.14Å; C143-T160 WeakPolarHBondContact O-CA 3.09Å; W144-T160 HydrophobicContact CB-CG2 3.99Å; D156-T160 WeakPolarHBondContact O-CG2 3.24Å; E157-T160 PolarHBondContact O-OG1 2.89Å
161G96.3Very high93.1Very high4 Ų472.5 Ų72.54%0.04135%0.353CS..EExtended strand (participates in β ladder)trans-151.9139.4167.400000109.4S66 M68 S142 C143S66-G161 WeakPolarHBondContact OG-CA 3.49Å; M68-G161 WeakPolarHBondContact CE-O 3.5Å; S142-G161 CarbonylContact C-O 3.57Å; S142-G161 VanDerWaalsContact CA-O 3.25Å; S142-G161 WeakPolarHBondContact CA-O 3.36Å; C143-G161 PolarHBondContact N-O 2.83Å; C143-G161 PolarHBondContact O-N 2.99Å
162S97Very high93.4Very high59 Ų5964.2 Ų64.241%0.41332%0.323SS..EExtended strand (participates in β ladder)trans-145.1152.8174.666.30000111.6E140 F141E140-S162 WeakPolarHBondContact OE1-CB 3.36Å; E140-S162 PolarHBondContact OE1-OG 2.81Å; F141-S162 CarbonylContact O-C 3.6Å; F141-S162 VanDerWaalsContact O-CA 3.27Å; F141-S162 WeakPolarHBondContact O-CA 3.48Å
163T97.3Very high93.8Very high1 Ų159.4 Ų59.41%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-146.3138.3171.2178.20000108.1M68 P80 A81 L84 L94 F141 I165M68-T163 HydrophobicContact SD-CG2 3.73Å; P80-T163 HydrophobicContact CB-CG2 4.28Å; P80-T163 HydrophobicContact CG-CG2 4.42Å; A81-T163 PolarHBondContact O-OG1 3.1Å; L84-T163 HydrophobicContact CD1-CG2 4.44Å; L94-T163 HydrophobicContact CD1-CG2 4.17Å; L94-T163 HydrophobicContact CD2-CG2 4.48Å; F141-T163 HydrophobicContact CB-CG2 4.3Å; F141-T163 PolarHBondContact N-O 2.89Å; F141-T163 PolarHBondContact O-N 2.7Å; T163-I165 HydrophobicContact CG2-CD1 4.03Å; T163-I165 HydrophobicContact CG2-CG1 3.91Å
164Y97.4Very high94.1Very high9 Ų957.2 Ų57.24%0.03528%0.282CS..EExtended strand (participates in β ladder)trans-94.1122.3169.4-165.2-78.3000108.9A82 T83 L84 T138 G139 E140 F166 R197 K228A82-Y164 PolarHBondContact O-N 2.89Å; T83-Y164 CarbonylContact C-O 3.5Å; T83-Y164 VanDerWaalsContact CA-O 3.28Å; T83-Y164 WeakPolarHBondContact CA-O 3.45Å; L84-Y164 PolarHBondContact N-O 3.17Å; T138-Y164 HydrophobicContact CG2-CE1 3.85Å; G139-Y164 WeakPolarHBondContact O-CA 3.31Å; E140-Y164 HydrophobicContact CB-CD2 4Å; Y164-F166 HydrophobicContact CD1-CD1 4.45Å; Y164-F166 AromaticContact CD1-CD2 3.83Å; Y164-F166 HydrophobicContact CD1-CD2 3.83Å; Y164-F166 HydrophobicContact CD1-CE1 4.07Å; Y164-F166 AromaticContact CD1-CE2 3.36Å; Y164-F166 HydrophobicContact CD1-CE2 3.36Å; Y164-F166 HydrophobicContact CD1-CG 4.34Å; Y164-F166 AromaticContact CD1-CZ 3.5Å; Y164-F166 HydrophobicContact CD1-CZ 3.5Å; Y164-F166 HydrophobicContact CE1-CD1 4.01Å; Y164-F166 HydrophobicContact CE1-CD2 4.21Å; Y164-F166 AromaticContact CE1-CE1 3.57Å; Y164-F166 HydrophobicContact CE1-CE1 3.57Å; Y164-F166 AromaticContact CE1-CE2 3.78Å; Y164-F166 HydrophobicContact CE1-CE2 3.78Å; Y164-F166 HydrophobicContact CE1-CG 4.31Å; Y164-F166 AromaticContact CE1-CZ 3.43Å; Y164-F166 HydrophobicContact CE1-CZ 3.43Å; Y164-F166 VanDerWaalsContact CE1-CZ 3.43Å; Y164-F166 HydrophobicContact CG-CE2 4.42Å; Y164-R197 PolarHBondContact OH-NH1 2.96Å; Y164-K228 HydrophobicContact CD1-CG 4.14Å; Y164-K228 HydrophobicContact CD2-CB 4Å; Y164-K228 HydrophobicContact CD2-CD 3.52Å; Y164-K228 HydrophobicContact CD2-CG 3.64Å; Y164-K228 HydrophobicContact CE1-CG 4.14Å; Y164-K228 HydrophobicContact CE2-CB 3.55Å; Y164-K228 HydrophobicContact CE2-CD 4Å; Y164-K228 HydrophobicContact CE2-CG 3.63Å; Y164-K228 HydrophobicContact CG-CD 3.8Å; Y164-K228 HydrophobicContact CG-CG 3.89Å
165I97.6Very high94.2Very high0 Ų049 Ų490%025%0.253CS..EExtended strand (participates in β ladder)trans-109.1123.4-175.3-51.3-176.8000109L84 L86 V92 L94 T138 G139 F141 T163 F167L84-I165 HydrophobicContact CB-CG1 4.38Å; L84-I165 HydrophobicContact CB-CG2 4.47Å; L84-I165 HydrophobicContact CD1-CG1 4.43Å; L84-I165 WeakPolarHBondContact O-CA 3.26Å; L86-I165 HydrophobicContact CB-CG2 4.47Å; L86-I165 HydrophobicContact CD1-CG2 3.73Å; L86-I165 HydrophobicContact CG-CG2 4.08Å; V92-I165 HydrophobicContact CG1-CD1 3.91Å; L94-I165 HydrophobicContact CD1-CD1 4.36Å; T138-I165 WeakPolarHBondContact CA-O 3.39Å; G139-I165 PolarHBondContact N-O 2.87Å; G139-I165 VanDerWaalsContact N-O 3.12Å; G139-I165 PolarHBondContact O-N 3.07Å; F141-I165 HydrophobicContact CD2-CB 4.1Å; F141-I165 HydrophobicContact CD2-CD1 3.71Å; F141-I165 HydrophobicContact CD2-CG1 3.8Å; F141-I165 HydrophobicContact CE2-CB 4.11Å; F141-I165 HydrophobicContact CE2-CD1 4.12Å; F141-I165 HydrophobicContact CE2-CG1 4.27Å; F141-I165 HydrophobicContact CG-CD1 4.13Å; T163-I165 HydrophobicContact CG2-CD1 4.03Å; T163-I165 HydrophobicContact CG2-CG1 3.91Å; I165-F167 HydrophobicContact CB-CE2 4.04Å; I165-F167 HydrophobicContact CB-CZ 4.36Å; I165-F167 HydrophobicContact CG2-CD1 4.46Å; I165-F167 HydrophobicContact CG2-CD2 4.1Å; I165-F167 HydrophobicContact CG2-CE1 4.01Å; I165-F167 HydrophobicContact CG2-CE2 3.63Å; I165-F167 HydrophobicContact CG2-CZ 3.59Å
166F97.2Very high94.2Very high0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-94.7114.1173-68.7-87.4000109.1T83 L84 S85 L86 T138 Y164 V198 T199 L201 M227T83-F166 HydrophobicContact CG2-CE2 4.15Å; L84-F166 WeakPolarHBondContact O-CD2 3.33Å; L84-F166 PolarHBondContact O-N 2.82Å; S85-F166 WeakPolarHBondContact CA-O 3.45Å; L86-F166 PolarHBondContact N-O 2.84Å; L86-F166 VanDerWaalsContact O-O 3.12Å; T138-F166 HydrophobicContact CG2-CD1 4.01Å; Y164-F166 HydrophobicContact CD1-CD1 4.45Å; Y164-F166 AromaticContact CD1-CD2 3.83Å; Y164-F166 HydrophobicContact CD1-CD2 3.83Å; Y164-F166 HydrophobicContact CD1-CE1 4.07Å; Y164-F166 AromaticContact CD1-CE2 3.36Å; Y164-F166 HydrophobicContact CD1-CE2 3.36Å; Y164-F166 HydrophobicContact CD1-CG 4.34Å; Y164-F166 AromaticContact CD1-CZ 3.5Å; Y164-F166 HydrophobicContact CD1-CZ 3.5Å; Y164-F166 HydrophobicContact CE1-CD1 4.01Å; Y164-F166 HydrophobicContact CE1-CD2 4.21Å; Y164-F166 AromaticContact CE1-CE1 3.57Å; Y164-F166 HydrophobicContact CE1-CE1 3.57Å; Y164-F166 AromaticContact CE1-CE2 3.78Å; Y164-F166 HydrophobicContact CE1-CE2 3.78Å; Y164-F166 HydrophobicContact CE1-CG 4.31Å; Y164-F166 AromaticContact CE1-CZ 3.43Å; Y164-F166 HydrophobicContact CE1-CZ 3.43Å; Y164-F166 VanDerWaalsContact CE1-CZ 3.43Å; Y164-F166 HydrophobicContact CG-CE2 4.42Å; F166-V198 VanDerWaalsContact CD1-O 3.32Å; F166-V198 WeakPolarHBondContact CD1-O 3.4Å; F166-V198 HydrophobicContact CE1-CG2 4.44Å; F166-V198 WeakPolarHBondContact CE1-O 3.38Å; F166-T199 WeakPolarHBondContact CB-O 3.39Å; F166-L201 HydrophobicContact CD1-CD2 4.42Å; F166-L201 HydrophobicContact CD2-CD1 4.37Å; F166-L201 HydrophobicContact CD2-CD2 3.7Å; F166-L201 HydrophobicContact CD2-CG 3.96Å; F166-L201 HydrophobicContact CE1-CD2 4.09Å; F166-L201 HydrophobicContact CE2-CD2 3.31Å; F166-L201 HydrophobicContact CE2-CG 4.1Å; F166-L201 HydrophobicContact CG-CD2 4.25Å; F166-L201 HydrophobicContact CG-CG 4.25Å; F166-L201 HydrophobicContact CZ-CD2 3.54Å; F166-M227 HydrophobicContact CE1-SD 4.42Å; F166-M227 HydrophobicContact CE2-SD 4.16Å; F166-M227 HydrophobicContact CZ-CG 4Å; F166-M227 HydrophobicContact CZ-SD 3.55Å; F166-M227 VanDerWaalsContact CZ-SD 3.55Å
167F97.1Very high94Very high0 Ų048.1 Ų48.10%026%0.26CS..EExtended strand (participates in β ladder)trans-95.6103.6173.4-68.3-77.5000109.1L86 V92 L130 S133 T134 D137 T138 F141 I165 T199L86-F167 HydrophobicContact CB-CD1 4.05Å; L86-F167 HydrophobicContact CB-CE1 4.13Å; L86-F167 HydrophobicContact CD1-CE1 4.02Å; L86-F167 WeakPolarHBondContact O-CA 3.22Å; V92-F167 HydrophobicContact CG2-CE1 3.64Å; V92-F167 HydrophobicContact CG2-CZ 3.63Å; L130-F167 HydrophobicContact CD2-CE2 4.19Å; L130-F167 HydrophobicContact CD2-CZ 3.94Å; S133-F167 WeakPolarHBondContact OG-CD1 3.4Å; S133-F167 VanDerWaalsContact OG-CE1 3.25Å; S133-F167 WeakPolarHBondContact OG-CE1 3.39Å; T134-F167 WeakPolarHBondContact O-CB 3.3Å; D137-F167 VanDerWaalsContact C-CD2 3.49Å; D137-F167 HydrophobicContact CB-CD2 3.57Å; D137-F167 HydrophobicContact CB-CE2 3.66Å; D137-F167 HydrophobicContact CB-CG 4.32Å; D137-F167 HydrophobicContact CB-CZ 4.48Å; D137-F167 WeakPolarHBondContact O-CE2 3.41Å; T138-F167 PolarHBondContact OG1-N 3.16Å; F141-F167 HydrophobicContact CE2-CE2 4.07Å; F141-F167 HydrophobicContact CZ-CE2 4.2Å; I165-F167 HydrophobicContact CB-CE2 4.04Å; I165-F167 HydrophobicContact CB-CZ 4.36Å; I165-F167 HydrophobicContact CG2-CD1 4.46Å; I165-F167 HydrophobicContact CG2-CD2 4.1Å; I165-F167 HydrophobicContact CG2-CE1 4.01Å; I165-F167 HydrophobicContact CG2-CE2 3.63Å; I165-F167 HydrophobicContact CG2-CZ 3.59Å; F167-T199 WeakPolarHBondContact O-CB 3.46Å
168T95.1Very high93.7Very high27 Ų2747.4 Ų47.417%0.16627%0.269CS..EExtended strand (participates in β ladder)trans-86.3130.3-175.454.90000110.4L86 A88 T199 V200L86-T168 PolarHBondContact O-N 3Å; L86-T168 PolarHBondContact O-OG1 2.64Å; A88-T168 PolarHBondContact N-O 3.41Å; T168-T199 WeakPolarHBondContact CG2-O 3.22Å; T168-V200 HydrophobicContact CG2-CG2 4.06Å
169E92.7Very high93.5Very high90 Ų9045 Ų4542%0.42126%0.256SS..BIsolated β-bridgetrans-130.9145.8177.9-178171.3-16900109.6A88 S135 G171 E172A88-E169 HydrophobicContact CB-CB 3.9Å; A88-E169 HydrophobicContact CB-CG 4.33Å; S135-E169 PolarHBondContact OG-OE2 2.85Å; E169-G171 PolarHBondContact O-N 3.29Å; E169-G171 VanDerWaalsContact O-N 3.08Å; E169-E172 HydrophobicContact CB-CB 4.21Å; E169-E172 HydrophobicContact CB-CG 4.49Å; E169-E172 HydrophobicContact CG-CG 4.41Å; E169-E172 PolarHBondContact O-N 2.56Å
170K87.6Confident93.1Very high185 Ų18550.8 Ų50.880%0.80428%0.277SS*.THydrogen-bonded Turntrans-70.2111.9-175.5-176.8-177.1178-175.60110
171G85.6Confident92.8Very high36 Ų3655.1 Ų55.137%0.37129%0.292SS..THydrogen-bonded Turntrans103.2-17.4177.600000113.6E169E169-G171 PolarHBondContact O-N 3.29Å; E169-G171 VanDerWaalsContact O-N 3.08Å
172E93.6Very high92.5Very high68 Ų6857 Ų5732%0.31830%0.302SS..BIsolated β-bridgetrans-100.1105.7176.6-62.8-56148.700110.2E169 T199 Q255E169-E172 HydrophobicContact CB-CB 4.21Å; E169-E172 HydrophobicContact CB-CG 4.49Å; E169-E172 HydrophobicContact CG-CG 4.41Å; E169-E172 PolarHBondContact O-N 2.56Å; E172-T199 PolarHBondContact O-OG1 2.87Å; E172-Q255 PolarHBondContact OE2-NE2 2.89Å
173L96Very high92.3Very high12 Ų1257.1 Ų57.16%0.06330%0.299CS..  trans-94.9-24.5176.3-58.6-175.9000112.6V198 T199 V200 A248 A250 Q255L173-V198 CarbonylContact O-C 3.59Å; L173-V198 WeakPolarHBondContact O-CA 3.27Å; L173-V198 WeakPolarHBondContact O-CB 3.37Å; L173-V198 WeakPolarHBondContact O-CG1 3.36Å; L173-T199 VanDerWaalsContact C-OG1 3.28Å; L173-T199 WeakPolarHBondContact CA-OG1 3.27Å; L173-T199 PolarHBondContact O-N 2.96Å; L173-T199 PolarHBondContact O-OG1 3.44Å; L173-V200 HydrophobicContact CD2-CG2 4.01Å; L173-A248 HydrophobicContact CB-CB 3.97Å; L173-A248 HydrophobicContact CD1-CB 4.07Å; L173-A248 WeakPolarHBondContact CD1-O 3.36Å; L173-A250 HydrophobicContact CD1-CB 4.42Å; L173-A250 HydrophobicContact CD2-CB 3.79Å; L173-Q255 HydrophobicContact CB-CB 4.19Å; L173-Q255 HydrophobicContact CD1-CB 4.04Å; L173-Q255 HydrophobicContact CG-CB 4.22Å
174F96.4Very high92.2Very high10 Ų1057.7 Ų57.74%0.04430%0.303CS..BIsolated β-bridgetrans-105.5153.4175.5-68.2-70.2000111.6P176 C196 R197 V198 T199 V205 C246 A248 Q255F174-P176 WeakPolarHBondContact O-CD 3.36Å; F174-C196 HydrophobicContact CD1-CB 4.12Å; F174-C196 HydrophobicContact CE1-CB 3.89Å; F174-R197 CarbonylContact C-O 3.59Å; F174-R197 WeakPolarHBondContact CA-O 3.39Å; F174-V198 HydrophobicContact CD1-CG1 4.08Å; F174-V198 HydrophobicContact CE1-CG1 4.07Å; F174-T199 WeakPolarHBondContact O-CG2 3.27Å; F174-V205 HydrophobicContact CE1-CG1 4.12Å; F174-V205 HydrophobicContact CZ-CG1 4.25Å; F174-C246 HydrophobicContact CE1-CB 3.88Å; F174-C246 HydrophobicContact CZ-CB 3.67Å; F174-A248 HydrophobicContact CD2-CB 4.38Å; F174-A248 HydrophobicContact CE1-CB 3.96Å; F174-A248 HydrophobicContact CE2-CB 3.62Å; F174-A248 HydrophobicContact CZ-CB 3.38Å; F174-Q255 HydrophobicContact CD2-CB 4.36Å; F174-Q255 HydrophobicContact CD2-CG 4.26Å; F174-Q255 HydrophobicContact CE2-CB 4.48Å; F174-Q255 WeakPolarHBondContact CE2-O 3.49Å; F174-Q255 VanDerWaalsContact N-OE1 3.17Å
175V95.8Very high92Very high18 Ų1859 Ų5911%0.10931%0.308CS..PPolyproline II helixtrans-68.9123.3166.8-173.10000107.7T138 S177 R197 T199T138-V175 HydrophobicContact CG2-CG2 3.64Å; V175-S177 PolarHBondContact O-N 2.91Å; V175-R197 HydrophobicContact CB-CB 4.34Å; V175-R197 HydrophobicContact CG2-CB 3.82Å; V175-R197 PolarHBondContact N-O 2.75Å; V175-T199 HydrophobicContact CG2-CG2 4.06Å
176P92.6Very high91.8Very high61 Ų6159 Ų5940%0.39631%0.308SS..PPolyproline II helixtrans-55.6135.7-178.4-27.634.6000112.7A136 F174A136-P176 HydrophobicContact CB-CG 4.36Å; F174-P176 WeakPolarHBondContact O-CD 3.36Å
177S88Confident91.4Very high43 Ų4359.4 Ų59.430%0.30131%0.31SS..PPolyproline II helixtrans-96.1138.3169.1-176.10000109.3V175 S179 D182V175-S177 PolarHBondContact O-N 2.91Å; S177-S179 PolarHBondContact O-N 3.39Å; S177-S179 PolarHBondContact OG-N 2.81Å; S177-D182 PolarHBondContact OG-OD2 3.35Å; S177-D182 VanDerWaalsContact OG-OD2 3.13Å
178P84.5Confident90.9Very high142 Ų14261.8 Ų61.892%0.92233%0.325SS*.SBendtrans-70.8-16172.130.9-35.6000112.5
179S85.8Confident90.5Very high40 Ų4067.2 Ų67.228%0.2835%0.353SS..SBendtrans-99.5148-179.5-165.90000112S177 F181 D182 V258S177-S179 PolarHBondContact O-N 3.39Å; S177-S179 PolarHBondContact OG-N 2.81Å; S179-F181 PolarHBondContact OG-N 3.17Å; S179-F181 PolarHBondContact OG-O 3.25Å; S179-D182 WeakPolarHBondContact CB-OD1 3.24Å; S179-V258 WeakPolarHBondContact O-CG1 3.34Å
180Y85.7Confident90.3Very high217 Ų21767.9 Ų67.985%0.85135%0.352SS*.SBendtrans-78.8-23.7174.1-145.2-90.5000112.4
181F88.9Confident90.7Very high135 Ų13563.8 Ų63.859%0.59234%0.336SS*.EExtended strand (participates in β ladder)trans-149.9145.4172.967.8-87.1000110S179 K259S179-F181 PolarHBondContact OG-N 3.17Å; S179-F181 PolarHBondContact OG-O 3.25Å; F181-K259 VanDerWaalsContact CA-O 3.28Å; F181-K259 WeakPolarHBondContact CA-O 3.49Å
182D91.7Very high91.1Very high45 Ų4562.4 Ų62.424%0.24132%0.321CS..EExtended strand (participates in β ladder)trans-124.2147.4179.1-73.9-37.7000110.6S177 S179 K259 Y260 Q261S177-D182 PolarHBondContact OG-OD2 3.35Å; S177-D182 VanDerWaalsContact OG-OD2 3.13Å; S179-D182 WeakPolarHBondContact CB-OD1 3.24Å; D182-K259 PolarHBondContact N-O 2.85Å; D182-K259 VanDerWaalsContact N-O 3.1Å; D182-Y260 HydrophobicContact CB-CD1 3.69Å; D182-Y260 HydrophobicContact CB-CE1 3.93Å; D182-Y260 CarbonylContact O-C 3.55Å; D182-Y260 VanDerWaalsContact O-CA 3.26Å; D182-Y260 WeakPolarHBondContact O-CA 3.42Å; D182-Q261 PolarHBondContact O-N 2.99Å
183V92.8Very high91.3Very high60 Ų6061 Ų6136%0.36432%0.317SS..EExtended strand (participates in β ladder)trans-97.6132.8177-179.50000109.5Y185 Q261 L263V183-Y185 HydrophobicContact CG1-CD1 4.25Å; V183-Y185 HydrophobicContact CG1-CD2 4.46Å; V183-Y185 HydrophobicContact CG1-CE1 3.74Å; V183-Y185 HydrophobicContact CG1-CE2 3.94Å; V183-Q261 WeakPolarHBondContact CA-O 3.4Å; V183-Q261 HydrophobicContact CG2-CB 4.49Å; V183-L263 HydrophobicContact CG1-CD1 3.67Å; V183-L263 HydrophobicContact CG1-CG 4.09Å
184V94.7Very high91.4Very high13 Ų1360.5 Ų60.58%0.07931%0.314CS..EExtended strand (participates in β ladder)trans-119.9116.4175.8179.60000108.8L186 A192 V193 Y260 Q261 L262 L263V184-L186 HydrophobicContact CG1-CD2 4.47Å; V184-L186 PolarHBondContact O-N 3.4Å; V184-A192 HydrophobicContact CG1-CB 4.12Å; V184-V193 WeakPolarHBondContact CG1-O 3.45Å; V184-Y260 HydrophobicContact CG2-CD1 4.37Å; V184-Q261 PolarHBondContact N-O 3.11Å; V184-L262 HydrophobicContact CB-CD1 4.03Å; V184-L262 HydrophobicContact CB-CG 4.22Å; V184-L262 HydrophobicContact CG2-CD1 4.38Å; V184-L262 WeakPolarHBondContact O-CA 3.24Å; V184-L263 PolarHBondContact O-N 3.2Å
185Y93.4Very high91.4Very high37 Ų3762.5 Ų62.515%0.14533%0.328CS..EExtended strand (participates in β ladder)trans-84.4117177-59.7-73.2000111.3V183 N187 L263 V265 P299 D300V183-Y185 HydrophobicContact CG1-CD1 4.25Å; V183-Y185 HydrophobicContact CG1-CD2 4.46Å; V183-Y185 HydrophobicContact CG1-CE1 3.74Å; V183-Y185 HydrophobicContact CG1-CE2 3.94Å; Y185-N187 PolarHBondContact O-ND2 3.21Å; Y185-L263 CarbonylContact C-O 3.59Å; Y185-L263 WeakPolarHBondContact CA-O 2.89Å; Y185-L263 HydrophobicContact CD1-CB 4.04Å; Y185-L263 HydrophobicContact CE1-CB 4.31Å; Y185-L263 HydrophobicContact CE1-CD1 4.03Å; Y185-V265 HydrophobicContact CD1-CG2 3.52Å; Y185-V265 HydrophobicContact CE1-CG2 4.48Å; Y185-V265 HydrophobicContact CG-CG2 4.01Å; Y185-P299 HydrophobicContact CD1-CB 3.83Å; Y185-P299 HydrophobicContact CD1-CG 3.75Å; Y185-P299 HydrophobicContact CE1-CB 3.22Å; Y185-P299 HydrophobicContact CE1-CG 3.52Å; Y185-P299 HydrophobicContact CE2-CB 4.04Å; Y185-P299 HydrophobicContact CG-CB 4.4Å; Y185-P299 WeakPolarHBondContact OH-CB 3.28Å; Y185-D300 WeakPolarHBondContact CD2-OD2 3.24Å; Y185-D300 WeakPolarHBondContact CE2-OD1 3.45Å; Y185-D300 WeakPolarHBondContact CE2-OD2 3.23Å; Y185-D300 PolarHBondContact OH-OD1 2.81Å
186L93.1Very high91.4Very high0 Ų061.8 Ų61.80%032%0.324CS..EExtended strand (participates in β ladder)trans-84.1121.7172.8-54.8179.2000108.2V184 A192 P236 H240 Q241 L262 L263 Y264 V265V184-L186 HydrophobicContact CG1-CD2 4.47Å; V184-L186 PolarHBondContact O-N 3.4Å; L186-A192 HydrophobicContact CD2-CB 3.62Å; L186-P236 HydrophobicContact CB-CB 3.72Å; L186-P236 HydrophobicContact CD2-CB 4.09Å; L186-P236 HydrophobicContact CG-CB 4.41Å; L186-H240 HydrophobicContact CD1-CB 3.59Å; L186-Q241 HydrophobicContact CD1-CG 4.46Å; L186-L262 HydrophobicContact CD1-CB 3.89Å; L186-L262 HydrophobicContact CD1-CD2 4.28Å; L186-L262 HydrophobicContact CD1-CG 4.35Å; L186-L262 HydrophobicContact CD2-CB 4.39Å; L186-L262 HydrophobicContact CD2-CD2 4.02Å; L186-L262 HydrophobicContact CD2-CG 4.01Å; L186-L262 HydrophobicContact CG-CB 4.1Å; L186-L262 HydrophobicContact CG-CG 4.28Å; L186-L263 PolarHBondContact N-O 3.2Å; L186-Y264 HydrophobicContact CB-CD2 3.89Å; L186-Y264 CarbonylContact O-C 3.55Å; L186-Y264 WeakPolarHBondContact O-CA 3.37Å; L186-V265 PolarHBondContact O-N 2.72Å
187N89.3Confident91.6Very high9 Ų962.1 Ų62.15%0.04832%0.317CS..BIsolated β-bridgetrans-124143.1179.3-64.6-102.5000108.3Y185 D189 R190 P236 V265Y185-N187 PolarHBondContact O-ND2 3.21Å; N187-D189 VanDerWaalsContact C-N 3.26Å; N187-D189 PolarHBondContact O-N 3.48Å; N187-R190 HydrophobicContact CB-CG 3.48Å; N187-R190 VanDerWaalsContact CB-CG 3.48Å; N187-R190 VanDerWaalsContact CG-NH2 3.25Å; N187-R190 PolarHBondContact ND2-NE 2.85Å; N187-R190 PolarHBondContact ND2-NH2 3Å; N187-R190 VanDerWaalsContact ND2-NH2 3.12Å; N187-R190 PolarHBondContact OD1-NE 3.12Å; N187-R190 PolarHBondContact OD1-NH2 3.04Å; N187-P236 WeakPolarHBondContact O-CD 3.14Å; N187-P236 WeakPolarHBondContact O-CG 3.41Å; N187-V265 WeakPolarHBondContact OD1-CB 3.33Å
188P86.6Confident92Very high49 Ų4960.2 Ų60.232%0.31830%0.304SS..THydrogen-bonded Turntrans-66.7-30.8179.725.2-32.7000112.5V265P188-V265 WeakPolarHBondContact CD-O 3.43Å
189D86Confident92.6Very high141 Ų14153.4 Ų53.475%0.75426%0.26SS*.THydrogen-bonded Turntrans-94.5-6.8-171.1-54.3-48.6000113.9N187N187-D189 VanDerWaalsContact C-N 3.26Å; N187-D189 PolarHBondContact O-N 3.48Å
190R89.1Confident93Very high105 Ų10552.8 Ų52.840%0.39625%0.254SS..BIsolated β-bridgetrans-142.6149.4-178.460.5178.4179.1-144.9-8.3112.3N187 P236 E298N187-R190 HydrophobicContact CB-CG 3.48Å; N187-R190 VanDerWaalsContact CB-CG 3.48Å; N187-R190 VanDerWaalsContact CG-NH2 3.25Å; N187-R190 PolarHBondContact ND2-NE 2.85Å; N187-R190 PolarHBondContact ND2-NH2 3Å; N187-R190 VanDerWaalsContact ND2-NH2 3.12Å; N187-R190 PolarHBondContact OD1-NE 3.12Å; N187-R190 PolarHBondContact OD1-NH2 3.04Å; R190-P236 WeakPolarHBondContact O-CD 3.34Å; R190-P236 WeakPolarHBondContact O-CG 3.46Å; R190-E298 IonicContact CZ-OE2 2.77Å; R190-E298 VanDerWaalsContact CZ-OE2 3.3Å; R190-E298 IonicContact NH1-OE2 3.4Å; R190-E298 PolarHBondContact NH1-OE2 3.49Å; R190-E298 IonicContact NH2-OE2 3.18Å; R190-E298 PolarHBondContact NH2-OE2 3.4Å
191Q94.7Very high93.3Very high99 Ų9946 Ų4646%0.46323%0.232SC..  trans-60.9145.7174.1-61.6177.5700110.8V232 Y233Q191-V232 HydrophobicContact CB-CG1 4.18Å; Q191-V232 HydrophobicContact CG-CG1 4.49Å; Q191-Y233 VanDerWaalsContact CA-O 3.31Å; Q191-Y233 WeakPolarHBondContact CA-O 3.23Å
192A95.5Very high93.5Very high6 Ų644.2 Ų44.25%0.0524%0.236CC..EExtended strand (participates in β ladder)trans-115.4146.2171.800000110.3V184 L186 V232 Y233 P236V184-A192 HydrophobicContact CG1-CB 4.12Å; L186-A192 HydrophobicContact CD2-CB 3.62Å; A192-V232 CarbonylContact O-C 3.58Å; A192-V232 WeakPolarHBondContact O-CA 3.25Å; A192-Y233 PolarHBondContact N-O 3.2Å; A192-Y233 VanDerWaalsContact N-O 3.12Å; A192-Y233 PolarHBondContact O-N 3.34Å; A192-P236 HydrophobicContact CB-CG 3.84Å
193V97.1Very high93.6Very high40 Ų4042.8 Ų42.824%0.24223%0.231CC..EExtended strand (participates in β ladder)trans-125.1126.4-176.6-174.70000109.6V184 P195 R229 F231 V232V184-V193 WeakPolarHBondContact CG1-O 3.45Å; V193-P195 WeakPolarHBondContact O-CD 3.44Å; V193-R229 HydrophobicContact CG1-CB 4.17Å; V193-R229 VanDerWaalsContact CG1-O 3.3Å; V193-R229 WeakPolarHBondContact CG1-O 3.35Å; V193-F231 CarbonylContact C-O 3.58Å; V193-F231 WeakPolarHBondContact CA-O 3.49Å; V193-V232 HydrophobicContact CG2-CG1 4.38Å; V193-V232 HydrophobicContact CG2-CG2 4.22Å
194V97.5Very high93.8Very high0 Ų046.9 Ų46.90%024%0.244CC..EExtended strand (participates in β ladder)trans-88.3105.51651770000107.3C196 L207 G230 F231 Y233 V244 Y260 L262V194-C196 PolarHBondContact O-N 2.92Å; V194-L207 HydrophobicContact CG1-CD1 4.41Å; V194-G230 VanDerWaalsContact O-CA 3.3Å; V194-G230 WeakPolarHBondContact O-CA 3.38Å; V194-F231 HydrophobicContact CB-CB 4.29Å; V194-F231 PolarHBondContact N-O 3.44Å; V194-F231 PolarHBondContact O-N 3.09Å; V194-F231 VanDerWaalsContact O-N 3.09Å; V194-Y233 HydrophobicContact CG2-CD2 4.36Å; V194-Y233 HydrophobicContact CG2-CE2 3.83Å; V194-V244 HydrophobicContact CG1-CG2 4.16Å; V194-V244 HydrophobicContact CG2-CG2 4.02Å; V194-Y260 HydrophobicContact CG1-CD1 4.35Å; V194-Y260 HydrophobicContact CG1-CD2 3.34Å; V194-Y260 HydrophobicContact CG1-CE2 3.69Å; V194-Y260 HydrophobicContact CG1-CG 3.7Å; V194-L262 HydrophobicContact CG2-CD1 4.13Å; V194-L262 HydrophobicContact CG2-CD2 4.42Å
195P96.3Very high93.9Very high53 Ų5347.2 Ų47.234%0.34425%0.246SC..  trans-81.442.3-159.934.6-38.6000115V193 R197 R229 Y260V193-P195 WeakPolarHBondContact O-CD 3.44Å; P195-R197 VanDerWaalsContact C-N 3.27Å; P195-R197 PolarHBondContact O-N 2.87Å; P195-R229 WeakPolarHBondContact CA-O 3.47Å; P195-Y260 HydrophobicContact CG-CD1 4.29Å; P195-Y260 HydrophobicContact CG-CE1 3.66Å
196C96.3Very high94.1Very high2 Ų246.7 Ų46.71%0.01425%0.247CC..  trans-82.669.7178.963.20000112.1F174 V194 C246 Y260F174-C196 HydrophobicContact CD1-CB 4.12Å; F174-C196 HydrophobicContact CE1-CB 3.89Å; V194-C196 PolarHBondContact O-N 2.92Å; C196-C246 HydrophobicContact CB-CB 3.43Å; C196-C246 VanDerWaalsContact CB-CB 3.43Å; C196-C246 WeakPolarHBondContact CB-SG 3.49Å; C196-C246 WeakPolarHBondContact SG-CB 3.45Å; C196-C246 CovalentContact SG-SG 2.02Å; C196-C246 PolarHBondContact SG-SG 2.98Å; C196-Y260 HydrophobicContact CB-CE2 4.11Å
197R96.3Very high94.3Very high68 Ų6846.8 Ų46.826%0.25725%0.247SC..  trans-70.4142.7178-57.8-178-65.3134-1110.5T138 Y164 F174 V175 P195 K228T138-R197 PolarHBondContact O-NH1 2.86Å; Y164-R197 PolarHBondContact OH-NH1 2.96Å; F174-R197 CarbonylContact C-O 3.59Å; F174-R197 WeakPolarHBondContact CA-O 3.39Å; V175-R197 HydrophobicContact CB-CB 4.34Å; V175-R197 HydrophobicContact CG2-CB 3.82Å; V175-R197 PolarHBondContact N-O 2.75Å; P195-R197 VanDerWaalsContact C-N 3.27Å; P195-R197 PolarHBondContact O-N 2.87Å; R197-K228 WeakPolarHBondContact CD-O 3.37Å; R197-K228 WeakPolarHBondContact CG-O 3.01Å
198V96.6Very high94.8Very high3 Ų347.3 Ų47.32%0.01825%0.249CC..BIsolated β-bridgetrans-98154.5179-70.80000112.7F166 L173 F174 A203 V205 Y225 M227 A248F166-V198 VanDerWaalsContact CD1-O 3.32Å; F166-V198 WeakPolarHBondContact CD1-O 3.4Å; F166-V198 HydrophobicContact CE1-CG2 4.44Å; F166-V198 WeakPolarHBondContact CE1-O 3.38Å; L173-V198 CarbonylContact O-C 3.59Å; L173-V198 WeakPolarHBondContact O-CA 3.27Å; L173-V198 WeakPolarHBondContact O-CB 3.37Å; L173-V198 WeakPolarHBondContact O-CG1 3.36Å; F174-V198 HydrophobicContact CD1-CG1 4.08Å; F174-V198 HydrophobicContact CE1-CG1 4.07Å; V198-A203 HydrophobicContact CB-CB 4.44Å; V198-A203 HydrophobicContact CG1-CB 4.14Å; V198-V205 HydrophobicContact CG1-CG2 3.53Å; V198-Y225 WeakPolarHBondContact CG1-OH 3.21Å; V198-M227 HydrophobicContact CG2-CB 4Å; V198-A248 HydrophobicContact CG1-CB 4.5Å
199T96.5Very high95.2Very high0 Ų048.5 Ų48.50%025%0.247CC..SBendtrans-95-17.9172.154.30000111.9F166 F167 T168 E172 L173 F174 V175F166-T199 WeakPolarHBondContact CB-O 3.39Å; F167-T199 WeakPolarHBondContact O-CB 3.46Å; T168-T199 WeakPolarHBondContact CG2-O 3.22Å; E172-T199 PolarHBondContact O-OG1 2.87Å; L173-T199 VanDerWaalsContact C-OG1 3.28Å; L173-T199 WeakPolarHBondContact CA-OG1 3.27Å; L173-T199 PolarHBondContact O-N 2.96Å; L173-T199 PolarHBondContact O-OG1 3.44Å; F174-T199 WeakPolarHBondContact O-CG2 3.27Å; V175-T199 HydrophobicContact CG2-CG2 4.06Å
200V94.6Very high95.7Very high27 Ų2743.9 Ų43.916%0.16422%0.221CC..  trans-118.4121.8-175-178.90000110.7T168 L173 S202 A203 A250T168-V200 HydrophobicContact CG2-CG2 4.06Å; L173-V200 HydrophobicContact CD2-CG2 4.01Å; V200-S202 VanDerWaalsContact C-N 3.3Å; V200-S202 WeakPolarHBondContact CG1-OG 3.47Å; V200-S202 PolarHBondContact O-N 2.67Å; V200-A203 HydrophobicContact CB-CB 4.37Å; V200-A203 VanDerWaalsContact O-CB 3.24Å; V200-A203 WeakPolarHBondContact O-CB 3.3Å; V200-A203 PolarHBondContact O-N 3.2Å; V200-A203 VanDerWaalsContact O-N 3.15Å; V200-A250 HydrophobicContact CG1-CB 4.19Å
201L92.6Very high95.8Very high74 Ų7446.3 Ų46.339%0.38724%0.235SC..THydrogen-bonded Turntrans-63.1-29.7-176.9-76.5175000114.7F166 A203 M227F166-L201 HydrophobicContact CD1-CD2 4.42Å; F166-L201 HydrophobicContact CD2-CD1 4.37Å; F166-L201 HydrophobicContact CD2-CD2 3.7Å; F166-L201 HydrophobicContact CD2-CG 3.96Å; F166-L201 HydrophobicContact CE1-CD2 4.09Å; F166-L201 HydrophobicContact CE2-CD2 3.31Å; F166-L201 HydrophobicContact CE2-CG 4.1Å; F166-L201 HydrophobicContact CG-CD2 4.25Å; F166-L201 HydrophobicContact CG-CG 4.25Å; F166-L201 HydrophobicContact CZ-CD2 3.54Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-M227 HydrophobicContact CD2-CE 4Å; L201-M227 HydrophobicContact CD2-SD 3.43Å; L201-M227 WeakPolarHBondContact CD2-SD 3.42Å
202S92.8Very high95.8Very high97 Ų9746.1 Ų46.168%0.67824%0.242SC*.THydrogen-bonded Turntrans-86.62.3179.556.70000113.6V200 K204V200-S202 VanDerWaalsContact C-N 3.3Å; V200-S202 WeakPolarHBondContact CG1-OG 3.47Å; V200-S202 PolarHBondContact O-N 2.67Å; S202-K204 PolarHBondContact O-N 3.08Å
203A94.8Very high95.8Very high16 Ų1649.9 Ų49.913%0.13227%0.274CS..  trans-67127-179.100000111.2V198 V200 L201 V205 E249 A250V198-A203 HydrophobicContact CB-CB 4.44Å; V198-A203 HydrophobicContact CG1-CB 4.14Å; V200-A203 HydrophobicContact CB-CB 4.37Å; V200-A203 VanDerWaalsContact O-CB 3.24Å; V200-A203 WeakPolarHBondContact O-CB 3.3Å; V200-A203 PolarHBondContact O-N 3.2Å; V200-A203 VanDerWaalsContact O-N 3.15Å; L201-A203 VanDerWaalsContact C-N 3.3Å; A203-V205 HydrophobicContact CB-CG2 4.36Å; A203-E249 WeakPolarHBondContact CA-O 3.18Å; A203-A250 HydrophobicContact CB-CB 4.15Å
204K95.8Very high95.7Very high146 Ų14653.8 Ų53.864%0.63529%0.287SS*.EExtended strand (participates in β ladder)trans-85.8120.1168.1-175.9-176.4176.9-171.80108.3S202 A248 E249S202-K204 PolarHBondContact O-N 3.08Å; K204-A248 CarbonylContact O-C 3.55Å; K204-A248 WeakPolarHBondContact O-CA 3.34Å; K204-E249 PolarHBondContact N-O 3.29Å; K204-E249 PolarHBondContact O-N 3.24Å
205V97.3Very high95.6Very high20 Ų2058.7 Ų58.712%0.12131%0.31CS..EExtended strand (participates in β ladder)trans-114.6137.2-176.1-166.70000110.8F174 V198 A203 Y225 F231 C246 R247 A248F174-V205 HydrophobicContact CE1-CG1 4.12Å; F174-V205 HydrophobicContact CZ-CG1 4.25Å; V198-V205 HydrophobicContact CG1-CG2 3.53Å; A203-V205 HydrophobicContact CB-CG2 4.36Å; V205-Y225 HydrophobicContact CB-CD1 4.43Å; V205-Y225 HydrophobicContact CB-CD2 4.42Å; V205-Y225 HydrophobicContact CB-CE1 3.9Å; V205-Y225 HydrophobicContact CB-CE2 3.91Å; V205-Y225 HydrophobicContact CG1-CD2 4.45Å; V205-Y225 HydrophobicContact CG1-CE2 3.82Å; V205-Y225 HydrophobicContact CG2-CE1 3.85Å; V205-Y225 HydrophobicContact CG2-CE2 4.3Å; V205-Y225 WeakPolarHBondContact CG2-OH 3.36Å; V205-F231 HydrophobicContact CG1-CE2 3.79Å; V205-F231 HydrophobicContact CG1-CZ 4.16Å; V205-C246 HydrophobicContact CG1-CB 4.15Å; V205-R247 CarbonylContact C-O 3.59Å; V205-R247 WeakPolarHBondContact CA-O 3.34Å; V205-A248 HydrophobicContact CG2-CB 4.05Å
206T97.6Very high95.6Very high26 Ų2657.5 Ų57.516%0.1630%0.3CS..EExtended strand (participates in β ladder)trans-129.1150.6177.952.80000109.9H208 E215 C246 R247T206-H208 WeakPolarHBondContact CB-NE2 3.41Å; T206-H208 PolarHBondContact OG1-NE2 3.48Å; T206-E215 WeakPolarHBondContact CG2-OE1 3.17Å; T206-C246 CarbonylContact O-C 3.6Å; T206-C246 WeakPolarHBondContact O-CA 3.38Å; T206-R247 PolarHBondContact N-O 3.11Å; T206-R247 PolarHBondContact O-N 2.86Å; T206-R247 PolarHBondContact OG1-O 2.02Å
207L98.1Very high95.4Very high1 Ų160.8 Ų60.81%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-104.7132.7179.1-174.763.3000109.4V194 E215 I216 I223 F231 Y233 V244V194-L207 HydrophobicContact CG1-CD1 4.41Å; L207-E215 WeakPolarHBondContact O-CA 3.49Å; L207-E215 WeakPolarHBondContact O-CG 3.33Å; L207-I216 HydrophobicContact CB-CB 4.3Å; L207-I216 HydrophobicContact CD2-CB 4.09Å; L207-I216 HydrophobicContact CD2-CD1 4.08Å; L207-I216 HydrophobicContact CD2-CG2 4.15Å; L207-I216 HydrophobicContact CG-CB 4.16Å; L207-I216 HydrophobicContact CG-CD1 4.14Å; L207-I216 PolarHBondContact O-N 2.94Å; L207-I223 HydrophobicContact CD2-CD1 4.48Å; L207-F231 HydrophobicContact CB-CD1 4.09Å; L207-F231 HydrophobicContact CB-CD2 3.85Å; L207-F231 HydrophobicContact CB-CE1 3.91Å; L207-F231 HydrophobicContact CB-CE2 3.66Å; L207-F231 HydrophobicContact CB-CG 4.07Å; L207-F231 HydrophobicContact CB-CZ 3.71Å; L207-F231 HydrophobicContact CD1-CD2 3.84Å; L207-F231 HydrophobicContact CD1-CE2 4.27Å; L207-F231 HydrophobicContact CD1-CG 4.29Å; L207-F231 HydrophobicContact CD2-CB 4.16Å; L207-F231 HydrophobicContact CD2-CD1 4.31Å; L207-F231 HydrophobicContact CD2-CD2 4.38Å; L207-F231 HydrophobicContact CD2-CG 4.03Å; L207-F231 HydrophobicContact CG-CD2 4.24Å; L207-F231 HydrophobicContact CG-CE2 4.49Å; L207-F231 HydrophobicContact CG-CG 4.36Å; L207-Y233 HydrophobicContact CD2-CE2 4.17Å; L207-Y233 WeakPolarHBondContact CD2-OH 3.38Å; L207-V244 HydrophobicContact CD1-CB 4.11Å; L207-V244 HydrophobicContact CD1-CG2 4.05Å
208H97.9Very high95.2Very high21 Ų2159.9 Ų59.910%0.09733%0.329CS..EExtended strand (participates in β ladder)trans-128.3141.3-177.9-66.5-93.3000110T206 E215 V244 Y245T206-H208 WeakPolarHBondContact CB-NE2 3.41Å; T206-H208 PolarHBondContact OG1-NE2 3.48Å; H208-E215 IonicContact CE1-OE2 3.75Å; H208-V244 CarbonylContact O-C 3.55Å; H208-V244 WeakPolarHBondContact O-CA 2.99Å; H208-V244 WeakPolarHBondContact O-CB 3.04Å; H208-Y245 HydrophobicContact CB-CD1 4.3Å; H208-Y245 HydrophobicContact CB-CD2 4.12Å; H208-Y245 HydrophobicContact CB-CE1 3.79Å; H208-Y245 HydrophobicContact CB-CE2 3.58Å; H208-Y245 HydrophobicContact CB-CG 4.44Å; H208-Y245 PolarHBondContact N-O 3.03Å; H208-Y245 PolarHBondContact O-N 2.78Å
209R96.7Very high94.5Very high74 Ų7465.3 Ų65.328%0.27936%0.358SS..EExtended strand (participates in β ladder)trans-92.6144.3167.991.4-17786.4166.2-9.6109.3P212 A213 K214 I216 V244R209-P212 WeakPolarHBondContact CD-O 3.47Å; R209-P212 WeakPolarHBondContact CG-O 3.3Å; R209-A213 WeakPolarHBondContact O-CA 3.46Å; R209-K214 HydrophobicContact CG-CB 4.33Å; R209-K214 PolarHBondContact N-O 3.2Å; R209-K214 PolarHBondContact O-N 2.86Å; R209-I216 HydrophobicContact CB-CD1 3.98Å; R209-I216 HydrophobicContact CB-CG1 4.27Å; R209-V244 HydrophobicContact CB-CG1 4.46Å
210E95.5Very high93.8Very high44 Ų4467.3 Ų67.321%0.20638%0.379CS..THydrogen-bonded Turntrans-77.3-42.3178.4-163.5176.1169.500112A213 V243 K259E210-A213 WeakPolarHBondContact O-CA 3.15Å; E210-A213 PolarHBondContact O-N 2.8Å; E210-V243 HydrophobicContact CB-CB 4.05Å; E210-V243 HydrophobicContact CB-CG1 4.23Å; E210-V243 PolarHBondContact N-O 2.87Å; E210-V243 VanDerWaalsContact OE2-CG1 3.23Å; E210-V243 WeakPolarHBondContact OE2-CG1 3.43Å; E210-K259 IonicContact OE1-NZ 3.51Å; E210-K259 PolarHBondContact OE1-NZ 2.86Å; E210-K259 VanDerWaalsContact OE2-CD 3.24Å; E210-K259 WeakPolarHBondContact OE2-CD 3.38Å; E210-K259 WeakPolarHBondContact OE2-CE 3.3Å; E210-K259 IonicContact OE2-NZ 2.62Å; E210-K259 PolarHBondContact OE2-NZ 3.24Å
211F92.3Very high93.3Very high155 Ų15571.6 Ų71.668%0.6841%0.405SS*.THydrogen-bonded Turntrans-136.5123.6-175.7-59.8-72.7000112
212P93.3Very high93.2Very high95 Ų9570.3 Ų70.362%0.61740%0.399SS*.THydrogen-bonded Turncis-65.7137.2-19.929.3-34.6000110.9R209 K214R209-P212 WeakPolarHBondContact CD-O 3.47Å; R209-P212 WeakPolarHBondContact CG-O 3.3Å; P212-K214 PolarHBondContact O-N 2.87Å
213A95.4Very high93.3Very high86 Ų8665.8 Ų65.871%0.71137%0.367SS*.THydrogen-bonded Turntrans-52.6113.7-175.300000112.5R209 E210R209-A213 WeakPolarHBondContact O-CA 3.46Å; E210-A213 WeakPolarHBondContact O-CA 3.15Å; E210-A213 PolarHBondContact O-N 2.8Å
214K95.6Very high93.4Very high122 Ų12267.5 Ų67.553%0.5338%0.375SS..EExtended strand (participates in β ladder)trans-162.9140.7-177.9168.7165.4174-176.70111.3R209 P212R209-K214 HydrophobicContact CG-CB 4.33Å; R209-K214 PolarHBondContact N-O 3.2Å; R209-K214 PolarHBondContact O-N 2.86Å; P212-K214 PolarHBondContact O-N 2.87Å
215E96.4Very high93.5Very high103 Ų10363.6 Ų63.648%0.48136%0.357SS..EExtended strand (participates in β ladder)trans-66.7132.4169.4-169171.8155.400110.5T206 L207 H208T206-E215 WeakPolarHBondContact CG2-OE1 3.17Å; L207-E215 WeakPolarHBondContact O-CA 3.49Å; L207-E215 WeakPolarHBondContact O-CG 3.33Å; H208-E215 IonicContact CE1-OE2 3.75Å
216I95.4Very high93.4Very high27 Ų2765.1 Ų65.114%0.13837%0.365CS..EExtended strand (participates in β ladder)trans-94.8115.7174.5-59.5173.2000107.2L207 R209 A218 I223 V244L207-I216 HydrophobicContact CB-CB 4.3Å; L207-I216 HydrophobicContact CD2-CB 4.09Å; L207-I216 HydrophobicContact CD2-CD1 4.08Å; L207-I216 HydrophobicContact CD2-CG2 4.15Å; L207-I216 HydrophobicContact CG-CB 4.16Å; L207-I216 HydrophobicContact CG-CD1 4.14Å; L207-I216 PolarHBondContact O-N 2.94Å; R209-I216 HydrophobicContact CB-CD1 3.98Å; R209-I216 HydrophobicContact CB-CG1 4.27Å; I216-A218 PolarHBondContact O-N 2.88Å; I216-I223 HydrophobicContact CG2-CD1 3.46Å; I216-I223 VanDerWaalsContact CG2-CD1 3.46Å; I216-V244 HydrophobicContact CD1-CG1 3.89Å
217P93.1Very high93.2Very high71 Ų7167.2 Ų67.246%0.46137%0.374SS..  trans-72.9127.2-176.630.6-34.9000111N219P217-N219 PolarHBondContact O-N 3.3Å
218A90.9Very high93Very high49 Ų4970.5 Ų70.541%0.40539%0.388SS..  trans-88.182.1172.100000110I216 G220 I223 F231I216-A218 PolarHBondContact O-N 2.88Å; A218-G220 PolarHBondContact O-N 3.48Å; A218-I223 CarbonylContact C-O 3.49Å; A218-I223 WeakPolarHBondContact CA-O 3.35Å; A218-I223 HydrophobicContact CB-CG2 4.4Å; A218-F231 HydrophobicContact CB-CD1 4.12Å; A218-F231 HydrophobicContact CB-CE1 3.74Å
219N82Confident92.9Very high117 Ų11774.6 Ų74.663%0.62640%0.402SS*.  trans-75.7-2.4-174.5-66.4-25000114.2P217 T221P217-N219 PolarHBondContact O-N 3.3Å; N219-T221 PolarHBondContact O-N 2.96Å
220G81.9Confident93Very high43 Ų4371 Ų7144%0.44339%0.389SS..SBendtrans80.3-14.9-179.100000115A218 I223 V224A218-G220 PolarHBondContact O-N 3.48Å; G220-I223 WeakPolarHBondContact CA-O 2.95Å; G220-I223 PolarHBondContact N-O 3.07Å; G220-V224 VanDerWaalsContact O-CG2 3.25Å; G220-V224 WeakPolarHBondContact O-CG2 3.44Å
221T84.3Confident93.1Very high116 Ų11669.1 Ų69.171%0.71238%0.38SS*.SBendtrans-96.6-39.8178.551.10000113.5N219 L234N219-T221 PolarHBondContact O-N 2.96Å; T221-L234 WeakPolarHBondContact O-CD1 3.43Å
222D90.4Very high93.3Very high48 Ų4862 Ų6226%0.25735%0.349SS..SBendtrans-103.6-45.6179.5-178.531.5000111L234 H237 H240D222-L234 PolarHBondContact O-N 3.12Å; D222-H237 IonicContact OD1-CE1 3.26Å; D222-H240 IonicContact OD1-CE1 3.62Å; D222-H240 IonicContact OD2-CE1 3.51Å; D222-H240 PolarHBondContact OD2-CE1 3.38Å; D222-H240 IonicContact OD2-NE2 3.52Å; D222-H240 PolarHBondContact OD2-NE2 2.77Å
223I95.7Very high93.5Very high2 Ų257.5 Ų57.51%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-128.1128.4179.3-53.2170.2000109.1L207 I216 A218 G220 F231 V232 Y233L207-I223 HydrophobicContact CD2-CD1 4.48Å; I216-I223 HydrophobicContact CG2-CD1 3.46Å; I216-I223 VanDerWaalsContact CG2-CD1 3.46Å; A218-I223 CarbonylContact C-O 3.49Å; A218-I223 WeakPolarHBondContact CA-O 3.35Å; A218-I223 HydrophobicContact CB-CG2 4.4Å; G220-I223 WeakPolarHBondContact CA-O 2.95Å; G220-I223 PolarHBondContact N-O 3.07Å; I223-F231 HydrophobicContact CG2-CB 4.09Å; I223-F231 HydrophobicContact CG2-CD1 3.82Å; I223-F231 HydrophobicContact CG2-CG 4.4Å; I223-V232 WeakPolarHBondContact CA-O 3.28Å; I223-Y233 HydrophobicContact CD1-CD1 3.86Å; I223-Y233 HydrophobicContact CD1-CE1 3.33Å; I223-Y233 HydrophobicContact CD1-CE2 4.47Å; I223-Y233 HydrophobicContact CG1-CD1 3.66Å; I223-Y233 HydrophobicContact CG1-CE1 3.71Å; I223-Y233 HydrophobicContact CG1-CG 4.23Å
224V96.6Very high93.4Very high51 Ų5156.4 Ų56.431%0.30930%0.302SS..EExtended strand (participates in β ladder)trans-117.6137.3176.3177.30000109G220 V232 L234G220-V224 VanDerWaalsContact O-CG2 3.25Å; G220-V224 WeakPolarHBondContact O-CG2 3.44Å; V224-V232 PolarHBondContact N-O 3.4Å; V224-V232 PolarHBondContact O-N 3.04Å; V224-L234 HydrophobicContact CG2-CD1 3.73Å; V224-L234 HydrophobicContact CG2-CD2 4.47Å; V224-L234 HydrophobicContact CG2-CG 4.21Å
225Y96.5Very high93.2Very high64 Ų6456.8 Ų56.825%0.25131%0.306SS..EExtended strand (participates in β ladder)trans-90.9127.2169.6-175.5-109.4000111.1V198 V205 M227 F231V198-Y225 WeakPolarHBondContact CG1-OH 3.21Å; V205-Y225 HydrophobicContact CB-CD1 4.43Å; V205-Y225 HydrophobicContact CB-CD2 4.42Å; V205-Y225 HydrophobicContact CB-CE1 3.9Å; V205-Y225 HydrophobicContact CB-CE2 3.91Å; V205-Y225 HydrophobicContact CG1-CD2 4.45Å; V205-Y225 HydrophobicContact CG1-CE2 3.82Å; V205-Y225 HydrophobicContact CG2-CE1 3.85Å; V205-Y225 HydrophobicContact CG2-CE2 4.3Å; V205-Y225 WeakPolarHBondContact CG2-OH 3.36Å; Y225-M227 HydrophobicContact CE1-CB 4.4Å; Y225-F231 AromaticContact CD2-CD1 3.9Å; Y225-F231 HydrophobicContact CD2-CD1 3.9Å; Y225-F231 AromaticContact CD2-CD2 3.77Å; Y225-F231 HydrophobicContact CD2-CD2 3.77Å; Y225-F231 AromaticContact CD2-CE1 3.77Å; Y225-F231 HydrophobicContact CD2-CE1 3.77Å; Y225-F231 AromaticContact CD2-CE2 3.65Å; Y225-F231 HydrophobicContact CD2-CE2 3.65Å; Y225-F231 AromaticContact CD2-CG 3.89Å; Y225-F231 HydrophobicContact CD2-CG 3.89Å; Y225-F231 AromaticContact CD2-CZ 3.63Å; Y225-F231 HydrophobicContact CD2-CZ 3.63Å; Y225-F231 HydrophobicContact CE2-CD2 4.21Å; Y225-F231 HydrophobicContact CE2-CE2 4.03Å; Y225-F231 HydrophobicContact CE2-CZ 4.35Å; Y225-F231 HydrophobicContact CG-CD1 4.39Å; Y225-F231 HydrophobicContact CG-CE1 4.06Å; Y225-F231 HydrophobicContact CG-CZ 4.15Å
226D95.5Very high93.1Very high53 Ų5352 Ų5228%0.28328%0.283SS..EExtended strand (participates in β ladder)trans-119.9119.5172.4179.2-29.2000108.7K228 R229 G230 V232D226-K228 PolarHBondContact O-N 3.28Å; D226-K228 VanDerWaalsContact O-N 3.08Å; D226-K228 WeakPolarHBondContact OD1-CA 3.42Å; D226-K228 WeakPolarHBondContact OD1-CB 3.43Å; D226-K228 PolarHBondContact OD1-N 3.28Å; D226-R229 HydrophobicContact CB-CB 4.09Å; D226-R229 PolarHBondContact O-N 3.2Å; D226-R229 VanDerWaalsContact O-N 3.1Å; D226-R229 PolarHBondContact OD1-N 2.86Å; D226-R229 WeakPolarHBondContact OD2-CD 3.39Å; D226-G230 PolarHBondContact N-O 2.68Å; D226-G230 WeakPolarHBondContact O-CA 3.49Å; D226-G230 PolarHBondContact O-N 3.07Å; D226-V232 HydrophobicContact CB-CG2 4.42Å
227M94.2Very high92.8Very high70 Ų7054.1 Ų54.135%0.34529%0.293SS..THydrogen-bonded Turntrans-58.3-25.8-178.463.6174.862.100114.4F166 V198 L201 Y225F166-M227 HydrophobicContact CE1-SD 4.42Å; F166-M227 HydrophobicContact CE2-SD 4.16Å; F166-M227 HydrophobicContact CZ-CG 4Å; F166-M227 HydrophobicContact CZ-SD 3.55Å; F166-M227 VanDerWaalsContact CZ-SD 3.55Å; V198-M227 HydrophobicContact CG2-CB 4Å; L201-M227 HydrophobicContact CD2-CE 4Å; L201-M227 HydrophobicContact CD2-SD 3.43Å; L201-M227 WeakPolarHBondContact CD2-SD 3.42Å; Y225-M227 HydrophobicContact CE1-CB 4.4Å
228K94.6Very high92.7Very high70 Ų7052.8 Ų52.830%0.30429%0.285SS..THydrogen-bonded Turntrans-89.8-20.2-178.5-59.5-176.9177-175.30112.8Y164 R197 D226Y164-K228 HydrophobicContact CD1-CG 4.14Å; Y164-K228 HydrophobicContact CD2-CB 4Å; Y164-K228 HydrophobicContact CD2-CD 3.52Å; Y164-K228 HydrophobicContact CD2-CG 3.64Å; Y164-K228 HydrophobicContact CE1-CG 4.14Å; Y164-K228 HydrophobicContact CE2-CB 3.55Å; Y164-K228 HydrophobicContact CE2-CD 4Å; Y164-K228 HydrophobicContact CE2-CG 3.63Å; Y164-K228 HydrophobicContact CG-CD 3.8Å; Y164-K228 HydrophobicContact CG-CG 3.89Å; R197-K228 WeakPolarHBondContact CD-O 3.37Å; R197-K228 WeakPolarHBondContact CG-O 3.01Å; D226-K228 PolarHBondContact O-N 3.28Å; D226-K228 VanDerWaalsContact O-N 3.08Å; D226-K228 WeakPolarHBondContact OD1-CA 3.42Å; D226-K228 WeakPolarHBondContact OD1-CB 3.43Å; D226-K228 PolarHBondContact OD1-N 3.28Å
229R95.8Very high92.7Very high106 Ų10658.3 Ų58.340%0.430%0.302SS..THydrogen-bonded Turntrans-117.5-40.8-175-62.3175.266.4-163.1-0.5112.9V193 P195 D226 V232V193-R229 HydrophobicContact CG1-CB 4.17Å; V193-R229 VanDerWaalsContact CG1-O 3.3Å; V193-R229 WeakPolarHBondContact CG1-O 3.35Å; P195-R229 WeakPolarHBondContact CA-O 3.47Å; D226-R229 HydrophobicContact CB-CB 4.09Å; D226-R229 PolarHBondContact O-N 3.2Å; D226-R229 VanDerWaalsContact O-N 3.1Å; D226-R229 PolarHBondContact OD1-N 2.86Å; D226-R229 WeakPolarHBondContact OD2-CD 3.39Å; R229-V232 HydrophobicContact CB-CG2 4.42Å
230G97.1Very high93.2Very high0 Ų054.4 Ų54.40%028%0.28CS..EExtended strand (participates in β ladder)trans116.2-152.8-172.700000111.9V194 D226V194-G230 VanDerWaalsContact O-CA 3.3Å; V194-G230 WeakPolarHBondContact O-CA 3.38Å; D226-G230 PolarHBondContact N-O 2.68Å; D226-G230 WeakPolarHBondContact O-CA 3.49Å; D226-G230 PolarHBondContact O-N 3.07Å
231F97.9Very high93.7Very high3 Ų355.3 Ų55.31%0.01327%0.273CS..EExtended strand (participates in β ladder)trans-81122.2172.6-73.7-84.4000110.2V193 V194 V205 L207 A218 I223 Y225 C246V193-F231 CarbonylContact C-O 3.58Å; V193-F231 WeakPolarHBondContact CA-O 3.49Å; V194-F231 HydrophobicContact CB-CB 4.29Å; V194-F231 PolarHBondContact N-O 3.44Å; V194-F231 PolarHBondContact O-N 3.09Å; V194-F231 VanDerWaalsContact O-N 3.09Å; V205-F231 HydrophobicContact CG1-CE2 3.79Å; V205-F231 HydrophobicContact CG1-CZ 4.16Å; L207-F231 HydrophobicContact CB-CD1 4.09Å; L207-F231 HydrophobicContact CB-CD2 3.85Å; L207-F231 HydrophobicContact CB-CE1 3.91Å; L207-F231 HydrophobicContact CB-CE2 3.66Å; L207-F231 HydrophobicContact CB-CG 4.07Å; L207-F231 HydrophobicContact CB-CZ 3.71Å; L207-F231 HydrophobicContact CD1-CD2 3.84Å; L207-F231 HydrophobicContact CD1-CE2 4.27Å; L207-F231 HydrophobicContact CD1-CG 4.29Å; L207-F231 HydrophobicContact CD2-CB 4.16Å; L207-F231 HydrophobicContact CD2-CD1 4.31Å; L207-F231 HydrophobicContact CD2-CD2 4.38Å; L207-F231 HydrophobicContact CD2-CG 4.03Å; L207-F231 HydrophobicContact CG-CD2 4.24Å; L207-F231 HydrophobicContact CG-CE2 4.49Å; L207-F231 HydrophobicContact CG-CG 4.36Å; A218-F231 HydrophobicContact CB-CD1 4.12Å; A218-F231 HydrophobicContact CB-CE1 3.74Å; I223-F231 HydrophobicContact CG2-CB 4.09Å; I223-F231 HydrophobicContact CG2-CD1 3.82Å; I223-F231 HydrophobicContact CG2-CG 4.4Å; Y225-F231 AromaticContact CD2-CD1 3.9Å; Y225-F231 HydrophobicContact CD2-CD1 3.9Å; Y225-F231 AromaticContact CD2-CD2 3.77Å; Y225-F231 HydrophobicContact CD2-CD2 3.77Å; Y225-F231 AromaticContact CD2-CE1 3.77Å; Y225-F231 HydrophobicContact CD2-CE1 3.77Å; Y225-F231 AromaticContact CD2-CE2 3.65Å; Y225-F231 HydrophobicContact CD2-CE2 3.65Å; Y225-F231 AromaticContact CD2-CG 3.89Å; Y225-F231 HydrophobicContact CD2-CG 3.89Å; Y225-F231 AromaticContact CD2-CZ 3.63Å; Y225-F231 HydrophobicContact CD2-CZ 3.63Å; Y225-F231 HydrophobicContact CE2-CD2 4.21Å; Y225-F231 HydrophobicContact CE2-CE2 4.03Å; Y225-F231 HydrophobicContact CE2-CZ 4.35Å; Y225-F231 HydrophobicContact CG-CD1 4.39Å; Y225-F231 HydrophobicContact CG-CE1 4.06Å; Y225-F231 HydrophobicContact CG-CZ 4.15Å; F231-C246 HydrophobicContact CE2-CB 4.36Å
232V97.5Very high94.1Very high5 Ų551 Ų513%0.0325%0.251CS..EExtended strand (participates in β ladder)trans-102.7114.5179.1-173.20000108.5Q191 A192 V193 I223 V224 D226 R229 L234Q191-V232 HydrophobicContact CB-CG1 4.18Å; Q191-V232 HydrophobicContact CG-CG1 4.49Å; A192-V232 CarbonylContact O-C 3.58Å; A192-V232 WeakPolarHBondContact O-CA 3.25Å; V193-V232 HydrophobicContact CG2-CG1 4.38Å; V193-V232 HydrophobicContact CG2-CG2 4.22Å; I223-V232 WeakPolarHBondContact CA-O 3.28Å; V224-V232 PolarHBondContact N-O 3.4Å; V224-V232 PolarHBondContact O-N 3.04Å; D226-V232 HydrophobicContact CB-CG2 4.42Å; R229-V232 HydrophobicContact CB-CG2 4.42Å; V232-L234 HydrophobicContact CG1-CD2 4.19Å; V232-L234 PolarHBondContact O-N 2.91Å
233Y96.4Very high94.4Very high1 Ų150.3 Ų50.30%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-78.7112.1166.8-74.2-98.9000108.1Q191 A192 V194 L207 I223 H240 L262Q191-Y233 VanDerWaalsContact CA-O 3.31Å; Q191-Y233 WeakPolarHBondContact CA-O 3.23Å; A192-Y233 PolarHBondContact N-O 3.2Å; A192-Y233 VanDerWaalsContact N-O 3.12Å; A192-Y233 PolarHBondContact O-N 3.34Å; V194-Y233 HydrophobicContact CG2-CD2 4.36Å; V194-Y233 HydrophobicContact CG2-CE2 3.83Å; L207-Y233 HydrophobicContact CD2-CE2 4.17Å; L207-Y233 WeakPolarHBondContact CD2-OH 3.38Å; I223-Y233 HydrophobicContact CD1-CD1 3.86Å; I223-Y233 HydrophobicContact CD1-CE1 3.33Å; I223-Y233 HydrophobicContact CD1-CE2 4.47Å; I223-Y233 HydrophobicContact CG1-CD1 3.66Å; I223-Y233 HydrophobicContact CG1-CE1 3.71Å; I223-Y233 HydrophobicContact CG1-CG 4.23Å; Y233-H240 HydrophobicContact CD1-CB 4.36Å; Y233-H240 AromaticContact CD1-CE1 3.71Å; Y233-H240 AromaticContact CD1-CG 3.93Å; Y233-H240 AromaticContact CD1-ND1 3.24Å; Y233-H240 WeakPolarHBondContact CD1-ND1 3.49Å; Y233-H240 HydrophobicContact CE1-CB 3.87Å; Y233-H240 AromaticContact CE1-CE1 3.86Å; Y233-H240 AromaticContact CE1-CG 3.59Å; Y233-H240 AromaticContact CE1-ND1 3.39Å; Y233-H240 WeakPolarHBondContact CE1-ND1 3.15Å; Y233-L262 HydrophobicContact CE2-CD2 3.99Å
234L94.2Very high94.5Very high64 Ų6450.4 Ų50.434%0.33525%0.249SC..SBendtrans-73.1-42.2-175.3-65.2178.5000111.5T221 D222 V224 V232T221-L234 WeakPolarHBondContact O-CD1 3.43Å; D222-L234 PolarHBondContact O-N 3.12Å; V224-L234 HydrophobicContact CG2-CD1 3.73Å; V224-L234 HydrophobicContact CG2-CD2 4.47Å; V224-L234 HydrophobicContact CG2-CG 4.21Å; V232-L234 HydrophobicContact CG1-CD2 4.19Å; V232-L234 PolarHBondContact O-N 2.91Å
235Q91.7Very high94.6Very high130 Ų13050.5 Ų50.561%0.60725%0.245SC*.SBendtrans-132.791.6175.2-170.6170.26.900108.6H237Q235-H237 PolarHBondContact O-CE1 2.85Å; Q235-H237 PolarHBondContact O-ND1 2.66Å; Q235-H237 PolarHBondContact O-NE2 2.76Å
236P92.6Very high94.6Very high2 Ų247.5 Ų47.51%0.01323%0.233CC..  trans-67.9139.7-179-20.132.1000113.4L186 N187 R190 A192L186-P236 HydrophobicContact CB-CB 3.72Å; L186-P236 HydrophobicContact CD2-CB 4.09Å; L186-P236 HydrophobicContact CG-CB 4.41Å; N187-P236 WeakPolarHBondContact O-CD 3.14Å; N187-P236 WeakPolarHBondContact O-CG 3.41Å; R190-P236 WeakPolarHBondContact O-CD 3.34Å; R190-P236 WeakPolarHBondContact O-CG 3.46Å; A192-P236 HydrophobicContact CB-CG 3.84Å
237H90.4Very high94.7Very high72 Ų7249.7 Ų49.733%0.33324%0.237SC..  trans-123.2163.9177.4-4095.2000111D222 Q235 E239 H240D222-H237 IonicContact OD1-CE1 3.26Å; Q235-H237 PolarHBondContact O-CE1 2.85Å; Q235-H237 PolarHBondContact O-ND1 2.66Å; Q235-H237 PolarHBondContact O-NE2 2.76Å; H237-E239 PolarHBondContact O-N 3.15Å; H237-H240 AromaticContact CE1-CE1 3.79Å; H237-H240 PolarHBondContact N-ND1 2.97Å; H237-H240 AromaticContact ND1-CE1 3.03Å; H237-H240 PolarHBondContact ND1-CE1 2.51Å; H237-H240 AromaticContact ND1-ND1 3.6Å; H237-H240 AromaticContact ND1-NE2 3.48Å; H237-H240 PolarHBondContact ND1-NE2 2.74Å; H237-H240 WeakPolarHBondContact O-CB 3.41Å; H237-H240 PolarHBondContact O-N 3.13Å; H237-H240 VanDerWaalsContact O-N 3.11Å
238S90.7Very high94.9Very high43 Ų4346.3 Ų46.330%0.30122%0.221SC..G310 helixtrans-58.5-32.3176.355.70000113.4H240 Q241S238-H240 PolarHBondContact O-N 2.97Å; S238-Q241 WeakPolarHBondContact O-CB 3.4Å; S238-Q241 WeakPolarHBondContact O-CG 3.44Å; S238-Q241 PolarHBondContact O-N 3.06Å; S238-Q241 PolarHBondContact O-NE2 2.87Å
239E90.2Very high94.9Very high165 Ų16547 Ų4777%0.77123%0.225SC*.G310 helixtrans-68.9-14179.4-59.1-54.3128.700113.9H237 Q241H237-E239 PolarHBondContact O-N 3.15Å; E239-Q241 VanDerWaalsContact C-N 3.25Å
240H92.3Very high94.9Very high35 Ų3542.7 Ų42.716%0.16221%0.212CC..G310 helixtrans-82.9-2.6177.1-63167.6000113L186 D222 Y233 H237 S238 L262L186-H240 HydrophobicContact CD1-CB 3.59Å; D222-H240 IonicContact OD1-CE1 3.62Å; D222-H240 IonicContact OD2-CE1 3.51Å; D222-H240 PolarHBondContact OD2-CE1 3.38Å; D222-H240 IonicContact OD2-NE2 3.52Å; D222-H240 PolarHBondContact OD2-NE2 2.77Å; Y233-H240 HydrophobicContact CD1-CB 4.36Å; Y233-H240 AromaticContact CD1-CE1 3.71Å; Y233-H240 AromaticContact CD1-CG 3.93Å; Y233-H240 AromaticContact CD1-ND1 3.24Å; Y233-H240 WeakPolarHBondContact CD1-ND1 3.49Å; Y233-H240 HydrophobicContact CE1-CB 3.87Å; Y233-H240 AromaticContact CE1-CE1 3.86Å; Y233-H240 AromaticContact CE1-CG 3.59Å; Y233-H240 AromaticContact CE1-ND1 3.39Å; Y233-H240 WeakPolarHBondContact CE1-ND1 3.15Å; H237-H240 AromaticContact CE1-CE1 3.79Å; H237-H240 PolarHBondContact N-ND1 2.97Å; H237-H240 AromaticContact ND1-CE1 3.03Å; H237-H240 PolarHBondContact ND1-CE1 2.51Å; H237-H240 AromaticContact ND1-ND1 3.6Å; H237-H240 AromaticContact ND1-NE2 3.48Å; H237-H240 PolarHBondContact ND1-NE2 2.74Å; H237-H240 WeakPolarHBondContact O-CB 3.41Å; H237-H240 PolarHBondContact O-N 3.13Å; H237-H240 VanDerWaalsContact O-N 3.11Å; S238-H240 PolarHBondContact O-N 2.97Å; H240-L262 WeakPolarHBondContact O-CD2 3.03Å
241Q92.4Very high94.5Very high62 Ų6246.7 Ų46.729%0.2925%0.253SS..  trans-62.3155.4176.9-73.3-177.659.100112.9L186 S238 E239 G332L186-Q241 HydrophobicContact CD1-CG 4.46Å; S238-Q241 WeakPolarHBondContact O-CB 3.4Å; S238-Q241 WeakPolarHBondContact O-CG 3.44Å; S238-Q241 PolarHBondContact O-N 3.06Å; S238-Q241 PolarHBondContact O-NE2 2.87Å; E239-Q241 VanDerWaalsContact C-N 3.25Å; Q241-G332 PolarHBondContact NE2-O 2.7Å; Q241-G332 PolarHBondContact OE1-O 2.62Å
242G93.8Very high94Very high25 Ų2550.8 Ų50.826%0.25830%0.296SS..EExtended strand (participates in β ladder)trans122.6-169.7176.300000112.3Q261 L262G242-Q261 PolarHBondContact O-NE2 3.45Å; G242-L262 PolarHBondContact N-O 3.35Å; G242-L262 VanDerWaalsContact N-O 3.16Å; G242-L262 WeakPolarHBondContact O-CB 3.17Å; G242-L262 PolarHBondContact O-N 3.03Å
243V96.9Very high93.7Very high34 Ų3457.6 Ų57.621%0.20632%0.321CS..EExtended strand (participates in β ladder)trans-95.2126-178-173.20000109.7E210 K259 Y260 Q261E210-V243 HydrophobicContact CB-CB 4.05Å; E210-V243 HydrophobicContact CB-CG1 4.23Å; E210-V243 PolarHBondContact N-O 2.87Å; E210-V243 VanDerWaalsContact OE2-CG1 3.23Å; E210-V243 WeakPolarHBondContact OE2-CG1 3.43Å; V243-K259 HydrophobicContact CG1-CB 3.83Å; V243-K259 HydrophobicContact CG1-CD 4.14Å; V243-K259 HydrophobicContact CG1-CG 4.22Å; V243-Y260 WeakPolarHBondContact CA-O 3.46Å; V243-Q261 VanDerWaalsContact CG2-OE1 3.24Å
244V97.7Very high93.6Very high3 Ų360.5 Ų60.52%0.01834%0.342CS..EExtended strand (participates in β ladder)trans-124.4158.2176.3-52.10000111.3V194 L207 H208 R209 I216 Y260 L262V194-V244 HydrophobicContact CG1-CG2 4.16Å; V194-V244 HydrophobicContact CG2-CG2 4.02Å; L207-V244 HydrophobicContact CD1-CB 4.11Å; L207-V244 HydrophobicContact CD1-CG2 4.05Å; H208-V244 CarbonylContact O-C 3.55Å; H208-V244 WeakPolarHBondContact O-CA 2.99Å; H208-V244 WeakPolarHBondContact O-CB 3.04Å; R209-V244 HydrophobicContact CB-CG1 4.46Å; I216-V244 HydrophobicContact CD1-CG1 3.89Å; V244-Y260 PolarHBondContact N-O 2.89Å; V244-Y260 PolarHBondContact O-N 2.75Å; V244-L262 HydrophobicContact CG1-CD1 4.43Å; V244-L262 HydrophobicContact CG1-CD2 4.13Å; V244-L262 HydrophobicContact CG2-CD1 3.45Å; V244-L262 VanDerWaalsContact CG2-CD1 3.45Å; V244-L262 HydrophobicContact CG2-CD2 4.19Å; V244-L262 HydrophobicContact CG2-CG 4.49Å
245Y97.6Very high93.7Very high54 Ų5459.6 Ų59.621%0.21234%0.336CS..EExtended strand (participates in β ladder)trans-146.9155.1172.662.1-87.1000109.8H208 I256H208-Y245 HydrophobicContact CB-CD1 4.3Å; H208-Y245 HydrophobicContact CB-CD2 4.12Å; H208-Y245 HydrophobicContact CB-CE1 3.79Å; H208-Y245 HydrophobicContact CB-CE2 3.58Å; H208-Y245 HydrophobicContact CB-CG 4.44Å; H208-Y245 PolarHBondContact N-O 3.03Å; H208-Y245 PolarHBondContact O-N 2.78Å; Y245-I256 HydrophobicContact CD2-CB 4.28Å; Y245-I256 HydrophobicContact CD2-CG2 4.21Å; Y245-I256 HydrophobicContact CE2-CG2 4.19Å
246C97.7Very high93.9Very high0 Ų058.6 Ų58.60%033%0.333CS..EExtended strand (participates in β ladder)trans-97.3145.2176.4-55.40000110F174 C196 V205 T206 F231 I256 S257F174-C246 HydrophobicContact CE1-CB 3.88Å; F174-C246 HydrophobicContact CZ-CB 3.67Å; C196-C246 HydrophobicContact CB-CB 3.43Å; C196-C246 VanDerWaalsContact CB-CB 3.43Å; C196-C246 WeakPolarHBondContact CB-SG 3.49Å; C196-C246 WeakPolarHBondContact SG-CB 3.45Å; C196-C246 CovalentContact SG-SG 2.02Å; C196-C246 PolarHBondContact SG-SG 2.98Å; V205-C246 HydrophobicContact CG1-CB 4.15Å; T206-C246 CarbonylContact O-C 3.6Å; T206-C246 WeakPolarHBondContact O-CA 3.38Å; F231-C246 HydrophobicContact CE2-CB 4.36Å; C246-I256 CarbonylContact O-C 3.59Å; C246-I256 VanDerWaalsContact O-CA 3.32Å; C246-I256 WeakPolarHBondContact O-CA 3.37Å; C246-S257 PolarHBondContact N-OG 2.87Å; C246-S257 PolarHBondContact O-N 3.48Å; C246-S257 PolarHBondContact O-OG 3.25Å
247R97.5Very high94.1Very high99 Ų9959.2 Ų59.237%0.37434%0.338SS..EExtended strand (participates in β ladder)trans-120.5123171.4178.8-179.3176.2-176-4.8108.9V205 T206 E249 S254 Q255 I256V205-R247 CarbonylContact C-O 3.59Å; V205-R247 WeakPolarHBondContact CA-O 3.34Å; T206-R247 PolarHBondContact N-O 3.11Å; T206-R247 PolarHBondContact O-N 2.86Å; T206-R247 PolarHBondContact OG1-O 2.02Å; R247-E249 IonicContact CZ-OE1 2.74Å; R247-E249 VanDerWaalsContact CZ-OE1 3.22Å; R247-E249 IonicContact NE-OE1 2.76Å; R247-E249 PolarHBondContact NE-OE1 3.31Å; R247-E249 IonicContact NH2-OE1 3.84Å; R247-E249 PolarHBondContact NH2-OE1 3.16Å; R247-S254 PolarHBondContact NE-OG 3.49Å; R247-S254 VanDerWaalsContact NE-OG 3.07Å; R247-Q255 WeakPolarHBondContact CA-O 3.2Å; R247-I256 HydrophobicContact CB-CG2 4.44Å; R247-I256 HydrophobicContact CG-CG2 4.45Å
248A97.5Very high94.3Very high0 Ų057.7 Ų57.70%033%0.334CS..EExtended strand (participates in β ladder)trans-110.3140.5176.800000110.5L173 F174 V198 K204 V205 S254 Q255L173-A248 HydrophobicContact CB-CB 3.97Å; L173-A248 HydrophobicContact CD1-CB 4.07Å; L173-A248 WeakPolarHBondContact CD1-O 3.36Å; F174-A248 HydrophobicContact CD2-CB 4.38Å; F174-A248 HydrophobicContact CE1-CB 3.96Å; F174-A248 HydrophobicContact CE2-CB 3.62Å; F174-A248 HydrophobicContact CZ-CB 3.38Å; V198-A248 HydrophobicContact CG1-CB 4.5Å; K204-A248 CarbonylContact O-C 3.55Å; K204-A248 WeakPolarHBondContact O-CA 3.34Å; V205-A248 HydrophobicContact CG2-CB 4.05Å; A248-S254 CarbonylContact O-C 3.56Å; A248-S254 VanDerWaalsContact O-CA 3.25Å; A248-S254 WeakPolarHBondContact O-CA 3.26Å; A248-S254 PolarHBondContact O-OG 3.43Å; A248-Q255 PolarHBondContact N-O 2.88Å; A248-Q255 PolarHBondContact O-N 2.91Å
249E96.3Very high94.6Very high84 Ų8459.8 Ų59.839%0.39334%0.337SS..EExtended strand (participates in β ladder)trans-127.9125.4174.6-64.3-173.5163.600110.8A203 K204 R247 R253A203-E249 WeakPolarHBondContact CA-O 3.18Å; K204-E249 PolarHBondContact N-O 3.29Å; K204-E249 PolarHBondContact O-N 3.24Å; R247-E249 IonicContact CZ-OE1 2.74Å; R247-E249 VanDerWaalsContact CZ-OE1 3.22Å; R247-E249 IonicContact NE-OE1 2.76Å; R247-E249 PolarHBondContact NE-OE1 3.31Å; R247-E249 IonicContact NH2-OE1 3.84Å; R247-E249 PolarHBondContact NH2-OE1 3.16Å; E249-R253 VanDerWaalsContact CA-O 3.28Å; E249-R253 WeakPolarHBondContact CA-O 3.46Å
250A94.6Very high94.9Very high16 Ų1652.3 Ų52.313%0.13230%0.302CS..EExtended strand (participates in β ladder)trans-151.7138.1175.600000110.5L173 V200 A203 G252 R253L173-A250 HydrophobicContact CD1-CB 4.42Å; L173-A250 HydrophobicContact CD2-CB 3.79Å; V200-A250 HydrophobicContact CG1-CB 4.19Å; A203-A250 HydrophobicContact CB-CB 4.15Å; A250-G252 VanDerWaalsContact C-N 3.27Å; A250-G252 PolarHBondContact O-N 2.88Å; A250-R253 PolarHBondContact N-O 2.82Å; A250-R253 PolarHBondContact O-N 3.45Å
251G88.6Confident95.1Very high83 Ų8353.7 Ų53.786%0.85631%0.309SS*.THydrogen-bonded Turntrans5735.6173.700000114.6R253G251-R253 VanDerWaalsContact C-N 3.27Å; G251-R253 PolarHBondContact O-N 2.8Å
252G88.2Confident95.2Very high90 Ų9050.8 Ų50.893%0.92830%0.295SS*.THydrogen-bonded Turntrans74.212.2-17900000114.9A250A250-G252 VanDerWaalsContact C-N 3.27Å; A250-G252 PolarHBondContact O-N 2.88Å
253R90.2Very high95.1Very high147 Ų14750.5 Ų50.556%0.55529%0.288SS*.EExtended strand (participates in β ladder)trans-116.2149.3175.5-62.5-179.9179.9-89.9-8.5110E249 A250 G251E249-R253 VanDerWaalsContact CA-O 3.28Å; E249-R253 WeakPolarHBondContact CA-O 3.46Å; A250-R253 PolarHBondContact N-O 2.82Å; A250-R253 PolarHBondContact O-N 3.45Å; G251-R253 VanDerWaalsContact C-N 3.27Å; G251-R253 PolarHBondContact O-N 2.8Å
254S95.2Very high94.9Very high62 Ų6250.3 Ų50.343%0.43428%0.283SS..EExtended strand (participates in β ladder)trans-124.3139.7173.4-173.50000109.4R247 A248R247-S254 PolarHBondContact NE-OG 3.49Å; R247-S254 VanDerWaalsContact NE-OG 3.07Å; A248-S254 CarbonylContact O-C 3.56Å; A248-S254 VanDerWaalsContact O-CA 3.25Å; A248-S254 WeakPolarHBondContact O-CA 3.26Å; A248-S254 PolarHBondContact O-OG 3.43Å
255Q96.1Very high94.4Very high46 Ų4650.2 Ų50.222%0.21528%0.283CS..EExtended strand (participates in β ladder)trans-130.9147.7171.6-166.9-176.922.500108.7E172 L173 F174 R247 A248E172-Q255 PolarHBondContact OE2-NE2 2.89Å; L173-Q255 HydrophobicContact CB-CB 4.19Å; L173-Q255 HydrophobicContact CD1-CB 4.04Å; L173-Q255 HydrophobicContact CG-CB 4.22Å; F174-Q255 HydrophobicContact CD2-CB 4.36Å; F174-Q255 HydrophobicContact CD2-CG 4.26Å; F174-Q255 HydrophobicContact CE2-CB 4.48Å; F174-Q255 WeakPolarHBondContact CE2-O 3.49Å; F174-Q255 VanDerWaalsContact N-OE1 3.17Å; R247-Q255 WeakPolarHBondContact CA-O 3.2Å; A248-Q255 PolarHBondContact N-O 2.88Å; A248-Q255 PolarHBondContact O-N 2.91Å
256I95.6Very high93.5Very high108 Ų10849.5 Ų49.555%0.55429%0.288SS*.EExtended strand (participates in β ladder)trans-104.6143.216862173.5000109.1Y245 C246 R247Y245-I256 HydrophobicContact CD2-CB 4.28Å; Y245-I256 HydrophobicContact CD2-CG2 4.21Å; Y245-I256 HydrophobicContact CE2-CG2 4.19Å; C246-I256 CarbonylContact O-C 3.59Å; C246-I256 VanDerWaalsContact O-CA 3.32Å; C246-I256 WeakPolarHBondContact O-CA 3.37Å; R247-I256 HydrophobicContact CB-CG2 4.44Å; R247-I256 HydrophobicContact CG-CG2 4.45Å
257S96.3Very high92.4Very high16 Ų1650.9 Ų50.911%0.11230%0.296CS..EExtended strand (participates in β ladder)trans-71.5175.8172.568.10000111C246 Y260C246-S257 PolarHBondContact N-OG 2.87Å; C246-S257 PolarHBondContact O-N 3.48Å; C246-S257 PolarHBondContact O-OG 3.25Å; S257-Y260 WeakPolarHBondContact OG-CE2 3.32Å
258V95.4Very high91.3Very high39 Ų3951.4 Ų51.424%0.23631%0.312CS..EExtended strand (participates in β ladder)trans-58.2164.9158.3-59.50000110.6S179 Y260S179-V258 WeakPolarHBondContact O-CG1 3.34Å; V258-Y260 HydrophobicContact CG2-CE1 3.95Å; V258-Y260 HydrophobicContact CG2-CE2 4.28Å; V258-Y260 WeakPolarHBondContact O-CD2 3.36Å; V258-Y260 VanDerWaalsContact O-CE2 3.26Å; V258-Y260 WeakPolarHBondContact O-CE2 3.46Å
259K96.4Very high90.3Very high87 Ų8755.1 Ų55.138%0.37834%0.338SS..EExtended strand (participates in β ladder)trans-88.3144.1179.3-68.2175175.5-172.60110.6F181 D182 E210 V243F181-K259 VanDerWaalsContact CA-O 3.28Å; F181-K259 WeakPolarHBondContact CA-O 3.49Å; D182-K259 PolarHBondContact N-O 2.85Å; D182-K259 VanDerWaalsContact N-O 3.1Å; E210-K259 IonicContact OE1-NZ 3.51Å; E210-K259 PolarHBondContact OE1-NZ 2.86Å; E210-K259 VanDerWaalsContact OE2-CD 3.24Å; E210-K259 WeakPolarHBondContact OE2-CD 3.38Å; E210-K259 WeakPolarHBondContact OE2-CE 3.3Å; E210-K259 IonicContact OE2-NZ 2.62Å; E210-K259 PolarHBondContact OE2-NZ 3.24Å; V243-K259 HydrophobicContact CG1-CB 3.83Å; V243-K259 HydrophobicContact CG1-CD 4.14Å; V243-K259 HydrophobicContact CG1-CG 4.22Å
260Y97.2Very high89.8Confident8 Ų852.1 Ų52.13%0.03133%0.33CS..EExtended strand (participates in β ladder)trans-118.2123.7179.5-56.6-81.8000109.5D182 V184 V194 P195 C196 V243 V244 S257 V258D182-Y260 HydrophobicContact CB-CD1 3.69Å; D182-Y260 HydrophobicContact CB-CE1 3.93Å; D182-Y260 CarbonylContact O-C 3.55Å; D182-Y260 VanDerWaalsContact O-CA 3.26Å; D182-Y260 WeakPolarHBondContact O-CA 3.42Å; V184-Y260 HydrophobicContact CG2-CD1 4.37Å; V194-Y260 HydrophobicContact CG1-CD1 4.35Å; V194-Y260 HydrophobicContact CG1-CD2 3.34Å; V194-Y260 HydrophobicContact CG1-CE2 3.69Å; V194-Y260 HydrophobicContact CG1-CG 3.7Å; P195-Y260 HydrophobicContact CG-CD1 4.29Å; P195-Y260 HydrophobicContact CG-CE1 3.66Å; C196-Y260 HydrophobicContact CB-CE2 4.11Å; V243-Y260 WeakPolarHBondContact CA-O 3.46Å; V244-Y260 PolarHBondContact N-O 2.89Å; V244-Y260 PolarHBondContact O-N 2.75Å; S257-Y260 WeakPolarHBondContact OG-CE2 3.32Å; V258-Y260 HydrophobicContact CG2-CE1 3.95Å; V258-Y260 HydrophobicContact CG2-CE2 4.28Å; V258-Y260 WeakPolarHBondContact O-CD2 3.36Å; V258-Y260 VanDerWaalsContact O-CE2 3.26Å; V258-Y260 WeakPolarHBondContact O-CE2 3.46Å
261Q95.3Very high89.4Confident65 Ų6554.9 Ų54.930%0.30435%0.347SS..EExtended strand (participates in β ladder)trans-90110.7174.6177.762.666.100109.1D182 V183 V184 G242 V243 L263D182-Q261 PolarHBondContact O-N 2.99Å; V183-Q261 WeakPolarHBondContact CA-O 3.4Å; V183-Q261 HydrophobicContact CG2-CB 4.49Å; V184-Q261 PolarHBondContact N-O 3.11Å; G242-Q261 PolarHBondContact O-NE2 3.45Å; V243-Q261 VanDerWaalsContact CG2-OE1 3.24Å; Q261-L263 HydrophobicContact CG-CD2 3.87Å; Q261-L263 HydrophobicContact CG-CG 4.04Å
262L95Very high89.5Confident0 Ų051.1 Ų51.10%031%0.307CS..EExtended strand (participates in β ladder)trans-88.4122.7177.4-81.656.5000109V184 L186 V194 Y233 H240 G242 V244V184-L262 HydrophobicContact CB-CD1 4.03Å; V184-L262 HydrophobicContact CB-CG 4.22Å; V184-L262 HydrophobicContact CG2-CD1 4.38Å; V184-L262 WeakPolarHBondContact O-CA 3.24Å; L186-L262 HydrophobicContact CD1-CB 3.89Å; L186-L262 HydrophobicContact CD1-CD2 4.28Å; L186-L262 HydrophobicContact CD1-CG 4.35Å; L186-L262 HydrophobicContact CD2-CB 4.39Å; L186-L262 HydrophobicContact CD2-CD2 4.02Å; L186-L262 HydrophobicContact CD2-CG 4.01Å; L186-L262 HydrophobicContact CG-CB 4.1Å; L186-L262 HydrophobicContact CG-CG 4.28Å; V194-L262 HydrophobicContact CG2-CD1 4.13Å; V194-L262 HydrophobicContact CG2-CD2 4.42Å; Y233-L262 HydrophobicContact CE2-CD2 3.99Å; H240-L262 WeakPolarHBondContact O-CD2 3.03Å; G242-L262 PolarHBondContact N-O 3.35Å; G242-L262 VanDerWaalsContact N-O 3.16Å; G242-L262 WeakPolarHBondContact O-CB 3.17Å; G242-L262 PolarHBondContact O-N 3.03Å; V244-L262 HydrophobicContact CG1-CD1 4.43Å; V244-L262 HydrophobicContact CG1-CD2 4.13Å; V244-L262 HydrophobicContact CG2-CD1 3.45Å; V244-L262 VanDerWaalsContact CG2-CD1 3.45Å; V244-L262 HydrophobicContact CG2-CD2 4.19Å; V244-L262 HydrophobicContact CG2-CG 4.49Å
263L92.6Very high89.6Confident20 Ų2050.2 Ų50.211%0.10529%0.287CS..EExtended strand (participates in β ladder)trans-121.6128.4179.8-62.8-177.6000109.3V183 V184 Y185 L186 Q261 L326 T334V183-L263 HydrophobicContact CG1-CD1 3.67Å; V183-L263 HydrophobicContact CG1-CG 4.09Å; V184-L263 PolarHBondContact O-N 3.2Å; Y185-L263 CarbonylContact C-O 3.59Å; Y185-L263 WeakPolarHBondContact CA-O 2.89Å; Y185-L263 HydrophobicContact CD1-CB 4.04Å; Y185-L263 HydrophobicContact CE1-CB 4.31Å; Y185-L263 HydrophobicContact CE1-CD1 4.03Å; L186-L263 PolarHBondContact N-O 3.2Å; Q261-L263 HydrophobicContact CG-CD2 3.87Å; Q261-L263 HydrophobicContact CG-CG 4.04Å; L263-L326 HydrophobicContact CD1-CD1 4.49Å; L263-T334 HydrophobicContact CD1-CG2 4.13Å
264Y91.3Very high89.9Confident30 Ų3044 Ų4412%0.11827%0.265CS..EExtended strand (participates in β ladder)trans-87.5128.1-179.8-172.6-105.3000111.3L186 A266 H333 T334L186-Y264 HydrophobicContact CB-CD2 3.89Å; L186-Y264 CarbonylContact O-C 3.55Å; L186-Y264 WeakPolarHBondContact O-CA 3.37Å; Y264-A266 HydrophobicContact CD1-CB 4.37Å; Y264-A266 HydrophobicContact CE1-CB 3.8Å; Y264-H333 AromaticContact CD1-CD2 3.68Å; Y264-H333 AromaticContact CE1-CD2 3.91Å; Y264-H333 AromaticContact CE1-NE2 3.85Å; Y264-H333 CarbonylContact O-C 3.48Å; Y264-H333 WeakPolarHBondContact O-CA 3.4Å; Y264-T334 PolarHBondContact O-N 3.13Å
265V88.3Confident90Very high1 Ų144.8 Ų44.81%0.00627%0.267CS..  trans-117117.8-176.8-178.10000107.6Y185 L186 N187 P188 V267 P299Y185-V265 HydrophobicContact CD1-CG2 3.52Å; Y185-V265 HydrophobicContact CE1-CG2 4.48Å; Y185-V265 HydrophobicContact CG-CG2 4.01Å; L186-V265 PolarHBondContact O-N 2.72Å; N187-V265 WeakPolarHBondContact OD1-CB 3.33Å; P188-V265 WeakPolarHBondContact CD-O 3.43Å; V265-V267 HydrophobicContact CG1-CB 4.44Å; V265-V267 HydrophobicContact CG1-CG2 4.32Å; V265-P299 HydrophobicContact CG1-CG 4.28Å; V265-P299 HydrophobicContact CG2-CG 3.65Å
266A77.6Confident90.1Very high38 Ų3844.3 Ų44.331%0.31427%0.266SS..  trans-125.263.8174.300000108.8Y264Y264-A266 HydrophobicContact CD1-CB 4.37Å; Y264-A266 HydrophobicContact CE1-CB 3.8Å
267V76.1Confident90.2Very high29 Ų2944.7 Ų44.718%0.17627%0.269CS..  trans-120.1129.1173-173.20000106.9V265 S269 T335V265-V267 HydrophobicContact CG1-CB 4.44Å; V265-V267 HydrophobicContact CG1-CG2 4.32Å; V267-S269 PolarHBondContact O-N 3.08Å; V267-T335 WeakPolarHBondContact CG2-OG1 3.38Å
268P73.1Confident90.2Very high110 Ų11044.4 Ų44.471%0.71427%0.267SS*.  trans-58.5136.3178.2-22.232.2000111.3G270P268-G270 PolarHBondContact O-N 2.85Å
269S77.6Confident90.3Very high78 Ų7846 Ų4655%0.54528%0.28SS..SBendtrans-68.5116.6167.6-56.80000109.1V267 E298V267-S269 PolarHBondContact O-N 3.08Å; S269-E298 VanDerWaalsContact CA-OE1 3.3Å; S269-E298 WeakPolarHBondContact CA-OE1 3.17Å; S269-E298 VanDerWaalsContact CB-OE1 3.27Å; S269-E298 WeakPolarHBondContact CB-OE1 3.5Å; S269-E298 PolarHBondContact OG-OE1 2.89Å
270G84.4Confident90.2Very high21 Ų2144.3 Ų44.322%0.21628%0.279CS..SBendtrans176.3-174-178.900000114P268 N361P268-G270 PolarHBondContact O-N 2.85Å; G270-N361 PolarHBondContact O-ND2 2.98Å
271P87.4Confident90Very high75 Ų7548.3 Ų48.349%0.48730%0.301SS..SBendtrans-54.7149.4173.2-23.633.2000111.5S273P271-S273 PolarHBondContact O-N 3.39Å
272P90.2Very high90Very high4 Ų451 Ų513%0.02631%0.312CS..  trans-62.8131-172.2-18.829.9000113T274 V295 V303 A359 N361 T366P272-T274 PolarHBondContact O-N 3.26Å; P272-T274 VanDerWaalsContact O-N 3.16Å; P272-T274 PolarHBondContact O-OG1 3.03Å; P272-T274 VanDerWaalsContact O-OG1 3.05Å; P272-V295 HydrophobicContact CB-CG1 3.49Å; P272-V295 VanDerWaalsContact CB-CG1 3.49Å; P272-V303 HydrophobicContact CG-CG1 4.46Å; P272-A359 HydrophobicContact CB-CB 4.16Å; P272-A359 HydrophobicContact CG-CB 4.37Å; P272-N361 HydrophobicContact CG-CB 3.98Å; P272-T366 WeakPolarHBondContact O-CB 3.4Å; P272-T366 PolarHBondContact O-OG1 3.39Å
273S91.4Very high89.9Confident71 Ų7151.3 Ų51.350%0.49731%0.314SS..EExtended strand (participates in β ladder)trans-76.7104.3174.6176.70000109.6P271 V295 L296P271-S273 PolarHBondContact O-N 3.39Å; S273-V295 WeakPolarHBondContact O-CA 3.15Å; S273-L296 PolarHBondContact N-O 3.28Å; S273-L296 PolarHBondContact O-N 3.13Å
274T94.9Very high90Very high16 Ų1656.6 Ų56.610%0.09834%0.335CS..EExtended strand (participates in β ladder)trans-113.6139-166.4-49.30000111.9P272 C293 T294 V295 A359 V368P272-T274 PolarHBondContact O-N 3.26Å; P272-T274 VanDerWaalsContact O-N 3.16Å; P272-T274 PolarHBondContact O-OG1 3.03Å; P272-T274 VanDerWaalsContact O-OG1 3.05Å; T274-C293 WeakPolarHBondContact CG2-SG 3.34Å; T274-T294 CarbonylContact C-O 3.57Å; T274-T294 WeakPolarHBondContact CA-O 3.45Å; T274-V295 HydrophobicContact CG2-CG2 3.78Å; T274-A359 HydrophobicContact CG2-CB 4.09Å; T274-A359 WeakPolarHBondContact OG1-CB 3.38Å; T274-V368 HydrophobicContact CG2-CG1 4.2Å; T274-V368 HydrophobicContact CG2-CG2 3.57Å; T274-V368 WeakPolarHBondContact O-CG1 3.43Å
275T97.1Very high90.2Very high78 Ų7859.5 Ų59.548%0.47936%0.36SS..EExtended strand (participates in β ladder)trans-132.6147.9174.556.10000109.8C293 T294T275-C293 CarbonylContact O-C 3.56Å; T275-C293 WeakPolarHBondContact O-CA 3.11Å; T275-T294 PolarHBondContact N-O 3.38Å; T275-T294 PolarHBondContact O-N 3.18Å; T275-T294 PolarHBondContact OG1-O 2.88Å
276I98.3Very high90.4Very high36 Ų3661.2 Ų61.219%0.18538%0.378CS..EExtended strand (participates in β ladder)trans-126.2141.8179.5-169.5164.9000110.8V291 L292 W307 Y355 C357 V368 T370I276-V291 HydrophobicContact CD1-CG1 3.73Å; I276-V291 HydrophobicContact CG1-CG1 3.59Å; I276-L292 CarbonylContact C-O 3.55Å; I276-L292 WeakPolarHBondContact CA-O 2.96Å; I276-W307 HydrophobicContact CD1-CH2 4.28Å; I276-W307 HydrophobicContact CD1-CZ3 3.97Å; I276-Y355 WeakPolarHBondContact CD1-O 3.16Å; I276-C357 HydrophobicContact CD1-CB 4.19Å; I276-V368 HydrophobicContact CB-CB 4.16Å; I276-V368 HydrophobicContact CB-CG2 3.63Å; I276-V368 HydrophobicContact CD1-CG2 4.36Å; I276-V368 HydrophobicContact CG2-CB 3.82Å; I276-V368 HydrophobicContact CG2-CG2 3.88Å; I276-T370 HydrophobicContact CD1-CG2 3.86Å; I276-T370 HydrophobicContact CG1-CG2 3.9Å
277L97.9Very high91.2Very high117 Ų11763.4 Ų63.461%0.61339%0.385SS*.EExtended strand (participates in β ladder)trans-145.5126.2178.8-17866000110.1L292L277-L292 PolarHBondContact N-O 2.8Å; L277-L292 PolarHBondContact O-N 2.96Å
278A97Very high92.2Very high9 Ų966.9 Ų66.97%0.07440%0.402CS..EExtended strand (participates in β ladder)trans-87149.4169.300000111S280 S290 V291 T370 V372A278-S280 VanDerWaalsContact C-N 3.25Å; A278-S280 PolarHBondContact O-N 3.05Å; A278-S290 CarbonylContact C-O 3.54Å; A278-S290 WeakPolarHBondContact CA-O 3.43Å; A278-V291 HydrophobicContact CB-CG2 4.15Å; A278-T370 HydrophobicContact CB-CG2 4.1Å; A278-V372 HydrophobicContact CB-CG2 4.01Å
279S96.6Very high93.3Very high74 Ų7461.8 Ų61.852%0.51737%0.369SS..SBendtrans-62.6-34.8173.258.30000112.1S290S279-S290 WeakPolarHBondContact CB-OG 3.4Å; S279-S290 PolarHBondContact N-O 3.29Å; S279-S290 PolarHBondContact OG-N 3.23Å; S279-S290 VanDerWaalsContact OG-N 3.07Å; S279-S290 PolarHBondContact OG-O 3.08Å
280S94.5Very high94.3Very high51 Ų5160 Ų6036%0.35736%0.357SS..  trans-150.5143.5167.1-175.80000109.7A278 K282A278-S280 VanDerWaalsContact C-N 3.25Å; A278-S280 PolarHBondContact O-N 3.05Å; S280-K282 VanDerWaalsContact C-N 3.33Å; S280-K282 PolarHBondContact OG-N 3.16Å; S280-K282 PolarHBondContact OG-O 2.89Å
281N93.5Very high94.9Very high91 Ų9159.1 Ų59.149%0.48735%0.347SS..SBendtrans-85.4-10.4172.2-65.3-12.8000112.3E373N281-E373 PolarHBondContact O-N 3.09Å
282K94.6Very high95.5Very high123 Ų12357.9 Ų57.954%0.53534%0.336SS..EExtended strand (participates in β ladder)trans-131.2118.7176-68.4-168.4176-163.80109.8S280 E373S280-K282 VanDerWaalsContact C-N 3.33Å; S280-K282 PolarHBondContact OG-N 3.16Å; S280-K282 PolarHBondContact OG-O 2.89Å; K282-E373 CarbonylContact C-O 3.55Å; K282-E373 VanDerWaalsContact CA-O 3.31Å; K282-E373 WeakPolarHBondContact CA-O 3.26Å
283V94.5Very high95.8Very high6 Ų657.7 Ų57.74%0.03634%0.335CS..EExtended strand (participates in β ladder)trans-126.3138.1-171-174.10000108.6D287 V289 F347 V372 E373 S375V283-D287 HydrophobicContact CG1-CB 3.83Å; V283-V289 HydrophobicContact CG1-CB 4.46Å; V283-V289 HydrophobicContact CG2-CB 4.02Å; V283-V289 HydrophobicContact CG2-CG2 3.94Å; V283-F347 HydrophobicContact CB-CD1 3.7Å; V283-F347 HydrophobicContact CB-CE1 3.84Å; V283-F347 HydrophobicContact CB-CG 4.1Å; V283-F347 HydrophobicContact CB-CZ 4.35Å; V283-F347 HydrophobicContact CG1-CB 3.74Å; V283-F347 HydrophobicContact CG1-CD1 3.66Å; V283-F347 HydrophobicContact CG1-CD2 4.33Å; V283-F347 HydrophobicContact CG1-CE1 4.31Å; V283-F347 HydrophobicContact CG1-CG 3.67Å; V283-V372 HydrophobicContact CB-CG1 4.31Å; V283-V372 HydrophobicContact CG2-CG1 3.53Å; V283-E373 PolarHBondContact N-O 2.94Å; V283-S375 PolarHBondContact O-N 3.1Å
284K94.4Very high96.1Very high130 Ų13055.3 Ų55.357%0.56532%0.317SS*.  trans-85.4157.9175.4-63174.8-179.7174.70109.3G286 D287K284-G286 PolarHBondContact O-N 3.5Å; K284-D287 WeakPolarHBondContact CB-OD2 3.36Å; K284-D287 PolarHBondContact O-N 3.05Å
285S94.3Very high96.1Very high92 Ų9254.5 Ų54.564%0.64331%0.313SS*.THydrogen-bonded Turntrans-58130.6174-159.30000110.3D287 F347S285-D287 VanDerWaalsContact C-N 3.33Å; S285-F347 VanDerWaalsContact CA-O 3.31Å; S285-F347 WeakPolarHBondContact CA-O 3.38Å
286G92.9Very high95.8Very high37 Ų3751.9 Ų51.938%0.38130%0.295SS..THydrogen-bonded Turntrans84.7-5.1179.300000116.5K284 D346 F347K284-G286 PolarHBondContact O-N 3.5Å; G286-D346 VanDerWaalsContact CA-OD1 3.26Å; G286-D346 WeakPolarHBondContact CA-OD1 3.09Å; G286-F347 PolarHBondContact N-O 2.83Å; G286-F347 VanDerWaalsContact N-O 3.09Å
287D95.5Very high95.3Very high84 Ų8450.8 Ų50.845%0.44929%0.293SS..  trans-81.2158.8169.2-71.5-18.5000110.3V283 K284 S285 F347V283-D287 HydrophobicContact CG1-CB 3.83Å; K284-D287 WeakPolarHBondContact CB-OD2 3.36Å; K284-D287 PolarHBondContact O-N 3.05Å; S285-D287 VanDerWaalsContact C-N 3.33Å; D287-F347 WeakPolarHBondContact O-CB 3.41Å; D287-F347 PolarHBondContact O-N 3.02Å
288D96Very high94.8Very high102 Ų10246 Ų4655%0.54527%0.268SS..  trans-92.1144.1175.1-58.2-24.8000111.4E345 D346D288-E345 VanDerWaalsContact OD1-CA 3.22Å; D288-E345 WeakPolarHBondContact OD1-CA 3.43Å; D288-D346 PolarHBondContact OD1-N 3.01Å; D288-D346 VanDerWaalsContact OD1-N 3.1Å
289V96.6Very high94.4Very high2 Ų245.8 Ų45.81%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-125139.3173.467.30000111.2V283 T343 V344 F347 V372V283-V289 HydrophobicContact CG1-CB 4.46Å; V283-V289 HydrophobicContact CG2-CB 4.02Å; V283-V289 HydrophobicContact CG2-CG2 3.94Å; V289-T343 WeakPolarHBondContact O-CA 3.42Å; V289-V344 HydrophobicContact CG1-CB 3.87Å; V289-V344 HydrophobicContact CG1-CG2 4.31Å; V289-V344 PolarHBondContact N-O 2.9Å; V289-V344 PolarHBondContact O-N 2.85Å; V289-F347 HydrophobicContact CB-CD2 4.43Å; V289-F347 HydrophobicContact CG1-CD2 3.55Å; V289-F347 HydrophobicContact CG1-CE2 3.88Å; V289-V372 HydrophobicContact CG2-CG1 4.09Å; V289-V372 HydrophobicContact CG2-CG2 4.22Å
290S97.7Very high93.9Very high42 Ų4247.5 Ų47.529%0.29427%0.269SS..EExtended strand (participates in β ladder)trans-123.5139.9171.456.30000110.5A278 S279 I342A278-S290 CarbonylContact C-O 3.54Å; A278-S290 WeakPolarHBondContact CA-O 3.43Å; S279-S290 WeakPolarHBondContact CB-OG 3.4Å; S279-S290 PolarHBondContact N-O 3.29Å; S279-S290 PolarHBondContact OG-N 3.23Å; S279-S290 VanDerWaalsContact OG-N 3.07Å; S279-S290 PolarHBondContact OG-O 3.08Å; S290-I342 CarbonylContact C-O 3.58Å; S290-I342 VanDerWaalsContact CA-O 3.32Å; S290-I342 WeakPolarHBondContact CA-O 3.36Å
291V98.2Very high93.6Very high1 Ų146.7 Ų46.71%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-120.3117.1175.5-1730000108.5I276 A278 W307 V341 I342 Y355 T370 V372I276-V291 HydrophobicContact CD1-CG1 3.73Å; I276-V291 HydrophobicContact CG1-CG1 3.59Å; A278-V291 HydrophobicContact CB-CG2 4.15Å; V291-W307 HydrophobicContact CB-CH2 4.21Å; V291-W307 HydrophobicContact CB-CZ3 4.27Å; V291-W307 HydrophobicContact CG1-CH2 3.89Å; V291-W307 HydrophobicContact CG1-CZ3 3.9Å; V291-W307 WeakPolarHBondContact O-CH2 3.37Å; V291-V341 WeakPolarHBondContact O-CA 3.43Å; V291-I342 HydrophobicContact CB-CG2 3.72Å; V291-I342 HydrophobicContact CG2-CG2 4.42Å; V291-I342 PolarHBondContact N-O 3.49Å; V291-I342 PolarHBondContact O-N 3.05Å; V291-Y355 HydrophobicContact CB-CD1 4.45Å; V291-Y355 HydrophobicContact CG2-CD1 3.82Å; V291-Y355 HydrophobicContact CG2-CD2 4.37Å; V291-Y355 HydrophobicContact CG2-CE1 4.29Å; V291-Y355 HydrophobicContact CG2-CG 3.84Å; V291-T370 HydrophobicContact CG1-CG2 3.59Å; V291-T370 HydrophobicContact CG2-CG2 4.46Å; V291-V372 HydrophobicContact CG2-CG2 4.33Å
292L98.4Very high93.5Very high49 Ų4949.6 Ų49.626%0.25727%0.272SS..EExtended strand (participates in β ladder)trans-97.3119.4-178.4170.163.1000109.9I276 L277 Q339 V341I276-L292 CarbonylContact C-O 3.55Å; I276-L292 WeakPolarHBondContact CA-O 2.96Å; L277-L292 PolarHBondContact N-O 2.8Å; L277-L292 PolarHBondContact O-N 2.96Å; L292-Q339 HydrophobicContact CD1-CB 3.95Å; L292-Q339 HydrophobicContact CD1-CG 4.3Å; L292-V341 HydrophobicContact CB-CG2 4.36Å; L292-V341 HydrophobicContact CD1-CG2 3.51Å
293C98.1Very high93.5Very high0 Ų044.4 Ų44.40%025%0.251CS..EExtended strand (participates in β ladder)trans-97.7127.6165.6-167.70000109.3T274 T275 F305 W307 Q339 S340 C357T274-C293 WeakPolarHBondContact CG2-SG 3.34Å; T275-C293 CarbonylContact O-C 3.56Å; T275-C293 WeakPolarHBondContact O-CA 3.11Å; C293-F305 HydrophobicContact CB-CE1 4.4Å; C293-W307 HydrophobicContact CB-CH2 3.67Å; C293-W307 HydrophobicContact CB-CZ2 3.49Å; C293-W307 VanDerWaalsContact CB-CZ2 3.49Å; C293-Q339 CarbonylContact O-C 3.59Å; C293-Q339 VanDerWaalsContact O-CA 3.27Å; C293-Q339 WeakPolarHBondContact O-CA 3.36Å; C293-S340 PolarHBondContact N-O 3.32Å; C293-S340 PolarHBondContact O-N 3.17Å; C293-C357 HydrophobicContact CB-CB 3.6Å; C293-C357 WeakPolarHBondContact CB-SG 3.32Å; C293-C357 WeakPolarHBondContact SG-CB 3.31Å; C293-C357 CovalentContact SG-SG 2.04Å; C293-C357 PolarHBondContact SG-SG 2.91Å
294T97.3Very high93.6Very high21 Ų2150.1 Ų50.113%0.12928%0.277CS..EExtended strand (participates in β ladder)trans-124.9132-178-64.70000110T274 T275 L337 Q339T274-T294 CarbonylContact C-O 3.57Å; T274-T294 WeakPolarHBondContact CA-O 3.45Å; T275-T294 PolarHBondContact N-O 3.38Å; T275-T294 PolarHBondContact O-N 3.18Å; T275-T294 PolarHBondContact OG1-O 2.88Å; T294-L337 HydrophobicContact CG2-CD1 3.39Å; T294-L337 HydrophobicContact CG2-CG 4.5Å; T294-Q339 HydrophobicContact CG2-CG 4.29Å; T294-Q339 PolarHBondContact OG1-NE2 2.91Å
295V95.1Very high93.7Very high0 Ų045 Ų450%026%0.255CS..EExtended strand (participates in β ladder)trans-127.1137.3-176.1174.70000110.1P272 S273 T274 V303 F305 L337 S338 A359P272-V295 HydrophobicContact CB-CG1 3.49Å; P272-V295 VanDerWaalsContact CB-CG1 3.49Å; S273-V295 WeakPolarHBondContact O-CA 3.15Å; T274-V295 HydrophobicContact CG2-CG2 3.78Å; V295-V303 HydrophobicContact CB-CG1 4.49Å; V295-V303 HydrophobicContact CG1-CG1 4.13Å; V295-V303 HydrophobicContact CG1-CG2 3.89Å; V295-V303 HydrophobicContact CG2-CG1 4.29Å; V295-F305 HydrophobicContact CB-CE1 4.36Å; V295-F305 HydrophobicContact CB-CZ 4.12Å; V295-F305 HydrophobicContact CG2-CE1 3.45Å; V295-F305 VanDerWaalsContact CG2-CE1 3.45Å; V295-F305 HydrophobicContact CG2-CZ 3.69Å; V295-L337 WeakPolarHBondContact O-CA 3.44Å; V295-S338 PolarHBondContact N-O 3.44Å; V295-S338 PolarHBondContact O-N 2.87Å; V295-A359 HydrophobicContact CG2-CB 3.53Å
296L91.1Very high93.9Very high22 Ų2244 Ų4412%0.11525%0.245CC..EExtended strand (participates in β ladder)trans-116131.2175.2-62.1150.9000109S273 I327 R329 T335 R336 L337S273-L296 PolarHBondContact N-O 3.28Å; S273-L296 PolarHBondContact O-N 3.13Å; L296-I327 HydrophobicContact CD2-CD1 4.21Å; L296-R329 VanDerWaalsContact CD1-CZ 3.42Å; L296-R329 VanDerWaalsContact CD2-CZ 3.43Å; L296-R329 VanDerWaalsContact CD2-NH2 3.29Å; L296-T335 HydrophobicContact CD2-CG2 4.35Å; L296-R336 WeakPolarHBondContact CA-O 3.42Å; L296-L337 HydrophobicContact CD2-CD1 3.69Å; L296-L337 HydrophobicContact CG-CD1 4.42Å
297G87.6Confident94.1Very high13 Ų1342.9 Ų42.913%0.13423%0.229CC..EExtended strand (participates in β ladder)trans-157-176.7-174.300000114T335 R336G297-T335 PolarHBondContact O-OG1 2.96Å; G297-R336 PolarHBondContact N-O 2.54Å; G297-R336 PolarHBondContact O-N 2.85Å
298E87.3Confident94.2Very high18 Ų1843 Ų438%0.08423%0.229CC..  trans-65142.5170.6-72.2-174.1-142.500110.8R190 S269 D300 V301 R336R190-E298 IonicContact CZ-OE2 2.77Å; R190-E298 VanDerWaalsContact CZ-OE2 3.3Å; R190-E298 IonicContact NH1-OE2 3.4Å; R190-E298 PolarHBondContact NH1-OE2 3.49Å; R190-E298 IonicContact NH2-OE2 3.18Å; R190-E298 PolarHBondContact NH2-OE2 3.4Å; S269-E298 VanDerWaalsContact CA-OE1 3.3Å; S269-E298 WeakPolarHBondContact CA-OE1 3.17Å; S269-E298 VanDerWaalsContact CB-OE1 3.27Å; S269-E298 WeakPolarHBondContact CB-OE1 3.5Å; S269-E298 PolarHBondContact OG-OE1 2.89Å; E298-D300 VanDerWaalsContact C-N 3.34Å; E298-D300 PolarHBondContact O-N 2.8Å; E298-V301 HydrophobicContact CB-CB 4.13Å; E298-V301 HydrophobicContact CB-CG2 3.73Å; E298-V301 PolarHBondContact O-N 3.1Å; E298-R336 WeakPolarHBondContact O-CB 3.26Å
299P87.8Confident94.3Very high3 Ų339.1 Ų39.12%0.01921%0.207CC..THydrogen-bonded Turntrans-49-46.4178.7-34.541.4000115.8Y185 V265 L326 T334 R336Y185-P299 HydrophobicContact CD1-CB 3.83Å; Y185-P299 HydrophobicContact CD1-CG 3.75Å; Y185-P299 HydrophobicContact CE1-CB 3.22Å; Y185-P299 HydrophobicContact CE1-CG 3.52Å; Y185-P299 HydrophobicContact CE2-CB 4.04Å; Y185-P299 HydrophobicContact CG-CB 4.4Å; Y185-P299 WeakPolarHBondContact OH-CB 3.28Å; V265-P299 HydrophobicContact CG1-CG 4.28Å; V265-P299 HydrophobicContact CG2-CG 3.65Å; P299-L326 HydrophobicContact CB-CD2 3.75Å; P299-L326 HydrophobicContact CG-CD2 4.16Å; P299-T334 HydrophobicContact CG-CG2 4.19Å; P299-R336 PolarHBondContact O-NH1 2.98Å; P299-R336 VanDerWaalsContact O-NH1 3.08Å
300D86.1Confident94.1Very high111 Ų11141.1 Ų41.159%0.59422%0.22SC*.THydrogen-bonded Turntrans-90.63.2-173.7-67.1-24.7000114Y185 E298Y185-D300 WeakPolarHBondContact CD2-OD2 3.24Å; Y185-D300 WeakPolarHBondContact CE2-OD1 3.45Å; Y185-D300 WeakPolarHBondContact CE2-OD2 3.23Å; Y185-D300 PolarHBondContact OH-OD1 2.81Å; E298-D300 VanDerWaalsContact C-N 3.34Å; E298-D300 PolarHBondContact O-N 2.8Å
301V88.7Confident93.8Very high34 Ų3439.1 Ų39.121%0.20621%0.206CC..  trans-99.7112179.2179.10000108.8E298 R336 N361E298-V301 HydrophobicContact CB-CB 4.13Å; E298-V301 HydrophobicContact CB-CG2 3.73Å; E298-V301 PolarHBondContact O-N 3.1Å; V301-R336 WeakPolarHBondContact O-CD 3.42Å; V301-N361 HydrophobicContact CG1-CB 3.66Å
302E91Very high93.5Very high151 Ų15143.3 Ų43.371%0.70623%0.226SC*.  trans-71.1149.6172.2-170.8164.3-153.100111
303V94.4Very high93.1Very high15 Ų1550.5 Ų50.59%0.09126%0.255CS..  trans-124.7125.6-179.3177.80000107.9P272 V295 F305 A359 Q360P272-V303 HydrophobicContact CG-CG1 4.46Å; V295-V303 HydrophobicContact CB-CG1 4.49Å; V295-V303 HydrophobicContact CG1-CG1 4.13Å; V295-V303 HydrophobicContact CG1-CG2 3.89Å; V295-V303 HydrophobicContact CG2-CG1 4.29Å; V303-F305 HydrophobicContact CG1-CE1 4.32Å; V303-F305 HydrophobicContact CG1-CE2 4.15Å; V303-F305 HydrophobicContact CG1-CZ 4.04Å; V303-A359 HydrophobicContact CG1-CB 3.83Å; V303-Q360 CarbonylContact C-O 3.58Å; V303-Q360 WeakPolarHBondContact CA-O 3.21Å
304E96.7Very high92.8Very high126 Ų12656.1 Ų56.159%0.58929%0.285SS*.EExtended strand (participates in β ladder)trans-93.7132.6173.4-175.4175-171.900109.5A359 Q360E304-A359 CarbonylContact O-C 3.59Å; E304-A359 WeakPolarHBondContact O-CA 3.14Å; E304-Q360 PolarHBondContact N-O 2.95Å; E304-Q360 PolarHBondContact O-N 3.4Å
305F97.7Very high92.5Very high23 Ų2363.5 Ų63.510%0.10132%0.318CS..EExtended strand (participates in β ladder)trans-106140.2179-68.7-81.6000111.3C293 V295 V303 S340 T358 A359C293-F305 HydrophobicContact CB-CE1 4.4Å; V295-F305 HydrophobicContact CB-CE1 4.36Å; V295-F305 HydrophobicContact CB-CZ 4.12Å; V295-F305 HydrophobicContact CG2-CE1 3.45Å; V295-F305 VanDerWaalsContact CG2-CE1 3.45Å; V295-F305 HydrophobicContact CG2-CZ 3.69Å; V303-F305 HydrophobicContact CG1-CE1 4.32Å; V303-F305 HydrophobicContact CG1-CE2 4.15Å; V303-F305 HydrophobicContact CG1-CZ 4.04Å; F305-S340 VanDerWaalsContact CG-CB 3.44Å; F305-T358 CarbonylContact C-O 3.55Å; F305-T358 WeakPolarHBondContact CA-O 3.49Å; F305-A359 HydrophobicContact CD1-CB 4.2Å; F305-A359 HydrophobicContact CE1-CB 4.1Å
306T97.7Very high92.4Very high70 Ų7065.1 Ų65.143%0.42932%0.324SS..EExtended strand (participates in β ladder)trans-135.5135.6172.6-55.80000109.7T358T306-T358 PolarHBondContact N-O 3.07Å; T306-T358 PolarHBondContact O-N 3.02Å
307W97.9Very high92.6Very high13 Ų1368.7 Ų68.75%0.04935%0.349CS..EExtended strand (participates in β ladder)trans-113.2142.1-178.8-72.295.5000112.3I276 V291 C293 Q312 I320 S340 I342 I356 C357I276-W307 HydrophobicContact CD1-CH2 4.28Å; I276-W307 HydrophobicContact CD1-CZ3 3.97Å; V291-W307 HydrophobicContact CB-CH2 4.21Å; V291-W307 HydrophobicContact CB-CZ3 4.27Å; V291-W307 HydrophobicContact CG1-CH2 3.89Å; V291-W307 HydrophobicContact CG1-CZ3 3.9Å; V291-W307 WeakPolarHBondContact O-CH2 3.37Å; C293-W307 HydrophobicContact CB-CH2 3.67Å; C293-W307 HydrophobicContact CB-CZ2 3.49Å; C293-W307 VanDerWaalsContact CB-CZ2 3.49Å; W307-Q312 PolarHBondContact O-NE2 3.29Å; W307-I320 HydrophobicContact CB-CD1 4.43Å; W307-I320 HydrophobicContact CG-CD1 4.42Å; W307-S340 PolarHBondContact NE1-OG 3.08Å; W307-I342 HydrophobicContact CB-CD1 4.27Å; W307-I342 HydrophobicContact CD2-CB 4.09Å; W307-I342 HydrophobicContact CD2-CD1 4.5Å; W307-I342 HydrophobicContact CD2-CG2 3.84Å; W307-I342 HydrophobicContact CE3-CB 4.38Å; W307-I342 HydrophobicContact CE3-CG2 3.64Å; W307-I342 HydrophobicContact CG-CB 4.47Å; W307-I342 HydrophobicContact CG-CD1 4.35Å; W307-I342 HydrophobicContact CH2-CG2 3.68Å; W307-I342 HydrophobicContact CZ2-CB 4.32Å; W307-I342 HydrophobicContact CZ2-CG2 3.89Å; W307-I342 HydrophobicContact CZ3-CG2 3.56Å; W307-I356 CarbonylContact C-O 3.53Å; W307-I356 WeakPolarHBondContact CA-O 3.41Å; W307-C357 HydrophobicContact CD2-CB 4.29Å; W307-C357 HydrophobicContact CE3-CB 3.97Å; W307-C357 HydrophobicContact CH2-CB 3.78Å; W307-C357 HydrophobicContact CZ2-CB 4.07Å; W307-C357 HydrophobicContact CZ3-CB 3.72Å
308I97.6Very high93Very high87 Ų8770.1 Ų70.145%0.44636%0.355SS..EExtended strand (participates in β ladder)trans-124.2131.1164.4-55.6171.5000107.3I356I308-I356 HydrophobicContact CB-CB 4.17Å; I308-I356 PolarHBondContact N-O 3.25Å; I308-I356 PolarHBondContact O-N 3.24Å
309F96.6Very high93.4Very high21 Ų2172.2 Ų72.29%0.09237%0.369CS..  trans-146158.5-176.559.8-87000111.9G311 Q312 R316 V318 I342 Y355F309-G311 PolarHBondContact O-N 2.88Å; F309-Q312 HydrophobicContact CD1-CB 4.16Å; F309-Q312 HydrophobicContact CD1-CG 4.42Å; F309-Q312 HydrophobicContact CD2-CB 4.06Å; F309-Q312 HydrophobicContact CE1-CB 3.94Å; F309-Q312 HydrophobicContact CE1-CG 3.89Å; F309-Q312 HydrophobicContact CE2-CB 3.84Å; F309-Q312 HydrophobicContact CE2-CG 4.5Å; F309-Q312 HydrophobicContact CG-CB 4.21Å; F309-Q312 HydrophobicContact CZ-CB 3.78Å; F309-Q312 HydrophobicContact CZ-CG 3.94Å; F309-Q312 VanDerWaalsContact O-CB 3.27Å; F309-Q312 WeakPolarHBondContact O-CB 3.39Å; F309-Q312 PolarHBondContact O-N 2.8Å; F309-R316 HydrophobicContact CE2-CB 4.25Å; F309-V318 HydrophobicContact CD2-CG1 4.2Å; F309-V318 HydrophobicContact CE1-CG2 4.03Å; F309-V318 HydrophobicContact CE2-CG1 3.67Å; F309-V318 HydrophobicContact CE2-CG2 4.43Å; F309-V318 HydrophobicContact CZ-CB 4.49Å; F309-V318 HydrophobicContact CZ-CG1 3.86Å; F309-V318 HydrophobicContact CZ-CG2 3.75Å; F309-I342 HydrophobicContact CB-CD1 4.35Å; F309-I342 HydrophobicContact CD1-CD1 3.59Å; F309-I342 HydrophobicContact CE1-CD1 4.01Å; F309-I342 HydrophobicContact CG-CD1 3.99Å; F309-Y355 HydrophobicContact CB-CD1 3.87Å; F309-Y355 HydrophobicContact CB-CE1 3.97Å
310P93.7Very high93.9Very high44 Ų4475.9 Ų75.929%0.28639%0.388SS..THydrogen-bonded Turntrans-60.7-36.8-166.2-28.339.6000115.8I350 Y354 Y355P310-I350 CarbonylContact C-O 3.56Å; P310-I350 WeakPolarHBondContact CB-O 3.42Å; P310-Y354 WeakPolarHBondContact CD-O 3.27Å; P310-Y355 HydrophobicContact CG-CE2 4.43Å
311G90.4Very high94.5Very high0 Ų076.6 Ų76.60%039%0.387CS..THydrogen-bonded Turntrans-88.69.1178.500000116F309 K313 D314 E315 R316 I350F309-G311 PolarHBondContact O-N 2.88Å; G311-K313 VanDerWaalsContact C-N 3.33Å; G311-K313 PolarHBondContact O-N 2.8Å; G311-D314 PolarHBondContact O-N 2.82Å; G311-E315 PolarHBondContact O-N 2.9Å; G311-R316 WeakPolarHBondContact O-CB 3.45Å; G311-R316 PolarHBondContact O-N 2.84Å; G311-R316 VanDerWaalsContact O-N 3.16Å; G311-I350 PolarHBondContact N-O 2.89Å
312Q92.1Very high94.9Very high89 Ų8979.3 Ų79.342%0.41640%0.4SS..G310 helixtrans-64.1-34.1-171.3-173.2174.219.700113.8W307 F309 D314 E315W307-Q312 PolarHBondContact O-NE2 3.29Å; F309-Q312 HydrophobicContact CD1-CB 4.16Å; F309-Q312 HydrophobicContact CD1-CG 4.42Å; F309-Q312 HydrophobicContact CD2-CB 4.06Å; F309-Q312 HydrophobicContact CE1-CB 3.94Å; F309-Q312 HydrophobicContact CE1-CG 3.89Å; F309-Q312 HydrophobicContact CE2-CB 3.84Å; F309-Q312 HydrophobicContact CE2-CG 4.5Å; F309-Q312 HydrophobicContact CG-CB 4.21Å; F309-Q312 HydrophobicContact CZ-CB 3.78Å; F309-Q312 HydrophobicContact CZ-CG 3.94Å; F309-Q312 VanDerWaalsContact O-CB 3.27Å; F309-Q312 WeakPolarHBondContact O-CB 3.39Å; F309-Q312 PolarHBondContact O-N 2.8Å; Q312-D314 VanDerWaalsContact C-N 3.29Å; Q312-E315 PolarHBondContact O-N 2.04Å
313K91.1Very high95.2Very high200 Ų20075.9 Ų75.987%0.8739%0.39SS*.G310 helixtrans-72.6-25.5178.7-70.6-176.8-179.5175.50112.9G311G311-K313 VanDerWaalsContact C-N 3.33Å; G311-K313 PolarHBondContact O-N 2.8Å
314D91.1Very high95.2Very high118 Ų11882.3 Ų82.363%0.63141%0.413SS*.G310 helixtrans-91.112.5179.5-54.2-70.5000111.5G311 Q312 R316G311-D314 PolarHBondContact O-N 2.82Å; Q312-D314 VanDerWaalsContact C-N 3.29Å; D314-R316 PolarHBondContact O-N 2.77Å; D314-R316 VanDerWaalsContact O-N 3.15Å
315E91Very high95Very high175 Ų17582.9 Ų82.982%0.81841%0.41SS*.THydrogen-bonded Turntrans54.431.3-178.6-58.6-175.1169.600113.2G311 Q312 P317G311-E315 PolarHBondContact O-N 2.9Å; Q312-E315 PolarHBondContact O-N 2.04Å; E315-P317 WeakPolarHBondContact O-CD 3.04Å
316R93.5Very high94.6Very high34 Ų3484.7 Ų84.713%0.12842%0.42CS..  trans-51.1122.3177.1176.366.2171.5102.1-18.6110.5F309 G311 D314 V318 E345 D346 D351F309-R316 HydrophobicContact CE2-CB 4.25Å; G311-R316 WeakPolarHBondContact O-CB 3.45Å; G311-R316 PolarHBondContact O-N 2.84Å; G311-R316 VanDerWaalsContact O-N 3.16Å; D314-R316 PolarHBondContact O-N 2.77Å; D314-R316 VanDerWaalsContact O-N 3.15Å; R316-V318 PolarHBondContact O-N 2.86Å; R316-E345 PolarHBondContact NH1-O 3.32Å; R316-E345 PolarHBondContact NH2-O 2.92Å; R316-D346 PolarHBondContact NH2-O 2.93Å; R316-D351 WeakPolarHBondContact CD-OD1 3.21Å; R316-D351 VanDerWaalsContact CG-OD1 3.27Å; R316-D351 WeakPolarHBondContact CG-OD1 3.27Å; R316-D351 IonicContact CZ-OD1 3.92Å; R316-D351 IonicContact CZ-OD2 3.49Å; R316-D351 IonicContact NE-OD1 2.93Å; R316-D351 PolarHBondContact NE-OD1 2.93Å; R316-D351 IonicContact NE-OD2 3.07Å; R316-D351 PolarHBondContact NE-OD2 2.93Å; R316-D351 VanDerWaalsContact NE-OD2 3.07Å; R316-D351 IonicContact NH2-OD2 3.02Å; R316-D351 PolarHBondContact NH2-OD2 3.44Å
317P94.1Very high94.2Very high98 Ų9882.6 Ų82.664%0.63641%0.406SS*.  trans-63.9131.1178.7-24.434.7000111.4E315E315-P317 WeakPolarHBondContact O-CD 3.04Å
318V96.4Very high93.5Very high42 Ų4288.2 Ų88.226%0.25543%0.432SS..  trans-139.3150.2175.5-59.80000109.8F309 R316 I320 I342 T343 V344F309-V318 HydrophobicContact CD2-CG1 4.2Å; F309-V318 HydrophobicContact CE1-CG2 4.03Å; F309-V318 HydrophobicContact CE2-CG1 3.67Å; F309-V318 HydrophobicContact CE2-CG2 4.43Å; F309-V318 HydrophobicContact CZ-CB 4.49Å; F309-V318 HydrophobicContact CZ-CG1 3.86Å; F309-V318 HydrophobicContact CZ-CG2 3.75Å; R316-V318 PolarHBondContact O-N 2.86Å; V318-I320 HydrophobicContact CG2-CD1 4.28Å; V318-I320 HydrophobicContact CG2-CG1 4.23Å; V318-I342 HydrophobicContact CB-CD1 4.17Å; V318-I342 HydrophobicContact CB-CG1 4Å; V318-I342 HydrophobicContact CG1-CD1 4.25Å; V318-I342 HydrophobicContact CG1-CG1 4.39Å; V318-I342 HydrophobicContact CG2-CD1 4.06Å; V318-I342 HydrophobicContact CG2-CG1 4.23Å; V318-T343 WeakPolarHBondContact CA-O 3.44Å; V318-V344 HydrophobicContact CG1-CG2 3.87Å
319T97.1Very high92.4Very high63 Ų6390 Ų9039%0.38743%0.434SS..EExtended strand (participates in β ladder)trans-102.1123.5170.9-64.80000109Q321 I342 T343T319-Q321 HydrophobicContact CG2-CG 4.07Å; T319-I342 CarbonylContact O-C 3.55Å; T319-I342 WeakPolarHBondContact O-CA 2.96Å; T319-T343 PolarHBondContact N-O 3.31Å; T319-T343 PolarHBondContact O-N 3.44Å
320I97.6Very high91Very high80 Ų8092.1 Ų92.141%0.4146%0.461SS..EExtended strand (participates in β ladder)trans-113127.8175-60.6172.3000108.8W307 V318 V341 I342W307-I320 HydrophobicContact CB-CD1 4.43Å; W307-I320 HydrophobicContact CG-CD1 4.42Å; V318-I320 HydrophobicContact CG2-CD1 4.28Å; V318-I320 HydrophobicContact CG2-CG1 4.23Å; I320-V341 CarbonylContact C-O 3.59Å; I320-V341 VanDerWaalsContact CA-O 3.31Å; I320-V341 WeakPolarHBondContact CA-O 3.48Å; I320-I342 HydrophobicContact CD1-CD1 4.41Å; I320-I342 HydrophobicContact CG1-CB 4.21Å; I320-I342 HydrophobicContact CG1-CD1 4.34Å; I320-I342 HydrophobicContact CG1-CG1 3.98Å
321Q97.7Very high89.7Confident126 Ų12697.4 Ų97.459%0.58949%0.486SS*.EExtended strand (participates in β ladder)trans-129.3118.5178.7-69-178.8-4.600110.8T319 S340 V341T319-Q321 HydrophobicContact CG2-CG 4.07Å; Q321-S340 WeakPolarHBondContact O-CA 3.3Å; Q321-V341 PolarHBondContact N-O 3.16Å; Q321-V341 PolarHBondContact O-N 3.18Å
322D97.4Very high88.6Confident90 Ų9098.7 Ų98.748%0.48150%0.499SS..EExtended strand (participates in β ladder)trans-102.5131.6176.9-64.7-9.8000109.9Q339 S340D322-Q339 CarbonylContact C-O 3.6Å; D322-Q339 WeakPolarHBondContact CA-O 3.48Å; D322-S340 WeakPolarHBondContact OD1-CB 3.42Å; D322-S340 PolarHBondContact OD1-OG 3.4Å
323T96.6Very high88.1Confident79 Ų7996.7 Ų96.749%0.48549%0.49SS..EExtended strand (participates in β ladder)trans-138.6156.8178.960.40000110.5S338 Q339T323-S338 CarbonylContact O-C 3.6Å; T323-S338 WeakPolarHBondContact O-CA 3.48Å; T323-Q339 PolarHBondContact N-O 2.8Å; T323-Q339 PolarHBondContact O-N 2.81Å
324W94.9Very high87.9Confident150 Ų15087.2 Ų87.257%0.56845%0.449SS*.EExtended strand (participates in β ladder)trans-145.5155.3171.672.5-88.7000111.3L326 R336 L337W324-L326 HydrophobicContact CZ3-CD2 4.35Å; W324-L326 HydrophobicContact CZ3-CG 4.17Å; W324-R336 HydrophobicContact CE3-CG 4.28Å; W324-R336 VanDerWaalsContact CG-NH2 3.3Å; W324-L337 CarbonylContact C-O 3.59Å; W324-L337 WeakPolarHBondContact CA-O 3.38Å
325R92.6Very high87.8Confident139 Ų13981.8 Ų81.853%0.52542%0.42SS..EExtended strand (participates in β ladder)trans-154156171.260.7-176.4-179.3108.22.7111.2I327 L337R325-I327 HydrophobicContact CG-CG2 3.9Å; R325-I327 VanDerWaalsContact CZ-CG2 3.44Å; R325-L337 HydrophobicContact CG-CB 4.28Å; R325-L337 HydrophobicContact CG-CD2 4.37Å; R325-L337 PolarHBondContact N-O 2.9Å; R325-L337 PolarHBondContact O-N 2.78Å
326L90.1Very high87.8Confident61 Ų6174.6 Ų74.632%0.31939%0.385SS..EExtended strand (participates in β ladder)trans-79.5134.2165.8-61.2-178.4000109.5L263 P299 W324 T334L263-L326 HydrophobicContact CD1-CD1 4.49Å; P299-L326 HydrophobicContact CB-CD2 3.75Å; P299-L326 HydrophobicContact CG-CD2 4.16Å; W324-L326 HydrophobicContact CZ3-CD2 4.35Å; W324-L326 HydrophobicContact CZ3-CG 4.17Å; L326-T334 HydrophobicContact CB-CG2 4.18Å; L326-T334 HydrophobicContact CD1-CG2 4.27Å; L326-T334 HydrophobicContact CD2-CG2 4.28Å; L326-T334 HydrophobicContact CG-CG2 4.47Å
327I88.3Confident87.8Confident25 Ų2573.6 Ų73.613%0.12838%0.382CS..EExtended strand (participates in β ladder)trans-124.9146.5174.666170.6000110.1L296 R325 R329 T334 T335 L337L296-I327 HydrophobicContact CD2-CD1 4.21Å; R325-I327 HydrophobicContact CG-CG2 3.9Å; R325-I327 VanDerWaalsContact CZ-CG2 3.44Å; I327-R329 HydrophobicContact CD1-CG 4.14Å; I327-R329 HydrophobicContact CG1-CG 4.45Å; I327-T334 WeakPolarHBondContact O-CA 3.33Å; I327-T335 HydrophobicContact CD1-CG2 3.84Å; I327-T335 HydrophobicContact CG1-CG2 3.39Å; I327-T335 PolarHBondContact N-O 2.88Å; I327-T335 PolarHBondContact O-N 2.91Å; I327-L337 HydrophobicContact CD1-CB 4.02Å; I327-L337 HydrophobicContact CD1-CD1 4.45Å; I327-L337 HydrophobicContact CD1-CD2 4.47Å; I327-L337 HydrophobicContact CG1-CB 4.22Å; I327-L337 HydrophobicContact CG2-CB 3.97Å; I327-L337 HydrophobicContact CG2-CD2 4.21Å
328H83.4Confident87.9Confident131 Ų13169.1 Ų69.161%0.60635%0.353SS*.EExtended strand (participates in β ladder)trans-90.3115.2167.7-64.187.8000108H333H328-H333 CarbonylContact C-O 3.56Å; H328-H333 WeakPolarHBondContact CA-O 3.11Å
329R75.4Confident87.9Confident126 Ų12669.2 Ų69.248%0.47535%0.351SS..EExtended strand (participates in β ladder)trans-88.3153.8164.3-73.3-172.3163.3-160.4-14.6108.8L296 I327 G332 H333 T335L296-R329 VanDerWaalsContact CD1-CZ 3.42Å; L296-R329 VanDerWaalsContact CD2-CZ 3.43Å; L296-R329 VanDerWaalsContact CD2-NH2 3.29Å; I327-R329 HydrophobicContact CD1-CG 4.14Å; I327-R329 HydrophobicContact CG1-CG 4.45Å; R329-G332 PolarHBondContact O-N 3.44Å; R329-H333 HydrophobicContact CB-CB 4.48Å; R329-H333 PolarHBondContact N-O 3.5Å; R329-H333 PolarHBondContact O-N 2.62Å; R329-H333 VanDerWaalsContact O-N 3.08Å; R329-T335 HydrophobicContact CG-CG2 3.88Å
330G67Low88Confident65 Ų6566.2 Ų66.267%0.6733%0.333SS*.THydrogen-bonded Turntrans-44.7148.6-176.700000112.8G332G330-G332 VanDerWaalsContact C-N 3.34Å
331L66.1Low88Confident154 Ų15464.3 Ų64.381%0.80633%0.325SS*.THydrogen-bonded Turntrans71.416.8-167.9-53.9167.2000115.3H333L331-H333 PolarHBondContact O-CD2 2.85Å
332G67.1Low88Confident27 Ų2758.4 Ų58.428%0.27830%0.297SS..THydrogen-bonded Turntrans7527.6173.900000113.4Q241 R329 G330Q241-G332 PolarHBondContact NE2-O 2.7Å; Q241-G332 PolarHBondContact OE1-O 2.62Å; R329-G332 PolarHBondContact O-N 3.44Å; G330-G332 VanDerWaalsContact C-N 3.34Å
333H82.3Confident88Confident48 Ų4855.9 Ų55.922%0.22229%0.285CS..EExtended strand (participates in β ladder)trans-84.9120.3177.4-61.6177.1000109.8Y264 H328 R329 L331Y264-H333 AromaticContact CD1-CD2 3.68Å; Y264-H333 AromaticContact CE1-CD2 3.91Å; Y264-H333 AromaticContact CE1-NE2 3.85Å; Y264-H333 CarbonylContact O-C 3.48Å; Y264-H333 WeakPolarHBondContact O-CA 3.4Å; H328-H333 CarbonylContact C-O 3.56Å; H328-H333 WeakPolarHBondContact CA-O 3.11Å; R329-H333 HydrophobicContact CB-CB 4.48Å; R329-H333 PolarHBondContact N-O 3.5Å; R329-H333 PolarHBondContact O-N 2.62Å; R329-H333 VanDerWaalsContact O-N 3.08Å; L331-H333 PolarHBondContact O-CD2 2.85Å
334T86.6Confident88.1Confident0 Ų052.2 Ų52.20%026%0.262CS..EExtended strand (participates in β ladder)trans-83.4126.6170.4-53.50000109.7L263 Y264 P299 L326 I327L263-T334 HydrophobicContact CD1-CG2 4.13Å; Y264-T334 PolarHBondContact O-N 3.13Å; P299-T334 HydrophobicContact CG-CG2 4.19Å; L326-T334 HydrophobicContact CB-CG2 4.18Å; L326-T334 HydrophobicContact CD1-CG2 4.27Å; L326-T334 HydrophobicContact CD2-CG2 4.28Å; L326-T334 HydrophobicContact CG-CG2 4.47Å; I327-T334 WeakPolarHBondContact O-CA 3.33Å
335T89Confident88.1Confident4 Ų450.7 Ų50.73%0.02526%0.262CS..EExtended strand (participates in β ladder)trans-133.7151.5172.7178.80000110V267 L296 G297 I327 R329V267-T335 WeakPolarHBondContact CG2-OG1 3.38Å; L296-T335 HydrophobicContact CD2-CG2 4.35Å; G297-T335 PolarHBondContact O-OG1 2.96Å; I327-T335 HydrophobicContact CD1-CG2 3.84Å; I327-T335 HydrophobicContact CG1-CG2 3.39Å; I327-T335 PolarHBondContact N-O 2.88Å; I327-T335 PolarHBondContact O-N 2.91Å; R329-T335 HydrophobicContact CG-CG2 3.88Å
336R90.9Very high88.2Confident24 Ų2448.4 Ų48.49%0.09126%0.26CS..EExtended strand (participates in β ladder)trans-78.2125.3168-163.9178.2-180125.9-8.5109.3L296 G297 E298 P299 V301 W324 S338L296-R336 WeakPolarHBondContact CA-O 3.42Å; G297-R336 PolarHBondContact N-O 2.54Å; G297-R336 PolarHBondContact O-N 2.85Å; E298-R336 WeakPolarHBondContact O-CB 3.26Å; P299-R336 PolarHBondContact O-NH1 2.98Å; P299-R336 VanDerWaalsContact O-NH1 3.08Å; V301-R336 WeakPolarHBondContact O-CD 3.42Å; W324-R336 HydrophobicContact CE3-CG 4.28Å; W324-R336 VanDerWaalsContact CG-NH2 3.3Å; R336-S338 PolarHBondContact NE-OG 3.35Å
337L92.8Very high88.5Confident13 Ų1345.5 Ų45.57%0.06825%0.245CC..EExtended strand (participates in β ladder)trans-100.1108.3164.2-17872.6000107.6T294 V295 L296 W324 R325 I327 Q339T294-L337 HydrophobicContact CG2-CD1 3.39Å; T294-L337 HydrophobicContact CG2-CG 4.5Å; V295-L337 WeakPolarHBondContact O-CA 3.44Å; L296-L337 HydrophobicContact CD2-CD1 3.69Å; L296-L337 HydrophobicContact CG-CD1 4.42Å; W324-L337 CarbonylContact C-O 3.59Å; W324-L337 WeakPolarHBondContact CA-O 3.38Å; R325-L337 HydrophobicContact CG-CB 4.28Å; R325-L337 HydrophobicContact CG-CD2 4.37Å; R325-L337 PolarHBondContact N-O 2.9Å; R325-L337 PolarHBondContact O-N 2.78Å; I327-L337 HydrophobicContact CD1-CB 4.02Å; I327-L337 HydrophobicContact CD1-CD1 4.45Å; I327-L337 HydrophobicContact CD1-CD2 4.47Å; I327-L337 HydrophobicContact CG1-CB 4.22Å; I327-L337 HydrophobicContact CG2-CB 3.97Å; I327-L337 HydrophobicContact CG2-CD2 4.21Å; L337-Q339 HydrophobicContact CD1-CG 4.49Å; L337-Q339 HydrophobicContact CD2-CG 4.39Å; L337-Q339 HydrophobicContact CG-CG 4.07Å
338S96.2Very high88.8Confident5 Ų548.5 Ų48.54%0.03526%0.258CS..EExtended strand (participates in β ladder)trans-102.5136171.9-58.90000108.6V295 T323 R336V295-S338 PolarHBondContact N-O 3.44Å; V295-S338 PolarHBondContact O-N 2.87Å; T323-S338 CarbonylContact O-C 3.6Å; T323-S338 WeakPolarHBondContact O-CA 3.48Å; R336-S338 PolarHBondContact NE-OG 3.35Å
339Q97.4Very high89.2Confident44 Ų4447.7 Ų47.721%0.20626%0.263CS..EExtended strand (participates in β ladder)trans-134139.9-178-61.7-174.6-81.800109.7L292 C293 T294 D322 T323 L337L292-Q339 HydrophobicContact CD1-CB 3.95Å; L292-Q339 HydrophobicContact CD1-CG 4.3Å; C293-Q339 CarbonylContact O-C 3.59Å; C293-Q339 VanDerWaalsContact O-CA 3.27Å; C293-Q339 WeakPolarHBondContact O-CA 3.36Å; T294-Q339 HydrophobicContact CG2-CG 4.29Å; T294-Q339 PolarHBondContact OG1-NE2 2.91Å; D322-Q339 CarbonylContact C-O 3.6Å; D322-Q339 WeakPolarHBondContact CA-O 3.48Å; T323-Q339 PolarHBondContact N-O 2.8Å; T323-Q339 PolarHBondContact O-N 2.81Å; L337-Q339 HydrophobicContact CD1-CG 4.49Å; L337-Q339 HydrophobicContact CD2-CG 4.39Å; L337-Q339 HydrophobicContact CG-CG 4.07Å
340S98.3Very high90Very high0 Ų045.1 Ų45.10%026%0.257CS..EExtended strand (participates in β ladder)trans-126.3129.9169.7-175.20000108C293 F305 W307 Q321 D322C293-S340 PolarHBondContact N-O 3.32Å; C293-S340 PolarHBondContact O-N 3.17Å; F305-S340 VanDerWaalsContact CG-CB 3.44Å; W307-S340 PolarHBondContact NE1-OG 3.08Å; Q321-S340 WeakPolarHBondContact O-CA 3.3Å; D322-S340 WeakPolarHBondContact OD1-CB 3.42Å; D322-S340 PolarHBondContact OD1-OG 3.4Å
341V98.3Very high91.3Very high40 Ų4042 Ų4224%0.24223%0.226CC..EExtended strand (participates in β ladder)trans-118.4123.4177.4-1770000108.3V291 L292 I320 Q321V291-V341 WeakPolarHBondContact O-CA 3.43Å; L292-V341 HydrophobicContact CB-CG2 4.36Å; L292-V341 HydrophobicContact CD1-CG2 3.51Å; I320-V341 CarbonylContact C-O 3.59Å; I320-V341 VanDerWaalsContact CA-O 3.31Å; I320-V341 WeakPolarHBondContact CA-O 3.48Å; Q321-V341 PolarHBondContact N-O 3.16Å; Q321-V341 PolarHBondContact O-N 3.18Å
342I98.1Very high92.8Very high1 Ų136.3 Ų36.31%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-99.6128.8166.4-174.3171.3000108.8S290 V291 W307 F309 V318 T319 I320 Y355S290-I342 CarbonylContact C-O 3.58Å; S290-I342 VanDerWaalsContact CA-O 3.32Å; S290-I342 WeakPolarHBondContact CA-O 3.36Å; V291-I342 HydrophobicContact CB-CG2 3.72Å; V291-I342 HydrophobicContact CG2-CG2 4.42Å; V291-I342 PolarHBondContact N-O 3.49Å; V291-I342 PolarHBondContact O-N 3.05Å; W307-I342 HydrophobicContact CB-CD1 4.27Å; W307-I342 HydrophobicContact CD2-CB 4.09Å; W307-I342 HydrophobicContact CD2-CD1 4.5Å; W307-I342 HydrophobicContact CD2-CG2 3.84Å; W307-I342 HydrophobicContact CE3-CB 4.38Å; W307-I342 HydrophobicContact CE3-CG2 3.64Å; W307-I342 HydrophobicContact CG-CB 4.47Å; W307-I342 HydrophobicContact CG-CD1 4.35Å; W307-I342 HydrophobicContact CH2-CG2 3.68Å; W307-I342 HydrophobicContact CZ2-CB 4.32Å; W307-I342 HydrophobicContact CZ2-CG2 3.89Å; W307-I342 HydrophobicContact CZ3-CG2 3.56Å; F309-I342 HydrophobicContact CB-CD1 4.35Å; F309-I342 HydrophobicContact CD1-CD1 3.59Å; F309-I342 HydrophobicContact CE1-CD1 4.01Å; F309-I342 HydrophobicContact CG-CD1 3.99Å; V318-I342 HydrophobicContact CB-CD1 4.17Å; V318-I342 HydrophobicContact CB-CG1 4Å; V318-I342 HydrophobicContact CG1-CD1 4.25Å; V318-I342 HydrophobicContact CG1-CG1 4.39Å; V318-I342 HydrophobicContact CG2-CD1 4.06Å; V318-I342 HydrophobicContact CG2-CG1 4.23Å; T319-I342 CarbonylContact O-C 3.55Å; T319-I342 WeakPolarHBondContact O-CA 2.96Å; I320-I342 HydrophobicContact CD1-CD1 4.41Å; I320-I342 HydrophobicContact CG1-CB 4.21Å; I320-I342 HydrophobicContact CG1-CD1 4.34Å; I320-I342 HydrophobicContact CG1-CG1 3.98Å; I342-Y355 HydrophobicContact CG2-CD1 4.21Å
343T97.8Very high94.1Very high38 Ų3836 Ų3623%0.23320%0.197CC..EExtended strand (participates in β ladder)trans-119.3130.7178.5-55.80000109.7V289 V318 T319 E345V289-T343 WeakPolarHBondContact O-CA 3.42Å; V318-T343 WeakPolarHBondContact CA-O 3.44Å; T319-T343 PolarHBondContact N-O 3.31Å; T319-T343 PolarHBondContact O-N 3.44Å; T343-E345 HydrophobicContact CG2-CG 4.49Å
344V96.8Very high94.9Very high1 Ų141 Ų411%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-115.4115.7173.2-170.40000107.3V289 V318 D351 Y355V289-V344 HydrophobicContact CG1-CB 3.87Å; V289-V344 HydrophobicContact CG1-CG2 4.31Å; V289-V344 PolarHBondContact N-O 2.9Å; V289-V344 PolarHBondContact O-N 2.85Å; V318-V344 HydrophobicContact CG1-CG2 3.87Å; V344-D351 HydrophobicContact CG1-CB 4.31Å; V344-Y355 HydrophobicContact CG2-CE1 3.92Å
345E96.4Very high95.4Very high118 Ų11841.1 Ų41.155%0.55122%0.216SC*.SBendtrans-90.9147.1176.3-63.1179.4173.200110D288 R316 T343D288-E345 VanDerWaalsContact OD1-CA 3.22Å; D288-E345 WeakPolarHBondContact OD1-CA 3.43Å; R316-E345 PolarHBondContact NH1-O 3.32Å; R316-E345 PolarHBondContact NH2-O 2.92Å; T343-E345 HydrophobicContact CG2-CG 4.49Å
346D95.1Very high95.9Very high92 Ų9243 Ų4349%0.49223%0.225SC..SBendtrans56.667.3-179.5-168.816.8000112.2G286 D288 R316 E348G286-D346 VanDerWaalsContact CA-OD1 3.26Å; G286-D346 WeakPolarHBondContact CA-OD1 3.09Å; D288-D346 PolarHBondContact OD1-N 3.01Å; D288-D346 VanDerWaalsContact OD1-N 3.1Å; R316-D346 PolarHBondContact NH2-O 2.93Å; D346-E348 PolarHBondContact O-N 2.78Å
347F95.1Very high96.2Very high0 Ų041.8 Ų41.80%022%0.221CC..  trans-62.8127.8-172-171.6-102.2000112.9V283 S285 G286 D287 V289 D351 A352 V372 F374V283-F347 HydrophobicContact CB-CD1 3.7Å; V283-F347 HydrophobicContact CB-CE1 3.84Å; V283-F347 HydrophobicContact CB-CG 4.1Å; V283-F347 HydrophobicContact CB-CZ 4.35Å; V283-F347 HydrophobicContact CG1-CB 3.74Å; V283-F347 HydrophobicContact CG1-CD1 3.66Å; V283-F347 HydrophobicContact CG1-CD2 4.33Å; V283-F347 HydrophobicContact CG1-CE1 4.31Å; V283-F347 HydrophobicContact CG1-CG 3.67Å; S285-F347 VanDerWaalsContact CA-O 3.31Å; S285-F347 WeakPolarHBondContact CA-O 3.38Å; G286-F347 PolarHBondContact N-O 2.83Å; G286-F347 VanDerWaalsContact N-O 3.09Å; D287-F347 WeakPolarHBondContact O-CB 3.41Å; D287-F347 PolarHBondContact O-N 3.02Å; V289-F347 HydrophobicContact CB-CD2 4.43Å; V289-F347 HydrophobicContact CG1-CD2 3.55Å; V289-F347 HydrophobicContact CG1-CE2 3.88Å; F347-D351 HydrophobicContact CD2-CB 3.47Å; F347-D351 VanDerWaalsContact CD2-CB 3.47Å; F347-D351 HydrophobicContact CE2-CB 3.37Å; F347-D351 HydrophobicContact CG-CB 4.26Å; F347-D351 HydrophobicContact CZ-CB 4.09Å; F347-A352 HydrophobicContact CE1-CB 4.39Å; F347-A352 HydrophobicContact CZ-CB 4.01Å; F347-V372 HydrophobicContact CE1-CG1 4.49Å; F347-V372 HydrophobicContact CE2-CG1 3.84Å; F347-V372 HydrophobicContact CZ-CB 4.45Å; F347-V372 HydrophobicContact CZ-CG1 3.64Å; F347-F374 AromaticContact CD1-CE1 3.91Å; F347-F374 HydrophobicContact CD1-CE1 3.91Å; F347-F374 AromaticContact CD1-CE2 3.83Å; F347-F374 HydrophobicContact CD1-CE2 3.83Å; F347-F374 AromaticContact CD1-CZ 3.38Å; F347-F374 HydrophobicContact CD1-CZ 3.38Å; F347-F374 HydrophobicContact CE1-CD1 4.48Å; F347-F374 AromaticContact CE1-CD2 3.89Å; F347-F374 HydrophobicContact CE1-CD2 3.89Å; F347-F374 HydrophobicContact CE1-CE1 4.04Å; F347-F374 AromaticContact CE1-CE2 3.28Å; F347-F374 HydrophobicContact CE1-CE2 3.28Å; F347-F374 HydrophobicContact CE1-CG 4.39Å; F347-F374 AromaticContact CE1-CZ 3.37Å; F347-F374 HydrophobicContact CE1-CZ 3.37Å; F347-F374 HydrophobicContact CG-CZ 4.47Å; F347-F374 HydrophobicContact CZ-CE2 4.08Å; F347-F374 HydrophobicContact CZ-CZ 4.45Å
348E93.9Very high96.5Very high87 Ų8742.2 Ų42.241%0.40722%0.223SC..  trans-124.2167.6-178-68.5-166.8156.300113.2D346 I350 D351 F374D346-E348 PolarHBondContact O-N 2.78Å; E348-I350 HydrophobicContact CB-CG1 3.99Å; E348-I350 PolarHBondContact O-N 2.8Å; E348-D351 PolarHBondContact N-OD2 3.15Å; E348-D351 VanDerWaalsContact O-CB 3.3Å; E348-D351 WeakPolarHBondContact O-CB 3.47Å; E348-D351 PolarHBondContact O-N 3.02Å; E348-F374 VanDerWaalsContact C-CE2 3.48Å; E348-F374 WeakPolarHBondContact O-CE2 3.35Å; E348-F374 WeakPolarHBondContact O-CZ 3.35Å
349T92.3Very high96.5Very high115 Ų11542 Ų4271%0.70622%0.222SC*.G310 helixtrans-53.8-29-177.855.20000114.5D351 F374T349-D351 VanDerWaalsContact C-N 3.27Å; T349-D351 PolarHBondContact O-N 3.34Å; T349-F374 HydrophobicContact CG2-CE2 4.17Å; T349-F374 HydrophobicContact CG2-CZ 4.18Å; T349-F374 VanDerWaalsContact N-CZ 3.29Å
350I93.5Very high96.4Very high71 Ų7143.8 Ų43.836%0.36423%0.23SC..G310 helixtrans-71.4-19.1176.159168.5000113.6P310 G311 E348P310-I350 CarbonylContact C-O 3.56Å; P310-I350 WeakPolarHBondContact CB-O 3.42Å; G311-I350 PolarHBondContact N-O 2.89Å; E348-I350 HydrophobicContact CB-CG1 3.99Å; E348-I350 PolarHBondContact O-N 2.8Å
351D94.6Very high96.2Very high1 Ų144.8 Ų44.81%0.00524%0.236CC..G310 helixtrans-89.6-16.6-176.2-59.5-39.8000112.2R316 V344 F347 E348 T349 Y355R316-D351 WeakPolarHBondContact CD-OD1 3.21Å; R316-D351 VanDerWaalsContact CG-OD1 3.27Å; R316-D351 WeakPolarHBondContact CG-OD1 3.27Å; R316-D351 IonicContact CZ-OD1 3.92Å; R316-D351 IonicContact CZ-OD2 3.49Å; R316-D351 IonicContact NE-OD1 2.93Å; R316-D351 PolarHBondContact NE-OD1 2.93Å; R316-D351 IonicContact NE-OD2 3.07Å; R316-D351 PolarHBondContact NE-OD2 2.93Å; R316-D351 VanDerWaalsContact NE-OD2 3.07Å; R316-D351 IonicContact NH2-OD2 3.02Å; R316-D351 PolarHBondContact NH2-OD2 3.44Å; V344-D351 HydrophobicContact CG1-CB 4.31Å; F347-D351 HydrophobicContact CD2-CB 3.47Å; F347-D351 VanDerWaalsContact CD2-CB 3.47Å; F347-D351 HydrophobicContact CE2-CB 3.37Å; F347-D351 HydrophobicContact CG-CB 4.26Å; F347-D351 HydrophobicContact CZ-CB 4.09Å; E348-D351 PolarHBondContact N-OD2 3.15Å; E348-D351 VanDerWaalsContact O-CB 3.3Å; E348-D351 WeakPolarHBondContact O-CB 3.47Å; E348-D351 PolarHBondContact O-N 3.02Å; T349-D351 VanDerWaalsContact C-N 3.27Å; T349-D351 PolarHBondContact O-N 3.34Å; D351-Y355 WeakPolarHBondContact O-CE2 3.41Å; D351-Y355 PolarHBondContact O-OH 3.45Å
352A95.8Very high95.8Very high33 Ų3350.9 Ų50.927%0.27327%0.266SS..  trans-74.1131.3178.800000112.6F347 V372 F374F347-A352 HydrophobicContact CE1-CB 4.39Å; F347-A352 HydrophobicContact CZ-CB 4.01Å; A352-V372 CarbonylContact C-O 3.57Å; A352-V372 WeakPolarHBondContact CA-O 3.46Å; A352-F374 HydrophobicContact CB-CD2 3.52Å; A352-F374 HydrophobicContact CB-CE2 3.62Å
353G96.3Very high95.4Very high20 Ų2056.7 Ų56.721%0.20629%0.293CS..EExtended strand (participates in β ladder)trans145.7-151.1179.300000113T371 V372G353-T371 WeakPolarHBondContact O-CA 3.31Å; G353-V372 PolarHBondContact N-O 3.2Å; G353-V372 PolarHBondContact O-N 3.32Å
354Y97.5Very high95.2Very high155 Ų15556.2 Ų56.261%0.60830%0.295SS*.EExtended strand (participates in β ladder)trans-85.2126.1-175.7-67.6-74.3000112.1P310 T370 T371P310-Y354 WeakPolarHBondContact CD-O 3.27Å; Y354-T370 WeakPolarHBondContact CA-O 3.47Å; Y354-T371 WeakPolarHBondContact CD1-OG1 3.07Å; Y354-T371 HydrophobicContact CE1-CG2 4.47Å; Y354-T371 WeakPolarHBondContact CE1-OG1 3.22Å
355Y97.9Very high95.1Very high1 Ų161.6 Ų61.60%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-102.8117.5166.7-70.4-104.2000107.9I276 V291 F309 P310 I342 V344 D351 A369 T370 V372I276-Y355 WeakPolarHBondContact CD1-O 3.16Å; V291-Y355 HydrophobicContact CB-CD1 4.45Å; V291-Y355 HydrophobicContact CG2-CD1 3.82Å; V291-Y355 HydrophobicContact CG2-CD2 4.37Å; V291-Y355 HydrophobicContact CG2-CE1 4.29Å; V291-Y355 HydrophobicContact CG2-CG 3.84Å; F309-Y355 HydrophobicContact CB-CD1 3.87Å; F309-Y355 HydrophobicContact CB-CE1 3.97Å; P310-Y355 HydrophobicContact CG-CE2 4.43Å; I342-Y355 HydrophobicContact CG2-CD1 4.21Å; V344-Y355 HydrophobicContact CG2-CE1 3.92Å; D351-Y355 WeakPolarHBondContact O-CE2 3.41Å; D351-Y355 PolarHBondContact O-OH 3.45Å; Y355-A369 VanDerWaalsContact O-CA 3.3Å; Y355-A369 WeakPolarHBondContact O-CA 3.34Å; Y355-T370 PolarHBondContact N-O 3.42Å; Y355-T370 PolarHBondContact O-N 3.04Å; Y355-V372 HydrophobicContact CD2-CB 4.16Å; Y355-V372 HydrophobicContact CD2-CG2 3.76Å; Y355-V372 HydrophobicContact CE2-CB 3.78Å; Y355-V372 HydrophobicContact CE2-CG2 3.73Å
356I98.3Very high95.1Very high43 Ų4358 Ų5822%0.22131%0.306CS..EExtended strand (participates in β ladder)trans-117.8121.8-173.6-50.1176.2000108.3W307 I308 T367 V368 A369W307-I356 CarbonylContact C-O 3.53Å; W307-I356 WeakPolarHBondContact CA-O 3.41Å; I308-I356 HydrophobicContact CB-CB 4.17Å; I308-I356 PolarHBondContact N-O 3.25Å; I308-I356 PolarHBondContact O-N 3.24Å; I356-T367 HydrophobicContact CG2-CG2 3.31Å; I356-V368 CarbonylContact C-O 3.57Å; I356-V368 WeakPolarHBondContact CA-O 3.31Å; I356-A369 HydrophobicContact CG1-CB 3.99Å
357C98.3Very high95.2Very high0 Ų057.2 Ų57.20%031%0.305CS..EExtended strand (participates in β ladder)trans-104.7128.2172.1173.70000109.3I276 C293 W307 T367 V368I276-C357 HydrophobicContact CD1-CB 4.19Å; C293-C357 HydrophobicContact CB-CB 3.6Å; C293-C357 WeakPolarHBondContact CB-SG 3.32Å; C293-C357 WeakPolarHBondContact SG-CB 3.31Å; C293-C357 CovalentContact SG-SG 2.04Å; C293-C357 PolarHBondContact SG-SG 2.91Å; W307-C357 HydrophobicContact CD2-CB 4.29Å; W307-C357 HydrophobicContact CE3-CB 3.97Å; W307-C357 HydrophobicContact CH2-CB 3.78Å; W307-C357 HydrophobicContact CZ2-CB 4.07Å; W307-C357 HydrophobicContact CZ3-CB 3.72Å; C357-T367 WeakPolarHBondContact O-CA 3.4Å; C357-V368 HydrophobicContact CB-CG2 4.04Å; C357-V368 PolarHBondContact N-O 2.84Å; C357-V368 PolarHBondContact O-N 2.83Å
358T98.1Very high95.4Very high21 Ų2158.5 Ų58.513%0.12931%0.313CS..EExtended strand (participates in β ladder)trans-109.9124.4167.5-59.50000108.8F305 T306 Q365 T366 T367F305-T358 CarbonylContact C-O 3.55Å; F305-T358 WeakPolarHBondContact CA-O 3.49Å; T306-T358 PolarHBondContact N-O 3.07Å; T306-T358 PolarHBondContact O-N 3.02Å; T358-Q365 HydrophobicContact CG2-CB 4.22Å; T358-T366 WeakPolarHBondContact CA-O 3.44Å; T358-T367 PolarHBondContact OG1-OG1 2.66Å; T358-T367 VanDerWaalsContact OG1-OG1 3.08Å
359A97.3Very high95.5Very high0 Ų057.1 Ų57.10%032%0.316CS..EExtended strand (participates in β ladder)trans-110.5127.3174.700000109.4P272 T274 V295 V303 E304 F305 Q365 T366P272-A359 HydrophobicContact CB-CB 4.16Å; P272-A359 HydrophobicContact CG-CB 4.37Å; T274-A359 HydrophobicContact CG2-CB 4.09Å; T274-A359 WeakPolarHBondContact OG1-CB 3.38Å; V295-A359 HydrophobicContact CG2-CB 3.53Å; V303-A359 HydrophobicContact CG1-CB 3.83Å; E304-A359 CarbonylContact O-C 3.59Å; E304-A359 WeakPolarHBondContact O-CA 3.14Å; F305-A359 HydrophobicContact CD1-CB 4.2Å; F305-A359 HydrophobicContact CE1-CB 4.1Å; A359-Q365 CarbonylContact O-C 3.56Å; A359-Q365 VanDerWaalsContact O-CA 3.23Å; A359-Q365 WeakPolarHBondContact O-CA 3.27Å; A359-T366 PolarHBondContact N-O 2.93Å; A359-T366 PolarHBondContact O-N 3.07Å
360Q95.6Very high95.8Very high82 Ų8252.7 Ų52.738%0.38329%0.289SS..EExtended strand (participates in β ladder)trans-125.1139.7-174.6-178.1174.6-7.300111.8V303 E304 G364 Q365V303-Q360 CarbonylContact C-O 3.58Å; V303-Q360 WeakPolarHBondContact CA-O 3.21Å; E304-Q360 PolarHBondContact N-O 2.95Å; E304-Q360 PolarHBondContact O-N 3.4Å; Q360-G364 WeakPolarHBondContact CA-O 3.37Å; Q360-Q365 HydrophobicContact CB-CB 4.07Å; Q360-Q365 HydrophobicContact CG-CB 4.21Å
361N93.1Very high96Very high22 Ų2251.4 Ų51.412%0.11829%0.285CS..EExtended strand (participates in β ladder)trans-135.4-176.9167.771.611.1000110.5G270 P272 V301 Q363 G364G270-N361 PolarHBondContact O-ND2 2.98Å; P272-N361 HydrophobicContact CG-CB 3.98Å; V301-N361 HydrophobicContact CG1-CB 3.66Å; N361-Q363 PolarHBondContact O-N 2.87Å; N361-Q363 VanDerWaalsContact O-N 3.09Å; N361-Q363 WeakPolarHBondContact OD1-CA 3.18Å; N361-Q363 WeakPolarHBondContact OD1-CB 3.3Å; N361-Q363 PolarHBondContact OD1-N 2.83Å; N361-G364 PolarHBondContact N-O 2.67Å; N361-G364 PolarHBondContact O-N 2.96Å; N361-G364 VanDerWaalsContact O-O 3.08Å; N361-G364 PolarHBondContact OD1-N 2.93Å; N361-G364 PolarHBondContact OD1-O 3.18Å
362L90.7Very high96.1Very high167 Ų16751.4 Ų51.487%0.87429%0.285SS*.THydrogen-bonded Turntrans-62-16.8179.2-62.8175.9000114.5
363Q89.8Confident96.1Very high124 Ų12454.7 Ų54.758%0.57930%0.295SS*.THydrogen-bonded Turntrans-98.7-10.1-177.7-56.6-59.7-30.900112.8N361N361-Q363 PolarHBondContact O-N 2.87Å; N361-Q363 VanDerWaalsContact O-N 3.09Å; N361-Q363 WeakPolarHBondContact OD1-CA 3.18Å; N361-Q363 WeakPolarHBondContact OD1-CB 3.3Å; N361-Q363 PolarHBondContact OD1-N 2.83Å
364G92.6Very high95.8Very high27 Ų2757 Ų5728%0.27830%0.299SS..EExtended strand (participates in β ladder)trans147.8-162.117700000113.1Q360 N361Q360-G364 WeakPolarHBondContact CA-O 3.37Å; N361-G364 PolarHBondContact N-O 2.67Å; N361-G364 PolarHBondContact O-N 2.96Å; N361-G364 VanDerWaalsContact O-O 3.08Å; N361-G364 PolarHBondContact OD1-N 2.93Å; N361-G364 PolarHBondContact OD1-O 3.18Å
365Q95.4Very high95.3Very high115 Ų11554.7 Ų54.754%0.53731%0.305SS..EExtended strand (participates in β ladder)trans-136.3152.2179.869.5-174.546.800111.3T358 A359 Q360T358-Q365 HydrophobicContact CG2-CB 4.22Å; A359-Q365 CarbonylContact O-C 3.56Å; A359-Q365 VanDerWaalsContact O-CA 3.23Å; A359-Q365 WeakPolarHBondContact O-CA 3.27Å; Q360-Q365 HydrophobicContact CB-CB 4.07Å; Q360-Q365 HydrophobicContact CG-CB 4.21Å
366T96.1Very high95.2Very high41 Ų4157.4 Ų57.425%0.25232%0.321SS..EExtended strand (participates in β ladder)trans-128.7135.2172.7-57.80000108.7P272 T358 A359 V368P272-T366 WeakPolarHBondContact O-CB 3.4Å; P272-T366 PolarHBondContact O-OG1 3.39Å; T358-T366 WeakPolarHBondContact CA-O 3.44Å; A359-T366 PolarHBondContact N-O 2.93Å; A359-T366 PolarHBondContact O-N 3.07Å; T366-V368 HydrophobicContact CG2-CG1 4.49Å
367T97.6Very high95Very high76 Ų7658.1 Ų58.147%0.46633%0.326SS..EExtended strand (participates in β ladder)trans-117.8131.4179.7-57.40000109.5I356 C357 T358I356-T367 HydrophobicContact CG2-CG2 3.31Å; C357-T367 WeakPolarHBondContact O-CA 3.4Å; T358-T367 PolarHBondContact OG1-OG1 2.66Å; T358-T367 VanDerWaalsContact OG1-OG1 3.08Å
368V97.9Very high94.8Very high28 Ų2861.3 Ų61.317%0.1734%0.344CS..EExtended strand (participates in β ladder)trans-130.8149.3178.1-67.50000109.8T274 I276 I356 C357 T366T274-V368 HydrophobicContact CG2-CG1 4.2Å; T274-V368 HydrophobicContact CG2-CG2 3.57Å; T274-V368 WeakPolarHBondContact O-CG1 3.43Å; I276-V368 HydrophobicContact CB-CB 4.16Å; I276-V368 HydrophobicContact CB-CG2 3.63Å; I276-V368 HydrophobicContact CD1-CG2 4.36Å; I276-V368 HydrophobicContact CG2-CB 3.82Å; I276-V368 HydrophobicContact CG2-CG2 3.88Å; I356-V368 CarbonylContact C-O 3.57Å; I356-V368 WeakPolarHBondContact CA-O 3.31Å; C357-V368 HydrophobicContact CB-CG2 4.04Å; C357-V368 PolarHBondContact N-O 2.84Å; C357-V368 PolarHBondContact O-N 2.83Å; T366-V368 HydrophobicContact CG2-CG1 4.49Å
369A97.8Very high94.7Very high57 Ų5763.7 Ų63.747%0.47136%0.357SS..EExtended strand (participates in β ladder)trans-134145.6-178.200000111.3Y355 I356Y355-A369 VanDerWaalsContact O-CA 3.3Å; Y355-A369 WeakPolarHBondContact O-CA 3.34Å; I356-A369 HydrophobicContact CG1-CB 3.99Å
370T97.8Very high94.5Very high23 Ų2367.7 Ų67.714%0.14138%0.379CS..EExtended strand (participates in β ladder)trans-130.1160.1166-167.10000109.4I276 A278 V291 Y354 Y355I276-T370 HydrophobicContact CD1-CG2 3.86Å; I276-T370 HydrophobicContact CG1-CG2 3.9Å; A278-T370 HydrophobicContact CB-CG2 4.1Å; V291-T370 HydrophobicContact CG1-CG2 3.59Å; V291-T370 HydrophobicContact CG2-CG2 4.46Å; Y354-T370 WeakPolarHBondContact CA-O 3.47Å; Y355-T370 PolarHBondContact N-O 3.42Å; Y355-T370 PolarHBondContact O-N 3.04Å
371T97.4Very high94.4Very high44 Ų4466.7 Ų66.727%0.2738%0.379SS..EExtended strand (participates in β ladder)trans-113.8134.6178.4-46.80000109.4G353 Y354 E373G353-T371 WeakPolarHBondContact O-CA 3.31Å; Y354-T371 WeakPolarHBondContact CD1-OG1 3.07Å; Y354-T371 HydrophobicContact CE1-CG2 4.47Å; Y354-T371 WeakPolarHBondContact CE1-OG1 3.22Å; T371-E373 HydrophobicContact CG2-CG 4.06Å
372V97.1Very high94.5Very high0 Ų069.9 Ų69.90%040%0.397CS..EExtended strand (participates in β ladder)trans-117.1125.5170.9-177.10000107.6A278 V283 V289 V291 F347 A352 G353 Y355A278-V372 HydrophobicContact CB-CG2 4.01Å; V283-V372 HydrophobicContact CB-CG1 4.31Å; V283-V372 HydrophobicContact CG2-CG1 3.53Å; V289-V372 HydrophobicContact CG2-CG1 4.09Å; V289-V372 HydrophobicContact CG2-CG2 4.22Å; V291-V372 HydrophobicContact CG2-CG2 4.33Å; F347-V372 HydrophobicContact CE1-CG1 4.49Å; F347-V372 HydrophobicContact CE2-CG1 3.84Å; F347-V372 HydrophobicContact CZ-CB 4.45Å; F347-V372 HydrophobicContact CZ-CG1 3.64Å; A352-V372 CarbonylContact C-O 3.57Å; A352-V372 WeakPolarHBondContact CA-O 3.46Å; G353-V372 PolarHBondContact N-O 3.2Å; G353-V372 PolarHBondContact O-N 3.32Å; Y355-V372 HydrophobicContact CD2-CB 4.16Å; Y355-V372 HydrophobicContact CD2-CG2 3.76Å; Y355-V372 HydrophobicContact CE2-CB 3.78Å; Y355-V372 HydrophobicContact CE2-CG2 3.73Å
373E95.3Very high94.8Very high103 Ų10362.5 Ų62.548%0.48136%0.36SS..EExtended strand (participates in β ladder)trans-115.9162.2-176.7-61.8-179169.900111.2N281 K282 V283 T371N281-E373 PolarHBondContact O-N 3.09Å; K282-E373 CarbonylContact C-O 3.55Å; K282-E373 VanDerWaalsContact CA-O 3.31Å; K282-E373 WeakPolarHBondContact CA-O 3.26Å; V283-E373 PolarHBondContact N-O 2.94Å; T371-E373 HydrophobicContact CG2-CG 4.06Å
374F90.7Very high95.2Very high68 Ų6857.3 Ų57.330%0.29834%0.342SS..EExtended strand (participates in β ladder)trans-67.8137.1166.9-90.9-86.8000111.1F347 E348 T349 A352F347-F374 AromaticContact CD1-CE1 3.91Å; F347-F374 HydrophobicContact CD1-CE1 3.91Å; F347-F374 AromaticContact CD1-CE2 3.83Å; F347-F374 HydrophobicContact CD1-CE2 3.83Å; F347-F374 AromaticContact CD1-CZ 3.38Å; F347-F374 HydrophobicContact CD1-CZ 3.38Å; F347-F374 HydrophobicContact CE1-CD1 4.48Å; F347-F374 AromaticContact CE1-CD2 3.89Å; F347-F374 HydrophobicContact CE1-CD2 3.89Å; F347-F374 HydrophobicContact CE1-CE1 4.04Å; F347-F374 AromaticContact CE1-CE2 3.28Å; F347-F374 HydrophobicContact CE1-CE2 3.28Å; F347-F374 HydrophobicContact CE1-CG 4.39Å; F347-F374 AromaticContact CE1-CZ 3.37Å; F347-F374 HydrophobicContact CE1-CZ 3.37Å; F347-F374 HydrophobicContact CG-CZ 4.47Å; F347-F374 HydrophobicContact CZ-CE2 4.08Å; F347-F374 HydrophobicContact CZ-CZ 4.45Å; E348-F374 VanDerWaalsContact C-CE2 3.48Å; E348-F374 WeakPolarHBondContact O-CE2 3.35Å; E348-F374 WeakPolarHBondContact O-CZ 3.35Å; T349-F374 HydrophobicContact CG2-CE2 4.17Å; T349-F374 HydrophobicContact CG2-CZ 4.18Å; T349-F374 VanDerWaalsContact N-CZ 3.29Å; A352-F374 HydrophobicContact CB-CD2 3.52Å; A352-F374 HydrophobicContact CB-CE2 3.62Å
375S87.1Confident95.5Very high106 Ų10660.1 Ų60.174%0.74135%0.348SS*.  trans-70.90174.7-1780000113.8V283V283-S375 PolarHBondContact O-N 3.1Å

Retrieved 375 of 375 residues in 132.5 ms (Link to these results)