A0A096NYM5_PAPAN Loading...

RNA pseudouridine synthase D3

AlphaFold DB , UniProt , Accession A0A096NYM5, Species PAPAN (Papio anubis, Olive baboon), Gene RPUSD3, Length 351 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
1M32.9Very low25.9Very low246 Ų246163.5 Ų163.5100%1.21284%0.839SS**  0114.40-126.4171.4170.300107.7
2R30.2Very low25.9Very low239 Ų239169.3 Ų169.390%0.90284%0.842SS**  trans45.293.8165.2-69.2-178.8174.9169.3-1.4119.6
3T24.2Very low25.7Very low144 Ų144175.2 Ų175.288%0.88385%0.849SS**  trans-62.6128.91483.50000110.6
4V25.6Very low25.8Very low127 Ų127172.4 Ų172.477%0.7785%0.847SS**  trans-133.8113.9161.6178.40000107.2
5L24.1Very low25.8Very low160 Ų160171.9 Ų171.984%0.83885%0.849SS**  trans-146.9108.9171-129.4154.7000105.5
6T24.4Very low25.7Very low138 Ų138164.9 Ų164.985%0.84783%0.834SS**  trans-136.598.2169.935.20000109.9
7R22.8Very low25.7Very low215 Ų215162.1 Ų162.181%0.81183%0.829SS**  trans-124.3142.3145.3-123-177.3171.3173.1-2.7102.7
8E25.3Very low25.6Very low141 Ų141161.7 Ų161.766%0.65983%0.827SS**  cis-168.4168.728.2-161.9158.5-145.700108.7
9M23.6Very low25.5Very low171 Ų171166 Ų16684%0.84283%0.832SS**  trans-12.6135.9166.2-58.3164.869.300119.8
10D26.3Very low25.5Very low157 Ų157163.2 Ų163.284%0.8483%0.829SS**  -151.1134.9125.5-1586000111
11G25.4Very low25.5Very low61 Ų61158.5 Ų158.563%0.62982%0.821SS**  trans-97.5137.8-176.200000111.7
12R25.8Very low25.3Very low232 Ų232159.3 Ų159.388%0.87581%0.811SS**  trans-135.7107156.9-82.8-177.3-179.2-169.1-0110.4
13R24.1Very low25.2Very low247 Ų247159.7 Ų159.793%0.93281%0.812SS**  trans-64.2131159.9-63.7-180-157.7-160.33.3107.6
14V27.3Very low25.4Very low136 Ų136164.4 Ų164.482%0.82481%0.814SS**  trans-115.9110.3161178.60000107.2G16V14-G16 PolarHBondContact O-N 3.4Å
15L25.1Very low25.4Very low165 Ų165162.2 Ų162.286%0.86482%0.817SS**  trans-64.2117.6171.7-73149.9000109
16G24.9Very low25.6Very low59 Ų59162.8 Ų162.861%0.60882%0.82SS**  trans-94.4131.616600000109.9V14 I18V14-G16 PolarHBondContact O-N 3.4Å; G16-I18 PolarHBondContact O-N 2.83Å
17P25.3Very low25.6Very low117 Ų117161 Ų16176%0.7682%0.819SS**  trans-71.6114.3174.627.4-29.8000109.7W19P17-W19 PolarHBondContact O-N 2.85Å
18I23.6Very low25.7Very low155 Ų155157.6 Ų157.680%0.79582%0.822SS**  trans-75.5108.8164.6-64.3169.6000106.6G16 S20G16-I18 PolarHBondContact O-N 2.83Å; I18-S20 PolarHBondContact O-N 2.95Å
19W23.1Very low25.7Very low244 Ų244155.5 Ų155.592%0.92482%0.823SS**  trans-83.993.7165.8-91.533.3000108.9P17P17-W19 PolarHBondContact O-N 2.85Å
20S26Very low25.7Very low110 Ų110153.4 Ų153.477%0.76982%0.82SS**  trans-84.6122.9164.347.60000108.7I18I18-S20 PolarHBondContact O-N 2.95Å
21G25.4Very low25.7Very low64 Ų64150.3 Ų150.366%0.6682%0.816SS**  trans-167.234.5-173.700000116.3
22W28.6Very low25.7Very low264 Ų264153.5 Ų153.5100%183%0.826SS**  trans-12084.7159.4-64.597.6000107.7
23R28.1Very low25.8Very low246 Ų246150.9 Ų150.993%0.92882%0.823SS**  trans-87.6118.4170.7-80.2-96.8-141.2-115.6-1.9108.6
24R28.8Very low25.8Very low244 Ų244146.2 Ų146.292%0.92182%0.817SS**  trans-73.2124.1152.3-77.2-179.3-139.1-162.82.8107.3
25G25.9Very low25.7Very low80 Ų80144 Ų14483%0.82581%0.813SS**  trans-111.1106.8165.900000108.9
26L27.2Very low25.7Very low173 Ų173139.5 Ų139.591%0.90681%0.806SS**  trans-89120.2158.2-98.6143.6000106.4
27A24.9Very low25.7Very low101 Ų101146.8 Ų146.884%0.83582%0.821SS**  trans-153.4120.9159.200000109
28V25.7Very low25.7Very low142 Ų142145.1 Ų145.186%0.86183%0.825SS**  trans-86.1130.9168.7169.60000107.5
29S23.9Very low25.9Very low97 Ų97145.4 Ų145.468%0.67883%0.827SS**  trans-176.7123.4133.8-159.20000112.5
30T24Very low26.1Very low128 Ų128141.5 Ų141.579%0.78582%0.819SS**  trans44.6123.2142.357.70000122
31A26.2Very low26.1Very low92 Ų92139.9 Ų139.976%0.7681%0.813SS**  trans-63.1166.8169.600000114.2
32P26.6Very low26.2Very low128 Ų128146.5 Ų146.583%0.83182%0.818SS**  -132.8160.5103.534.6-22.5000114.8
33E26.4Very low26.3Very low176 Ų176142.2 Ų142.282%0.82281%0.808SS**  trans-60.9140.9175-55.9-171.8137.900111.9
34D25.2Very low26.5Very low150 Ų150139.1 Ų139.180%0.80280%0.804SS**  175.2157.589.6-126.5-25.3000114
35A25.2Very low26.4Very low90 Ų90138.7 Ų138.774%0.74480%0.802SS**  trans68.198.4154.600000122.2
36G24.3Very low26.6Very low69 Ų69143.4 Ų143.471%0.71180%0.803SS**  87.7103120.100000119.3
37F25.3Very low26.7Very low212 Ų212141 Ų14193%0.9380%0.798SS**  171.7115.5117.1-107.2-91000108.4I39F37-I39 PolarHBondContact O-N 2.88Å
38G26.1Very low26.8Very low82 Ų82148 Ų14885%0.84580%0.802SS**  trans-66.9123.8-172.100000113.2
39I28Very low27.1Very low162 Ų162144.5 Ų144.583%0.83180%0.795SS**  trans-111105.6157.1-59.4177.3000105.1F37 A41F37-I39 PolarHBondContact O-N 2.88Å; I39-A41 VanDerWaalsContact C-N 3.3Å; I39-A41 PolarHBondContact O-N 3.17Å
40E25.9Very low27.9Very low161 Ų161144.7 Ų144.775%0.75280%0.797SS**  trans-58.996.7167.7-80.1-172.6149.500108.6R42E40-R42 PolarHBondContact O-N 3.07Å
41A25.8Very low28.7Very low77 Ų77149.9 Ų149.964%0.63680%0.802SS**  trans-65.490.9162.300000107.2I39 H43I39-A41 VanDerWaalsContact C-N 3.3Å; I39-A41 PolarHBondContact O-N 3.17Å; A41-H43 VanDerWaalsContact C-N 3.28Å; A41-H43 PolarHBondContact O-N 3.1Å
42R29.2Very low29.9Very low203 Ų203148.4 Ų148.477%0.76678%0.781SS**  trans-65.195.7168.8-68.8-171.5-168.2-1643.5107.9E40 H44E40-R42 PolarHBondContact O-N 3.07Å; R42-H44 PolarHBondContact O-N 2.92Å
43H29.6Very low31.2Very low174 Ų174153 Ų15381%0.80678%0.782SS**  trans-49.4108162.5-74.6-80.5000108.2A41 R45A41-H43 VanDerWaalsContact C-N 3.28Å; A41-H43 PolarHBondContact O-N 3.1Å; H43-R45 PolarHBondContact O-N 2.82Å
44H33.2Very low32.7Very low181 Ų181147.7 Ų147.784%0.83876%0.764SS**  trans-60.2103.4167.6-97.754.9000107.4R42 Q46R42-H44 PolarHBondContact O-N 2.92Å; H44-Q46 PolarHBondContact O-N 2.87Å; H44-Q46 VanDerWaalsContact O-N 3.07Å
45R25.8Very low34.4Very low235 Ų235142 Ų14289%0.88774%0.741SS**  trans-63109.5165.7-77-175.9172.8-178.4-0.9106.7H43H43-R45 PolarHBondContact O-N 2.82Å
46Q29.4Very low36.4Very low179 Ų179143.2 Ų143.284%0.83674%0.741SS**  trans-49.5134.7161.1-79179.5-2300108.1H44 R48H44-Q46 PolarHBondContact O-N 2.87Å; H44-Q46 VanDerWaalsContact O-N 3.07Å; Q46-R48 PolarHBondContact O-N 2.71Å
47P30Very low38.4Very low122 Ų122141.1 Ų141.179%0.79271%0.713SS**  trans-55.7127.2168.5-16.929.2000107.3G49P47-G49 PolarHBondContact O-N 3.09Å
48R26.9Very low40.4Very low248 Ų248133.2 Ų133.294%0.93669%0.692SS**  trans-45.6116173.6-80179.4170.2-174.2-3.1108.1Q46 S50Q46-R48 PolarHBondContact O-N 2.71Å; R48-S50 PolarHBondContact O-N 2.71Å; R48-S50 VanDerWaalsContact O-N 3.1Å
49G32.9Very low42.6Very low69 Ų69137.5 Ų137.571%0.71170%0.695SS**  trans-52.5118.3-174.600000110.6P47 R51P47-G49 PolarHBondContact O-N 3.09Å; G49-R51 PolarHBondContact O-N 2.94Å; G49-R51 VanDerWaalsContact O-N 3.16Å
50S39.3Very low44.7Very low101 Ų101137.2 Ų137.271%0.70669%0.691SS**  trans-53.5122.5154.147.40000105.7R48 L52R48-S50 PolarHBondContact O-N 2.71Å; R48-S50 VanDerWaalsContact O-N 3.1Å; S50-L52 PolarHBondContact O-N 3.17Å
51R40.6Very low47.3Very low237 Ų237134.2 Ų134.289%0.89469%0.685SS**  trans-6192.3172.4-73.7-177-177.4-171.41106.5G49 R53G49-R51 PolarHBondContact O-N 2.94Å; G49-R51 VanDerWaalsContact O-N 3.16Å; R51-R53 PolarHBondContact O-N 3.33Å
52L51.8Low50.2Low61 Ų61131.1 Ų131.132%0.31966%0.657SS.*  trans-56.4107.7168.7-88.8150.8000105.5S50 S54 P337S50-L52 PolarHBondContact O-N 3.17Å; L52-S54 PolarHBondContact O-N 3.06Å; L52-S54 VanDerWaalsContact O-N 3.16Å; L52-P337 HydrophobicContact CD2-CB 4.32Å
53R53.7Low52.9Low225 Ų225124.4 Ų124.485%0.84964%0.64SS**  trans-66117.9179.6-67.6-172-175.8-168.62.3106.8R51 G55R51-R53 PolarHBondContact O-N 3.33Å; R53-G55 PolarHBondContact O-N 2.72Å; R53-G55 VanDerWaalsContact O-N 3.13Å
54S58Low55.4Low63 Ų63117.9 Ų117.944%0.44162%0.62SS.*  trans-70.76171.649.80000113.1L52 H299L52-S54 PolarHBondContact O-N 3.06Å; L52-S54 VanDerWaalsContact O-N 3.16Å; S54-H299 PolarHBondContact O-CD2 3.38Å
55G61Low58Low31 Ų31112.1 Ų112.132%0.3260%0.595SS.*SBendtrans-65.4176.8177.500000113.8R53 L57 R341R53-G55 PolarHBondContact O-N 2.72Å; R53-G55 VanDerWaalsContact O-N 3.13Å; G55-L57 PolarHBondContact O-N 3.16Å; G55-R341 PolarHBondContact O-NH2 3.26Å
56P66.9Low60.9Low115 Ų115102.9 Ų102.975%0.74756%0.563SS**  trans-52.9132.4179.2-23.132.5000111.2G58P56-G58 PolarHBondContact O-N 3.48Å
57L67.3Low63.6Low25 Ų2598.3 Ų98.313%0.13155%0.549CS..  trans-67.1127.3159-109.183000105.6G55 F62 L300 Q304 R341G55-L57 PolarHBondContact O-N 3.16Å; L57-F62 HydrophobicContact CD1-CE1 4.49Å; L57-F62 HydrophobicContact CD2-CD1 3.59Å; L57-F62 HydrophobicContact CD2-CD2 4.32Å; L57-F62 HydrophobicContact CD2-CE1 3.58Å; L57-F62 HydrophobicContact CD2-CE2 4.32Å; L57-F62 HydrophobicContact CD2-CG 3.97Å; L57-F62 HydrophobicContact CD2-CZ 3.96Å; L57-L300 HydrophobicContact CB-CD2 4.39Å; L57-Q304 PolarHBondContact O-NE2 2.98Å; L57-R341 VanDerWaalsContact CD1-NE 3.27Å
58G67.8Low66Low47 Ų47102.5 Ų102.549%0.48555%0.554SS.*  trans-71.8-154.4164.600000110.6P56 Q60 Q304P56-G58 PolarHBondContact O-N 3.48Å; G58-Q60 PolarHBondContact O-N 3.02Å; G58-Q304 PolarHBondContact O-NE2 3.26Å
59D70.9Confident68.7Low172 Ų17298.3 Ų98.392%0.9255%0.55SS**SBendtrans-7613.3175.7-65.5-32.1000114.1
60Q73.8Confident71.4Confident156 Ų15696.3 Ų96.373%0.72952%0.523SS*.SBendtrans-81.7148-179.2-66.9-159.6-300112.2G58G58-Q60 PolarHBondContact O-N 3.02Å
61P80.4Confident74Confident98 Ų9893.5 Ų93.564%0.63650%0.504SS*.PPolyproline II helixtrans-61.2154.2174.126.7-34.4000111.4
62F86.5Confident76.6Confident11 Ų1186 Ų865%0.04848%0.476CS..PPolyproline II helixtrans-59.4129.6178.3-75.4-89.8000111.3L57 G64 L65 L300 Q307 L308 P309L57-F62 HydrophobicContact CD1-CE1 4.49Å; L57-F62 HydrophobicContact CD2-CD1 3.59Å; L57-F62 HydrophobicContact CD2-CD2 4.32Å; L57-F62 HydrophobicContact CD2-CE1 3.58Å; L57-F62 HydrophobicContact CD2-CE2 4.32Å; L57-F62 HydrophobicContact CD2-CG 3.97Å; L57-F62 HydrophobicContact CD2-CZ 3.96Å; F62-G64 PolarHBondContact O-N 2.96Å; F62-L65 HydrophobicContact CB-CD1 4.04Å; F62-L65 HydrophobicContact CB-CG 4.3Å; F62-L65 WeakPolarHBondContact O-CG 3.23Å; F62-L65 PolarHBondContact O-N 2.95Å; F62-L300 HydrophobicContact CE1-CD1 4.48Å; F62-L300 HydrophobicContact CE1-CD2 4.06Å; F62-L300 HydrophobicContact CZ-CD1 4.24Å; F62-L300 HydrophobicContact CZ-CD2 3.92Å; F62-Q307 HydrophobicContact CE2-CB 4.39Å; F62-L308 HydrophobicContact CD1-CD1 4.27Å; F62-L308 HydrophobicContact CE1-CD1 3.47Å; F62-L308 VanDerWaalsContact CE1-CD1 3.47Å; F62-L308 HydrophobicContact CE2-CD1 4.22Å; F62-L308 HydrophobicContact CZ-CB 4.47Å; F62-L308 HydrophobicContact CZ-CD1 3.44Å; F62-L308 VanDerWaalsContact CZ-CD1 3.44Å; F62-P309 HydrophobicContact CB-CG 3.64Å; F62-P309 HydrophobicContact CD1-CG 4.48Å; F62-P309 HydrophobicContact CD2-CG 4.1Å; F62-P309 HydrophobicContact CG-CG 3.83Å
63P85.4Confident78.6Confident63 Ų6388.9 Ų88.941%0.40949%0.487SS..THydrogen-bonded Turntrans-59.6136.6180-26.535.2000112.8P337 Y338P63-P337 HydrophobicContact CB-CB 3.86Å; P63-Y338 PolarHBondContact O-N 3.22Å
64G81.8Confident80.6Confident37 Ų3783 Ų8338%0.38147%0.469SS..THydrogen-bonded Turntrans91.55.6-178.900000115.3F62F62-G64 PolarHBondContact O-N 2.96Å
65L88.1Confident82.4Confident59 Ų5980 Ų8031%0.30945%0.449SS..PPolyproline II helixtrans-88.4153.9166.8-64.4-176.7000111.6F62 Q97 P309 Y338F62-L65 HydrophobicContact CB-CD1 4.04Å; F62-L65 HydrophobicContact CB-CG 4.3Å; F62-L65 WeakPolarHBondContact O-CG 3.23Å; F62-L65 PolarHBondContact O-N 2.95Å; L65-Q97 HydrophobicContact CD2-CB 4.22Å; L65-P309 HydrophobicContact CD1-CG 3.93Å; L65-P309 HydrophobicContact CD2-CB 4.03Å; L65-P309 HydrophobicContact CD2-CG 3.88Å; L65-P309 HydrophobicContact CG-CG 4.09Å; L65-Y338 HydrophobicContact CD2-CE1 4.42Å
66L87.3Confident84.1Confident42 Ų4279 Ų7922%0.2244%0.436CS..PPolyproline II helixtrans-76.6139.5167-68.3174.6000110.6L70 L75 A78 P96 L99L66-L70 HydrophobicContact CD2-CD1 4.18Å; L66-L75 HydrophobicContact CD1-CD1 3.92Å; L66-A78 HydrophobicContact CD2-CB 3.89Å; L66-P96 HydrophobicContact CD1-CB 4.46Å; L66-P96 HydrophobicContact CD1-CG 3.59Å; L66-P96 HydrophobicContact CD2-CG 3.85Å; L66-P96 HydrophobicContact CG-CB 3.99Å; L66-P96 HydrophobicContact CG-CG 3.47Å; L66-P96 VanDerWaalsContact CG-CG 3.47Å; L66-L99 HydrophobicContact CD1-CB 3.94Å; L66-L99 HydrophobicContact CD1-CD1 4.31Å
67P85.8Confident85.5Confident83 Ų8377.6 Ų77.654%0.53942%0.423SS..PPolyproline II helixtrans-50.6148.7163.3-28.532.3000113.1L70P67-L70 HydrophobicContact CB-CD1 3.93Å; P67-L70 VanDerWaalsContact CD-CD1 3.44Å; P67-L70 HydrophobicContact CG-CD1 3.72Å
68K79.1Confident86.8Confident210 Ų21078.1 Ų78.191%0.91343%0.43SS*.THydrogen-bonded Turntrans-68.9-37.1-177.5-70-176.8179.9176.40113.6
69N83.6Confident88.2Confident159 Ų15975.9 Ų75.985%0.8541%0.407SS*.THydrogen-bonded Turntrans-113.759.2-174.8-63.7-14.6000109.6
70L89.6Confident89.4Confident27 Ų2772.8 Ų72.814%0.14138%0.383CS..  trans-86.2137.4-174.5-162.4121.1000110L66 P67 E74 L75 L108L66-L70 HydrophobicContact CD2-CD1 4.18Å; P67-L70 HydrophobicContact CB-CD1 3.93Å; P67-L70 VanDerWaalsContact CD-CD1 3.44Å; P67-L70 HydrophobicContact CG-CD1 3.72Å; L70-E74 WeakPolarHBondContact CA-OE2 3.43Å; L70-E74 HydrophobicContact CD1-CB 4.18Å; L70-E74 HydrophobicContact CD2-CB 3.87Å; L70-E74 HydrophobicContact CG-CB 3.63Å; L70-L75 HydrophobicContact CD2-CB 3.41Å; L70-L75 VanDerWaalsContact CD2-CB 3.41Å; L70-L75 HydrophobicContact CD2-CD1 4.13Å; L70-L75 HydrophobicContact CD2-CG 4.32Å; L70-L108 WeakPolarHBondContact O-CD1 3.46Å
71S94.3Very high90.5Very high43 Ų4369.6 Ų69.630%0.30138%0.383SS..  trans-72.9165174.7102.60000111.3E73 E74 L75S71-E73 VanDerWaalsContact C-N 3.31Å; S71-E73 WeakPolarHBondContact CB-OE2 3.45Å; S71-E73 PolarHBondContact O-N 3.4Å; S71-E73 PolarHBondContact OG-N 2.72Å; S71-E73 PolarHBondContact OG-OE2 3.35Å; S71-E74 PolarHBondContact N-OE2 2.93Å; S71-E74 PolarHBondContact O-N 3.36Å; S71-E74 PolarHBondContact OG-N 3.49Å; S71-E74 VanDerWaalsContact OG-N 3.13Å; S71-L75 PolarHBondContact O-N 3.28Å
72R94.9Very high91.2Very high80 Ų8065.9 Ų65.930%0.30236%0.36SS..Hα-helixtrans-61.4-42.4175.5173.9172.2-76.4-83.5-7.4111.5L75 V76 L108 S112 V113 E116R72-L75 WeakPolarHBondContact O-CB 3.4Å; R72-L75 PolarHBondContact O-N 3.35Å; R72-V76 WeakPolarHBondContact O-CG2 3.45Å; R72-V76 PolarHBondContact O-N 3.08Å; R72-V76 VanDerWaalsContact O-N 3.1Å; R72-L108 HydrophobicContact CB-CD2 4.07Å; R72-S112 PolarHBondContact NH1-O 2.87Å; R72-V113 HydrophobicContact CG-CG1 4.18Å; R72-E116 WeakPolarHBondContact CD-OE1 3.28Å; R72-E116 IonicContact CZ-OE1 3.87Å; R72-E116 IonicContact NE-OE1 3.03Å; R72-E116 IonicContact NH1-OE1 3.54Å; R72-E116 PolarHBondContact NH1-OE1 3.26Å; R72-E116 IonicContact NH1-OE2 2.72Å
73E95.6Very high91.7Very high120 Ų12067.1 Ų67.156%0.56137%0.369SS*.Hα-helixtrans-65.5-46.3179.2-58.369.7-148.300110.7S71 L75 V76 D77S71-E73 VanDerWaalsContact C-N 3.31Å; S71-E73 WeakPolarHBondContact CB-OE2 3.45Å; S71-E73 PolarHBondContact O-N 3.4Å; S71-E73 PolarHBondContact OG-N 2.72Å; S71-E73 PolarHBondContact OG-OE2 3.35Å; E73-L75 PolarHBondContact O-N 3.01Å; E73-V76 WeakPolarHBondContact O-CB 3.19Å; E73-V76 PolarHBondContact O-N 3.15Å; E73-V76 VanDerWaalsContact O-N 3.13Å; E73-D77 PolarHBondContact O-N 3.36Å
74E95.6Very high92.2Very high101 Ų10167 Ų6747%0.47237%0.367SS..Hα-helixtrans-59.3-34175.1-69.6177.9149.100111.8L70 S71 A78L70-E74 WeakPolarHBondContact CA-OE2 3.43Å; L70-E74 HydrophobicContact CD1-CB 4.18Å; L70-E74 HydrophobicContact CD2-CB 3.87Å; L70-E74 HydrophobicContact CG-CB 3.63Å; S71-E74 PolarHBondContact N-OE2 2.93Å; S71-E74 PolarHBondContact O-N 3.36Å; S71-E74 PolarHBondContact OG-N 3.49Å; S71-E74 VanDerWaalsContact OG-N 3.13Å; E74-A78 VanDerWaalsContact O-CB 3.31Å; E74-A78 WeakPolarHBondContact O-CB 3.19Å; E74-A78 PolarHBondContact O-N 2.77Å
75L95.7Very high92.8Very high2 Ų267.1 Ų67.11%0.0136%0.359CS..Hα-helixtrans-69.4-43.3177.2-17854.5000111L66 L70 S71 R72 E73 D77 A78 L79 L99 L108 V113L66-L75 HydrophobicContact CD1-CD1 3.92Å; L70-L75 HydrophobicContact CD2-CB 3.41Å; L70-L75 VanDerWaalsContact CD2-CB 3.41Å; L70-L75 HydrophobicContact CD2-CD1 4.13Å; L70-L75 HydrophobicContact CD2-CG 4.32Å; S71-L75 PolarHBondContact O-N 3.28Å; R72-L75 WeakPolarHBondContact O-CB 3.4Å; R72-L75 PolarHBondContact O-N 3.35Å; E73-L75 PolarHBondContact O-N 3.01Å; L75-D77 VanDerWaalsContact C-N 3.32Å; L75-A78 PolarHBondContact O-N 2.82Å; L75-L79 HydrophobicContact CD1-CD1 4.13Å; L75-L79 HydrophobicContact CD1-CG 4.09Å; L75-L79 HydrophobicContact CG-CD1 4.05Å; L75-L79 HydrophobicContact CG-CG 4.44Å; L75-L79 WeakPolarHBondContact O-CB 3.43Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.45Å; L75-L79 PolarHBondContact O-N 3.35Å; L75-L99 HydrophobicContact CD1-CD1 3.79Å; L75-L99 HydrophobicContact CD1-CD2 3.96Å; L75-L99 HydrophobicContact CD2-CD1 3.74Å; L75-L99 HydrophobicContact CG-CD1 4.43Å; L75-L108 HydrophobicContact CD2-CB 4.14Å; L75-V113 HydrophobicContact CD2-CG1 3.77Å; L75-V113 HydrophobicContact CD2-CG2 3.99Å; L75-V113 HydrophobicContact CG-CG1 4.34Å; L75-V113 HydrophobicContact CG-CG2 4.16Å
76V96.5Very high93.1Very high10 Ų1069.9 Ų69.96%0.06137%0.365CS..Hα-helixtrans-61.2-44.1176.9171.90000110.3R72 E73 L79 R80 V113 E116R72-V76 WeakPolarHBondContact O-CG2 3.45Å; R72-V76 PolarHBondContact O-N 3.08Å; R72-V76 VanDerWaalsContact O-N 3.1Å; E73-V76 WeakPolarHBondContact O-CB 3.19Å; E73-V76 PolarHBondContact O-N 3.15Å; E73-V76 VanDerWaalsContact O-N 3.13Å; V76-L79 PolarHBondContact O-N 2.94Å; V76-R80 WeakPolarHBondContact O-CB 3.33Å; V76-R80 PolarHBondContact O-N 3.01Å; V76-V113 HydrophobicContact CG2-CB 3.95Å; V76-V113 HydrophobicContact CG2-CG1 4.44Å; V76-E116 HydrophobicContact CG1-CB 4.47Å; V76-E116 HydrophobicContact CG2-CB 3.62Å
77D96Very high93.2Very high85 Ų8573.7 Ų73.746%0.45538%0.38SS..Hα-helixtrans-65.1-42.7177.4-74.7-22.6000111.9E73 L75 L79 R80 A81E73-D77 PolarHBondContact O-N 3.36Å; L75-D77 VanDerWaalsContact C-N 3.32Å; D77-L79 PolarHBondContact O-N 3.47Å; D77-R80 PolarHBondContact O-N 3.36Å; D77-R80 IonicContact OD1-CZ 3.61Å; D77-R80 IonicContact OD1-NH1 2.71Å; D77-R80 PolarHBondContact OD1-NH1 2.88Å; D77-R80 IonicContact OD1-NH2 3.94Å; D77-A81 WeakPolarHBondContact O-CB 3.35Å; D77-A81 PolarHBondContact O-N 3.47Å
78A95.3Very high93.4Very high36 Ų3673.6 Ų73.630%0.29839%0.394SS..Hα-helixtrans-61.6-41.8174.800000112.2L66 E74 L75 A81 A82L66-A78 HydrophobicContact CD2-CB 3.89Å; E74-A78 VanDerWaalsContact O-CB 3.31Å; E74-A78 WeakPolarHBondContact O-CB 3.19Å; E74-A78 PolarHBondContact O-N 2.77Å; L75-A78 PolarHBondContact O-N 2.82Å; A78-A81 PolarHBondContact O-N 3.48Å; A78-A82 VanDerWaalsContact O-CB 3.29Å; A78-A82 WeakPolarHBondContact O-CB 2.95Å; A78-A82 PolarHBondContact O-N 2.83Å
79L96.4Very high94Very high0 Ų065.7 Ų65.70%036%0.364CS..Hα-helixtrans-71-37.5177.2-71.8174.9000112.5L75 V76 D77 A81 A82 V83 L93 L99 L110 V113 L117L75-L79 HydrophobicContact CD1-CD1 4.13Å; L75-L79 HydrophobicContact CD1-CG 4.09Å; L75-L79 HydrophobicContact CG-CD1 4.05Å; L75-L79 HydrophobicContact CG-CG 4.44Å; L75-L79 WeakPolarHBondContact O-CB 3.43Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.45Å; L75-L79 PolarHBondContact O-N 3.35Å; V76-L79 PolarHBondContact O-N 2.94Å; D77-L79 PolarHBondContact O-N 3.47Å; L79-A81 VanDerWaalsContact C-N 3.34Å; L79-A82 PolarHBondContact O-N 3.15Å; L79-A82 VanDerWaalsContact O-N 3.15Å; L79-V83 PolarHBondContact O-N 3.48Å; L79-L93 HydrophobicContact CD2-CD1 4.39Å; L79-L99 HydrophobicContact CD1-CD2 4.24Å; L79-L99 HydrophobicContact CD2-CD2 3.8Å; L79-L99 HydrophobicContact CG-CD2 4.4Å; L79-L110 HydrophobicContact CD1-CD1 3.92Å; L79-L110 HydrophobicContact CD2-CD1 4.32Å; L79-V113 HydrophobicContact CD1-CG2 3.54Å; L79-L117 HydrophobicContact CB-CD1 3.99Å; L79-L117 HydrophobicContact CB-CD2 4.17Å; L79-L117 HydrophobicContact CD1-CD2 4.32Å
80R96.3Very high94.6Very high106 Ų10659.7 Ų59.740%0.433%0.332SS..Hα-helixtrans-59.9-46.3172.7-172.8-160.4-77.3128.25.4110.2V76 D77 A82 V83 L117 S120 L121V76-R80 WeakPolarHBondContact O-CB 3.33Å; V76-R80 PolarHBondContact O-N 3.01Å; D77-R80 PolarHBondContact O-N 3.36Å; D77-R80 IonicContact OD1-CZ 3.61Å; D77-R80 IonicContact OD1-NH1 2.71Å; D77-R80 PolarHBondContact OD1-NH1 2.88Å; D77-R80 IonicContact OD1-NH2 3.94Å; R80-A82 PolarHBondContact O-N 3.09Å; R80-V83 WeakPolarHBondContact O-CB 3.35Å; R80-V83 WeakPolarHBondContact O-CG2 3.38Å; R80-V83 PolarHBondContact O-N 2.59Å; R80-L117 HydrophobicContact CB-CD1 4.4Å; R80-S120 PolarHBondContact NE-O 3.17Å; R80-S120 VanDerWaalsContact NE-O 3.09Å; R80-S120 PolarHBondContact NE-OG 3.44Å; R80-S120 PolarHBondContact NH2-OG 3.03Å; R80-L121 HydrophobicContact CG-CD2 4.01Å
81A95.6Very high95Very high89 Ų8958.5 Ų58.574%0.73633%0.326SS*.Hα-helixtrans-66.9-24.8176.400000113.1D77 A78 L79 V83D77-A81 WeakPolarHBondContact O-CB 3.35Å; D77-A81 PolarHBondContact O-N 3.47Å; A78-A81 PolarHBondContact O-N 3.48Å; L79-A81 VanDerWaalsContact C-N 3.34Å; A81-V83 VanDerWaalsContact C-N 3.32Å
82A96.3Very high95.1Very high20 Ų2056.6 Ų56.617%0.16531%0.312CS..THydrogen-bonded Turntrans-83.80.4177.800000114.3A78 L79 R80 V84 L93 N94A78-A82 VanDerWaalsContact O-CB 3.29Å; A78-A82 WeakPolarHBondContact O-CB 2.95Å; A78-A82 PolarHBondContact O-N 2.83Å; L79-A82 PolarHBondContact O-N 3.15Å; L79-A82 VanDerWaalsContact O-N 3.15Å; R80-A82 PolarHBondContact O-N 3.09Å; A82-V84 PolarHBondContact O-N 3.3Å; A82-L93 CarbonylContact O-C 3.58Å; A82-L93 WeakPolarHBondContact O-CA 3.49Å; A82-N94 WeakPolarHBondContact CB-O 3.33Å; A82-N94 PolarHBondContact O-N 2.58Å
83V96.9Very high95.2Very high38 Ų3852.8 Ų52.823%0.2330%0.298CS..EExtended strand (participates in β ladder)trans-62.2123.2174.4176.70000109.9L79 R80 A81 R86 V91 L93 L121L79-V83 PolarHBondContact O-N 3.48Å; R80-V83 WeakPolarHBondContact O-CB 3.35Å; R80-V83 WeakPolarHBondContact O-CG2 3.38Å; R80-V83 PolarHBondContact O-N 2.59Å; A81-V83 VanDerWaalsContact C-N 3.32Å; V83-R86 HydrophobicContact CG1-CG 3.68Å; V83-V91 HydrophobicContact CG1-CG1 4.43Å; V83-V91 HydrophobicContact CG2-CG1 4.42Å; V83-L93 HydrophobicContact CB-CD2 4.06Å; V83-L93 HydrophobicContact CG2-CD2 3.34Å; V83-L121 HydrophobicContact CG2-CD1 4.49Å; V83-L121 HydrophobicContact CG2-CD2 3.77Å
84V96.3Very high95.3Very high59 Ų5948.4 Ų48.436%0.35828%0.278SS..EExtended strand (participates in β ladder)trans-96.5-39.4178.9-1750000111.7A82 T92 N94 L332A82-V84 PolarHBondContact O-N 3.3Å; V84-T92 PolarHBondContact N-O 3.21Å; V84-N94 HydrophobicContact CG2-CB 3.64Å; V84-L332 WeakPolarHBondContact CG1-O 3.3Å
85D94.7Very high95.3Very high40 Ų4043.6 Ų43.621%0.21426%0.256CS..EExtended strand (participates in β ladder)trans-152.1147.3-176.9-169.932.5000111.2K87 T92D85-K87 WeakPolarHBondContact OD1-CE 3.48Å; D85-K87 IonicContact OD1-NZ 3.48Å; D85-K87 PolarHBondContact OD1-NZ 3.25Å; D85-K87 VanDerWaalsContact OD2-CD 3.28Å; D85-K87 WeakPolarHBondContact OD2-CD 3.49Å; D85-K87 VanDerWaalsContact OD2-CE 3.23Å; D85-K87 WeakPolarHBondContact OD2-CE 3.46Å; D85-K87 IonicContact OD2-NZ 2.72Å; D85-K87 PolarHBondContact OD2-NZ 2.87Å; D85-T92 PolarHBondContact N-O 3.34Å; D85-T92 PolarHBondContact O-N 3.22Å
86R93.3Very high95.3Very high117 Ų11744.5 Ų44.544%0.44226%0.262SS..EExtended strand (participates in β ladder)trans-136.5113.1174.7-69.3-17964.9174.22.7108.9V83 L90 V91 L121V83-R86 HydrophobicContact CG1-CG 3.68Å; R86-L90 WeakPolarHBondContact CA-O 3.5Å; R86-V91 HydrophobicContact CG-CG1 4.39Å; R86-V91 HydrophobicContact CG-CG2 4.34Å; R86-L121 VanDerWaalsContact CZ-O 3.28Å; R86-L121 PolarHBondContact NH1-O 3.31Å; R86-L121 PolarHBondContact NH2-O 2.93Å
87K89.7Confident95.2Very high123 Ų12345.2 Ų45.254%0.53527%0.265SS..EExtended strand (participates in β ladder)trans-138.2113.9-178.2-73-178.4-177128.70110.9D85 L90D85-K87 WeakPolarHBondContact OD1-CE 3.48Å; D85-K87 IonicContact OD1-NZ 3.48Å; D85-K87 PolarHBondContact OD1-NZ 3.25Å; D85-K87 VanDerWaalsContact OD2-CD 3.28Å; D85-K87 WeakPolarHBondContact OD2-CD 3.49Å; D85-K87 VanDerWaalsContact OD2-CE 3.23Å; D85-K87 WeakPolarHBondContact OD2-CE 3.46Å; D85-K87 IonicContact OD2-NZ 2.72Å; D85-K87 PolarHBondContact OD2-NZ 2.87Å; K87-L90 PolarHBondContact N-O 2.93Å; K87-L90 WeakPolarHBondContact O-CB 3.42Å; K87-L90 PolarHBondContact O-N 3.13Å
88G89.6Confident95Very high80 Ų8042.9 Ų42.983%0.82526%0.261SS*.THydrogen-bonded Turntrans53.1-125.2-17500000110.5L90G88-L90 VanDerWaalsContact C-N 3.27Å; G88-L90 PolarHBondContact O-N 3.49Å
89P92.9Very high95Very high44 Ų4441.5 Ų41.529%0.28625%0.248SC..THydrogen-bonded Turntrans-78.8-5.1179.134.1-36.3000114S145 S146 C147 T150P89-S145 CarbonylContact O-C 3.55Å; P89-S145 VanDerWaalsContact O-CA 3.23Å; P89-S145 WeakPolarHBondContact O-CA 3.42Å; P89-S146 PolarHBondContact O-N 3.13Å; P89-C147 HydrophobicContact CB-CB 3.56Å; P89-C147 HydrophobicContact CG-CB 4.29Å; P89-T150 HydrophobicContact CG-CG2 4.04Å
90L95.7Very high94.9Very high33 Ų3342.6 Ų42.617%0.17326%0.255CS..EExtended strand (participates in β ladder)trans-93.1135.4-173.7-58.5-178.6000111.9R86 K87 G88 L143 L144 T150 L154 L319R86-L90 WeakPolarHBondContact CA-O 3.5Å; K87-L90 PolarHBondContact N-O 2.93Å; K87-L90 WeakPolarHBondContact O-CB 3.42Å; K87-L90 PolarHBondContact O-N 3.13Å; G88-L90 VanDerWaalsContact C-N 3.27Å; G88-L90 PolarHBondContact O-N 3.49Å; L90-L143 HydrophobicContact CB-CD1 4.38Å; L90-L143 HydrophobicContact CD2-CD1 4.33Å; L90-L144 WeakPolarHBondContact CA-O 3.44Å; L90-T150 HydrophobicContact CD2-CG2 3.73Å; L90-L154 HydrophobicContact CD1-CD1 4.4Å; L90-L154 HydrophobicContact CD2-CD1 3.68Å; L90-L319 HydrophobicContact CD1-CD1 3.95Å
91V97Very high94.8Very high3 Ų339 Ų392%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-123.3124.6170.6179.30000108.2V83 R86 L93 L121 L123 L128 L144V83-V91 HydrophobicContact CG1-CG1 4.43Å; V83-V91 HydrophobicContact CG2-CG1 4.42Å; R86-V91 HydrophobicContact CG-CG1 4.39Å; R86-V91 HydrophobicContact CG-CG2 4.34Å; V91-L93 HydrophobicContact CG1-CD2 3.76Å; V91-L93 HydrophobicContact CG1-CG 4.45Å; V91-L121 HydrophobicContact CG1-CD1 4.02Å; V91-L123 HydrophobicContact CG2-CD1 4.26Å; V91-L128 HydrophobicContact CG2-CD2 4.13Å; V91-L144 HydrophobicContact CB-CB 4.25Å; V91-L144 PolarHBondContact N-O 3.47Å; V91-L144 PolarHBondContact O-N 2.71Å
92T97.5Very high94.8Very high3 Ų339.1 Ų39.12%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-110.8126.1178.6-56.60000109.3V84 D85 L141 V142 L331V84-T92 PolarHBondContact N-O 3.21Å; D85-T92 PolarHBondContact N-O 3.34Å; D85-T92 PolarHBondContact O-N 3.22Å; T92-L141 HydrophobicContact CG2-CD2 3.31Å; T92-V142 CarbonylContact C-O 3.56Å; T92-V142 WeakPolarHBondContact CA-O 3.48Å; T92-L331 HydrophobicContact CG2-CB 4.5Å; T92-L331 HydrophobicContact CG2-CD1 4.25Å
93L97.3Very high94.5Very high0 Ų040.3 Ų40.30%025%0.251CS..EExtended strand (participates in β ladder)trans-115.2153179-45.2175.6000110.8L79 A82 V83 V91 L110 L117 L141 V142 L144L79-L93 HydrophobicContact CD2-CD1 4.39Å; A82-L93 CarbonylContact O-C 3.58Å; A82-L93 WeakPolarHBondContact O-CA 3.49Å; V83-L93 HydrophobicContact CB-CD2 4.06Å; V83-L93 HydrophobicContact CG2-CD2 3.34Å; V91-L93 HydrophobicContact CG1-CD2 3.76Å; V91-L93 HydrophobicContact CG1-CG 4.45Å; L93-L110 HydrophobicContact CD1-CD1 4.29Å; L93-L117 HydrophobicContact CD1-CD2 3.96Å; L93-L141 CarbonylContact O-C 3.46Å; L93-L141 WeakPolarHBondContact O-CA 3.49Å; L93-V142 HydrophobicContact CB-CB 4.2Å; L93-V142 HydrophobicContact CD1-CG1 4.46Å; L93-V142 PolarHBondContact N-O 3.48Å; L93-V142 PolarHBondContact O-N 3.35Å; L93-L144 HydrophobicContact CD1-CD1 3.7Å; L93-L144 HydrophobicContact CD1-CG 4.42Å; L93-L144 HydrophobicContact CG-CD1 4.25Å
94N97.6Very high94Very high27 Ų2746.2 Ų46.214%0.14427%0.273CS..EExtended strand (participates in β ladder)trans-100.886.2165.4-172.65000109.9A82 V84 G140 H313 A333 P334A82-N94 WeakPolarHBondContact CB-O 3.33Å; A82-N94 PolarHBondContact O-N 2.58Å; V84-N94 HydrophobicContact CG2-CB 3.64Å; N94-G140 VanDerWaalsContact OD1-CA 3.29Å; N94-G140 WeakPolarHBondContact OD1-CA 3.41Å; N94-H313 PolarHBondContact OD1-CE1 2.8Å; N94-A333 HydrophobicContact CB-CB 4.28Å; N94-P334 PolarHBondContact ND2-O 2.75Å
95K95.6Very high93.4Very high0 Ų049.8 Ų49.80%030%0.301CS..EExtended strand (participates in β ladder)trans-64130.1-176.2-171.7-171.567.1700110.5L99 S134 G135 S138 S139 G140 V142K95-L99 HydrophobicContact CD-CB 4.15Å; K95-L99 HydrophobicContact CD-CD2 4.17Å; K95-L99 HydrophobicContact CD-CG 4.37Å; K95-L99 HydrophobicContact CG-CB 4.11Å; K95-L99 HydrophobicContact CG-CD2 3.91Å; K95-L99 HydrophobicContact CG-CG 4.46Å; K95-L99 PolarHBondContact NZ-O 3.5Å; K95-S134 WeakPolarHBondContact CE-O 3.38Å; K95-S134 VanDerWaalsContact CE-OG 3.27Å; K95-S134 WeakPolarHBondContact CE-OG 3.25Å; K95-G135 PolarHBondContact NZ-O 3.13Å; K95-S138 PolarHBondContact NZ-O 3.44Å; K95-S139 CarbonylContact O-C 3.51Å; K95-S139 VanDerWaalsContact O-CA 3.28Å; K95-S139 WeakPolarHBondContact O-CA 3.28Å; K95-S139 WeakPolarHBondContact O-CB 3.4Å; K95-G140 WeakPolarHBondContact CB-O 3.28Å; K95-G140 PolarHBondContact N-O 2.93Å; K95-G140 PolarHBondContact O-N 3.44Å; K95-V142 HydrophobicContact CB-CG2 3.55Å; K95-V142 HydrophobicContact CD-CG2 3.96Å; K95-V142 HydrophobicContact CG-CG2 4.23Å
96P94.6Very high92.8Very high22 Ų2251.5 Ų51.514%0.14333%0.329CS..PPolyproline II helixtrans-64.8158.3171.627.5-34.1000111.3L66L66-P96 HydrophobicContact CD1-CB 4.46Å; L66-P96 HydrophobicContact CD1-CG 3.59Å; L66-P96 HydrophobicContact CD2-CG 3.85Å; L66-P96 HydrophobicContact CG-CB 3.99Å; L66-P96 HydrophobicContact CG-CG 3.47Å; L66-P96 VanDerWaalsContact CG-CG 3.47Å
97Q94.3Very high92.7Very high25 Ų2550.3 Ų50.312%0.11733%0.328CS..THydrogen-bonded Turntrans-65.5146.3171.3175.6174.91.800110.1L65 E137 L310 Y338L65-Q97 HydrophobicContact CD2-CB 4.22Å; Q97-E137 VanDerWaalsContact CD-O 3.27Å; Q97-E137 WeakPolarHBondContact CG-O 3.29Å; Q97-E137 PolarHBondContact NE2-O 2.95Å; Q97-E137 VanDerWaalsContact NE2-O 3.16Å; Q97-L310 VanDerWaalsContact NE2-N 3.11Å; Q97-L310 PolarHBondContact OE1-O 2.84Å; Q97-Y338 PolarHBondContact OE1-OH 2.89Å
98G92.2Very high92.9Very high36 Ų3647.2 Ų47.237%0.37132%0.317SS..THydrogen-bonded Turntrans96.2-20.3173.400000113.6P100 K136G98-P100 WeakPolarHBondContact O-CD 3.42Å; G98-K136 WeakPolarHBondContact CA-O 3.49Å; G98-K136 PolarHBondContact N-O 3.16Å; G98-K136 WeakPolarHBondContact O-CG 3.49Å
99L94.9Very high93.2Very high6 Ų643.8 Ų43.83%0.03128%0.28CS..  trans-75.9114.3174-175.266000110.6L66 L75 L79 K95 L110L66-L99 HydrophobicContact CD1-CB 3.94Å; L66-L99 HydrophobicContact CD1-CD1 4.31Å; L75-L99 HydrophobicContact CD1-CD1 3.79Å; L75-L99 HydrophobicContact CD1-CD2 3.96Å; L75-L99 HydrophobicContact CD2-CD1 3.74Å; L75-L99 HydrophobicContact CG-CD1 4.43Å; L79-L99 HydrophobicContact CD1-CD2 4.24Å; L79-L99 HydrophobicContact CD2-CD2 3.8Å; L79-L99 HydrophobicContact CG-CD2 4.4Å; K95-L99 HydrophobicContact CD-CB 4.15Å; K95-L99 HydrophobicContact CD-CD2 4.17Å; K95-L99 HydrophobicContact CD-CG 4.37Å; K95-L99 HydrophobicContact CG-CB 4.11Å; K95-L99 HydrophobicContact CG-CD2 3.91Å; K95-L99 HydrophobicContact CG-CG 4.46Å; K95-L99 PolarHBondContact NZ-O 3.5Å; L99-L110 HydrophobicContact CD2-CB 4.34Å
100P94.8Very high93.3Very high23 Ų2341.7 Ų41.715%0.14927%0.266CS..  trans-69.3147.4172.528.2-34.7000111.7G98 T109 L110 K136G98-P100 WeakPolarHBondContact O-CD 3.42Å; P100-T109 HydrophobicContact CB-CG2 4.28Å; P100-T109 HydrophobicContact CG-CG2 3.75Å; P100-T109 WeakPolarHBondContact O-CA 3.23Å; P100-L110 PolarHBondContact O-N 2.78Å; P100-K136 HydrophobicContact CB-CB 4.33Å; P100-K136 HydrophobicContact CB-CD 4.27Å; P100-K136 HydrophobicContact CB-CG 4.21Å
101V94.7Very high93.3Very high30 Ų3043.8 Ų43.818%0.18228%0.277CS..SBendtrans-72.3-46.7173179.50000110L110 L111 V130 A133 S134V101-L110 HydrophobicContact CG1-CD2 4.41Å; V101-L111 WeakPolarHBondContact O-CB 3.43Å; V101-L111 WeakPolarHBondContact O-CG 3.41Å; V101-L111 PolarHBondContact O-N 2.81Å; V101-L111 VanDerWaalsContact O-N 3.07Å; V101-V130 HydrophobicContact CG1-CG1 4.46Å; V101-A133 HydrophobicContact CG1-CB 4.17Å; V101-A133 HydrophobicContact CG2-CB 3.5Å; V101-S134 VanDerWaalsContact CG2-O 3.28Å; V101-S134 WeakPolarHBondContact CG2-O 3.43Å
102T94.1Very high93.2Very high93 Ų9345.2 Ų45.257%0.57129%0.288SS*.SBendtrans-129.9155-179.365.90000109.2L111T102-L111 HydrophobicContact CG2-CD1 3.46Å; T102-L111 VanDerWaalsContact CG2-CD1 3.46Å; T102-L111 HydrophobicContact CG2-CG 4.17Å
103G90.1Very high93Very high45 Ų4545.1 Ų45.146%0.46429%0.287SS..  trans-161.3-174.6-178.400000111.7E107 T109G103-E107 WeakPolarHBondContact CA-OE2 3.29Å; G103-T109 VanDerWaalsContact N-CG2 3.33Å
104K88.1Confident92.9Very high161 Ų16145.4 Ų45.470%0.729%0.288SS*.SBendtrans-71.7160.8174.7-62.6177.4-178.5176.10110.4G106 E107K104-G106 PolarHBondContact O-N 2.84Å; K104-E107 HydrophobicContact CB-CG 4.17Å; K104-E107 PolarHBondContact N-OE2 3.28Å; K104-E107 WeakPolarHBondContact O-CB 3.31Å; K104-E107 PolarHBondContact O-N 2.79Å
105S83.1Confident92.7Very high134 Ų13447.1 Ų47.194%0.93730%0.301SS*.THydrogen-bonded Turntrans-55.7132.6172.7-169.70000110.3
106G82.6Confident92.7Very high77 Ų7749.9 Ų49.979%0.79431%0.314SS*.THydrogen-bonded Turntrans87.3-12.1-17600000115.6K104K104-G106 PolarHBondContact O-N 2.84Å
107E90.5Very high92.7Very high91 Ų9148.9 Ų48.943%0.42531%0.307SS..SBendtrans-80.3137174-67.1178.3172.100111.4G103 K104 T109G103-E107 WeakPolarHBondContact CA-OE2 3.29Å; K104-E107 HydrophobicContact CB-CG 4.17Å; K104-E107 PolarHBondContact N-OE2 3.28Å; K104-E107 WeakPolarHBondContact O-CB 3.31Å; K104-E107 PolarHBondContact O-N 2.79Å; E107-T109 HydrophobicContact CB-CG2 4.31Å; E107-T109 PolarHBondContact O-N 2.81Å
108L93.1Very high92.8Very high59 Ų5947.8 Ų47.831%0.30930%0.303SS..  trans-71.9114.9171.4-68.3-179.8000110.3L70 R72 L75L70-L108 WeakPolarHBondContact O-CD1 3.46Å; R72-L108 HydrophobicContact CB-CD2 4.07Å; L75-L108 HydrophobicContact CD2-CB 4.14Å
109T95.7Very high92.8Very high7 Ų752.1 Ų52.14%0.04331%0.313CS..  trans-134.5163.1-178.264.60000109.5P100 G103 E107 L111 S112 V113P100-T109 HydrophobicContact CB-CG2 4.28Å; P100-T109 HydrophobicContact CG-CG2 3.75Å; P100-T109 WeakPolarHBondContact O-CA 3.23Å; G103-T109 VanDerWaalsContact N-CG2 3.33Å; E107-T109 HydrophobicContact CB-CG2 4.31Å; E107-T109 PolarHBondContact O-N 2.81Å; T109-L111 VanDerWaalsContact C-N 3.31Å; T109-L111 PolarHBondContact O-N 2.86Å; T109-S112 PolarHBondContact N-OG 2.99Å; T109-S112 PolarHBondContact O-N 3.33Å; T109-S112 PolarHBondContact O-OG 2.81Å; T109-S112 VanDerWaalsContact OG1-CB 3.28Å; T109-S112 WeakPolarHBondContact OG1-CB 3.3Å; T109-S112 PolarHBondContact OG1-N 3.12Å; T109-S112 PolarHBondContact OG1-OG 3.44Å; T109-V113 PolarHBondContact O-N 3.18Å
110L95.5Very high92.8Very high0 Ų053 Ų530%032%0.32CS..THydrogen-bonded Turntrans-53.4-49.7171.9177.266000111.1L79 L93 L99 P100 V101 S112 V113 L114 V130 A133 V142L79-L110 HydrophobicContact CD1-CD1 3.92Å; L79-L110 HydrophobicContact CD2-CD1 4.32Å; L93-L110 HydrophobicContact CD1-CD1 4.29Å; L99-L110 HydrophobicContact CD2-CB 4.34Å; P100-L110 PolarHBondContact O-N 2.78Å; V101-L110 HydrophobicContact CG1-CD2 4.41Å; L110-S112 VanDerWaalsContact C-N 3.31Å; L110-S112 PolarHBondContact O-N 3.49Å; L110-V113 WeakPolarHBondContact O-CG2 3.2Å; L110-V113 PolarHBondContact O-N 3.46Å; L110-L114 HydrophobicContact CD1-CD2 4.1Å; L110-L114 HydrophobicContact CG-CD2 4.25Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 2.88Å; L110-V130 HydrophobicContact CD2-CG2 4.05Å; L110-A133 HydrophobicContact CD2-CB 4.48Å; L110-V142 HydrophobicContact CD2-CB 4.47Å; L110-V142 HydrophobicContact CD2-CG1 3.56Å; L110-V142 HydrophobicContact CD2-CG2 4.11Å
111L95.4Very high92.7Very high78 Ų7852.6 Ų52.641%0.40832%0.316SS..G310 helixtrans-59.5-41.5179.6-77.5-171000112.3V101 T102 T109 V113 L114 V130V101-L111 WeakPolarHBondContact O-CB 3.43Å; V101-L111 WeakPolarHBondContact O-CG 3.41Å; V101-L111 PolarHBondContact O-N 2.81Å; V101-L111 VanDerWaalsContact O-N 3.07Å; T102-L111 HydrophobicContact CG2-CD1 3.46Å; T102-L111 VanDerWaalsContact CG2-CD1 3.46Å; T102-L111 HydrophobicContact CG2-CG 4.17Å; T109-L111 VanDerWaalsContact C-N 3.31Å; T109-L111 PolarHBondContact O-N 2.86Å; L111-V113 PolarHBondContact O-N 2.85Å; L111-V113 VanDerWaalsContact O-N 3.15Å; L111-L114 HydrophobicContact CD2-CD1 3.67Å; L111-L114 PolarHBondContact O-N 3.35Å; L111-V130 HydrophobicContact CD2-CB 4.41Å; L111-V130 HydrophobicContact CD2-CG2 3.5Å
112S94.6Very high92.5Very high33 Ų3354.4 Ų54.423%0.23134%0.341CS..G310 helixtrans-64.8-20.8-174.468.70000114R72 T109 L110R72-S112 PolarHBondContact NH1-O 2.87Å; T109-S112 PolarHBondContact N-OG 2.99Å; T109-S112 PolarHBondContact O-N 3.33Å; T109-S112 PolarHBondContact O-OG 2.81Å; T109-S112 VanDerWaalsContact OG1-CB 3.28Å; T109-S112 WeakPolarHBondContact OG1-CB 3.3Å; T109-S112 PolarHBondContact OG1-N 3.12Å; T109-S112 PolarHBondContact OG1-OG 3.44Å; L110-S112 VanDerWaalsContact C-N 3.31Å; L110-S112 PolarHBondContact O-N 3.49Å
113V95.3Very high92.2Very high0 Ų051.4 Ų51.40%032%0.321CS..G310 helixtrans-112.17.8-176.9-57.80000113.4R72 L75 V76 L79 T109 L110 L111 E116 L117R72-V113 HydrophobicContact CG-CG1 4.18Å; L75-V113 HydrophobicContact CD2-CG1 3.77Å; L75-V113 HydrophobicContact CD2-CG2 3.99Å; L75-V113 HydrophobicContact CG-CG1 4.34Å; L75-V113 HydrophobicContact CG-CG2 4.16Å; V76-V113 HydrophobicContact CG2-CB 3.95Å; V76-V113 HydrophobicContact CG2-CG1 4.44Å; L79-V113 HydrophobicContact CD1-CG2 3.54Å; T109-V113 PolarHBondContact O-N 3.18Å; L110-V113 WeakPolarHBondContact O-CG2 3.2Å; L110-V113 PolarHBondContact O-N 3.46Å; L111-V113 PolarHBondContact O-N 2.85Å; L111-V113 VanDerWaalsContact O-N 3.15Å; V113-E116 VanDerWaalsContact CA-OE2 3.3Å; V113-E116 WeakPolarHBondContact CA-OE2 3.46Å; V113-E116 PolarHBondContact O-N 3.06Å; V113-L117 WeakPolarHBondContact O-CB 3.39Å; V113-L117 PolarHBondContact O-N 3.1Å
114L94.9Very high91.6Very high7 Ų751.3 Ų51.34%0.03732%0.32CS..Hα-helixtrans-61.9-38.8180-69.3-175.8000114L110 L111 L117 S118 L128 V130 L144L110-L114 HydrophobicContact CD1-CD2 4.1Å; L110-L114 HydrophobicContact CG-CD2 4.25Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 2.88Å; L111-L114 HydrophobicContact CD2-CD1 3.67Å; L111-L114 PolarHBondContact O-N 3.35Å; L114-L117 HydrophobicContact CD2-CD2 4.25Å; L114-L117 PolarHBondContact O-N 3.43Å; L114-S118 WeakPolarHBondContact O-CB 3.3Å; L114-S118 PolarHBondContact O-N 3.31Å; L114-L128 HydrophobicContact CB-CB 4.42Å; L114-L128 VanDerWaalsContact CD1-O 3.29Å; L114-L128 WeakPolarHBondContact CD1-O 3.41Å; L114-L128 HydrophobicContact CD2-CB 4.39Å; L114-V130 HydrophobicContact CD1-CG2 3.87Å; L114-L144 HydrophobicContact CD2-CD1 3.92Å; L114-L144 HydrophobicContact CD2-CD2 4.33Å
115P93.6Very high90.8Very high63 Ų6352.5 Ų52.541%0.40933%0.328SS..Hα-helixtrans-59.5-49.7176.1-25.235.6000112.1L117 S118 Q119P115-L117 PolarHBondContact O-N 3.48Å; P115-S118 WeakPolarHBondContact O-CB 3.39Å; P115-S118 PolarHBondContact O-N 3.48Å; P115-S118 VanDerWaalsContact O-N 3.15Å; P115-Q119 WeakPolarHBondContact O-CG 3.34Å; P115-Q119 PolarHBondContact O-N 2.71Å; P115-Q119 VanDerWaalsContact O-N 3.09Å
116E94.7Very high90.6Very high58 Ų5850.9 Ų50.927%0.27131%0.306SS..Hα-helixtrans-67.1-38.5179.9-58.692.9144.100111R72 V76 V113 S118 Q119 S120R72-E116 WeakPolarHBondContact CD-OE1 3.28Å; R72-E116 IonicContact CZ-OE1 3.87Å; R72-E116 IonicContact NE-OE1 3.03Å; R72-E116 IonicContact NH1-OE1 3.54Å; R72-E116 PolarHBondContact NH1-OE1 3.26Å; R72-E116 IonicContact NH1-OE2 2.72Å; V76-E116 HydrophobicContact CG1-CB 4.47Å; V76-E116 HydrophobicContact CG2-CB 3.62Å; V113-E116 VanDerWaalsContact CA-OE2 3.3Å; V113-E116 WeakPolarHBondContact CA-OE2 3.46Å; V113-E116 PolarHBondContact O-N 3.06Å; E116-S118 VanDerWaalsContact C-N 3.31Å; E116-S118 PolarHBondContact O-N 2.8Å; E116-Q119 PolarHBondContact O-N 3.06Å; E116-S120 WeakPolarHBondContact O-CB 3.29Å; E116-S120 PolarHBondContact O-N 3.47Å
117L95.3Very high90.8Very high0 Ų053.5 Ų53.50%030%0.297CS..Hα-helixtrans-63-37.9172.8-177.361.1000111.7L79 R80 L93 V113 L114 P115 S120 L121 L128 L144L79-L117 HydrophobicContact CB-CD1 3.99Å; L79-L117 HydrophobicContact CB-CD2 4.17Å; L79-L117 HydrophobicContact CD1-CD2 4.32Å; R80-L117 HydrophobicContact CB-CD1 4.4Å; L93-L117 HydrophobicContact CD1-CD2 3.96Å; V113-L117 WeakPolarHBondContact O-CB 3.39Å; V113-L117 PolarHBondContact O-N 3.1Å; L114-L117 HydrophobicContact CD2-CD2 4.25Å; L114-L117 PolarHBondContact O-N 3.43Å; P115-L117 PolarHBondContact O-N 3.48Å; L117-S120 WeakPolarHBondContact O-CB 2.9Å; L117-S120 PolarHBondContact O-N 3.34Å; L117-L121 HydrophobicContact CD1-CD1 4.03Å; L117-L121 HydrophobicContact CD1-CG 4.15Å; L117-L121 HydrophobicContact CG-CD1 3.95Å; L117-L121 HydrophobicContact CG-CG 4.46Å; L117-L121 WeakPolarHBondContact O-CB 3.46Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 2.84Å; L117-L128 HydrophobicContact CD2-CD1 4.41Å; L117-L128 HydrophobicContact CG-CD1 4.25Å; L117-L144 HydrophobicContact CD2-CD1 4.22Å
118S94.6Very high91Very high3 Ų349.3 Ų49.32%0.02128%0.278CS..Hα-helixtrans-64.4-48178-163.90000111.6L114 P115 E116 S120 L121 G122 L123 Q126L114-S118 WeakPolarHBondContact O-CB 3.3Å; L114-S118 PolarHBondContact O-N 3.31Å; P115-S118 WeakPolarHBondContact O-CB 3.39Å; P115-S118 PolarHBondContact O-N 3.48Å; P115-S118 VanDerWaalsContact O-N 3.15Å; E116-S118 VanDerWaalsContact C-N 3.31Å; E116-S118 PolarHBondContact O-N 2.8Å; S118-S120 VanDerWaalsContact C-N 3.35Å; S118-S120 PolarHBondContact O-N 2.89Å; S118-L121 PolarHBondContact O-N 3.07Å; S118-G122 PolarHBondContact O-N 3.29Å; S118-L123 WeakPolarHBondContact O-CB 3.48Å; S118-L123 PolarHBondContact O-N 3.41Å; S118-L123 WeakPolarHBondContact OG-CB 3.32Å; S118-Q126 WeakPolarHBondContact CB-O 3.06Å; S118-Q126 PolarHBondContact OG-O 2.72Å
119Q93.7Very high91.1Very high126 Ų12649.4 Ų49.459%0.58928%0.277SS*.Hα-helixtrans-59.2-47.9174.5-67.6173.64.200111P115 E116 L121 G122P115-Q119 WeakPolarHBondContact O-CG 3.34Å; P115-Q119 PolarHBondContact O-N 2.71Å; P115-Q119 VanDerWaalsContact O-N 3.09Å; E116-Q119 PolarHBondContact O-N 3.06Å; Q119-L121 PolarHBondContact O-N 3.46Å; Q119-G122 PolarHBondContact O-N 3.08Å
120S93.6Very high91.2Very high25 Ų2550.4 Ų50.418%0.17528%0.283CS..Hα-helixtrans-55.3-28.7176156.80000114.4R80 E116 L117 S118R80-S120 PolarHBondContact NE-O 3.17Å; R80-S120 VanDerWaalsContact NE-O 3.09Å; R80-S120 PolarHBondContact NE-OG 3.44Å; R80-S120 PolarHBondContact NH2-OG 3.03Å; E116-S120 WeakPolarHBondContact O-CB 3.29Å; E116-S120 PolarHBondContact O-N 3.47Å; L117-S120 WeakPolarHBondContact O-CB 2.9Å; L117-S120 PolarHBondContact O-N 3.34Å; S118-S120 VanDerWaalsContact C-N 3.35Å; S118-S120 PolarHBondContact O-N 2.89Å
121L93.5Very high91.3Very high15 Ų1551 Ų518%0.07929%0.286CS..THydrogen-bonded Turntrans-93.80.5177.6-68.5173.4000113.5R80 V83 R86 V91 L117 S118 Q119 L123 L128R80-L121 HydrophobicContact CG-CD2 4.01Å; V83-L121 HydrophobicContact CG2-CD1 4.49Å; V83-L121 HydrophobicContact CG2-CD2 3.77Å; R86-L121 VanDerWaalsContact CZ-O 3.28Å; R86-L121 PolarHBondContact NH1-O 3.31Å; R86-L121 PolarHBondContact NH2-O 2.93Å; V91-L121 HydrophobicContact CG1-CD1 4.02Å; L117-L121 HydrophobicContact CD1-CD1 4.03Å; L117-L121 HydrophobicContact CD1-CG 4.15Å; L117-L121 HydrophobicContact CG-CD1 3.95Å; L117-L121 HydrophobicContact CG-CG 4.46Å; L117-L121 WeakPolarHBondContact O-CB 3.46Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 2.84Å; S118-L121 PolarHBondContact O-N 3.07Å; Q119-L121 PolarHBondContact O-N 3.46Å; L121-L123 HydrophobicContact CB-CD1 4.17Å; L121-L123 HydrophobicContact CB-CG 4.13Å; L121-L123 HydrophobicContact CD1-CD1 4.46Å; L121-L128 HydrophobicContact CD1-CD1 4.18Å
122G91.1Very high91.3Very high67 Ų6751.1 Ų51.169%0.69128%0.281SS*.THydrogen-bonded Turntrans71.829-177.900000113.5S118 Q119S118-G122 PolarHBondContact O-N 3.29Å; Q119-G122 PolarHBondContact O-N 3.08Å
123L86.6Confident91.4Very high30 Ų3050.4 Ų50.416%0.15728%0.277CS..  trans-90-0.8177.7-62.4173000113V91 S118 L121 Q126 L128V91-L123 HydrophobicContact CG2-CD1 4.26Å; S118-L123 WeakPolarHBondContact O-CB 3.48Å; S118-L123 PolarHBondContact O-N 3.41Å; S118-L123 WeakPolarHBondContact OG-CB 3.32Å; L121-L123 HydrophobicContact CB-CD1 4.17Å; L121-L123 HydrophobicContact CB-CG 4.13Å; L121-L123 HydrophobicContact CD1-CD1 4.46Å; L123-Q126 HydrophobicContact CB-CB 4.5Å; L123-Q126 WeakPolarHBondContact O-CB 3.34Å; L123-Q126 WeakPolarHBondContact O-CG 3.24Å; L123-Q126 PolarHBondContact O-N 3.33Å; L123-L128 HydrophobicContact CD1-CD1 4.05Å; L123-L128 HydrophobicContact CD1-CD2 3.61Å; L123-L128 HydrophobicContact CD1-CG 3.91Å
124G77.5Confident91.2Very high43 Ų4350.4 Ų50.444%0.44328%0.277SS..THydrogen-bonded Turntrans63.2-135.9179.600000112.3Q126G124-Q126 PolarHBondContact O-N 3.34Å
125E72.6Confident91Very high186 Ų18652 Ų5287%0.86930%0.296SS*.THydrogen-bonded Turntrans-76.21.4179.2-62.2-60.8146.800113.8E127E125-E127 PolarHBondContact O-N 3.21Å
126Q79Confident90.9Very high100 Ų10054.2 Ų54.247%0.46730%0.299SS..PPolyproline II helixtrans-70.6118.1179.4-65-174-19.600110.3S118 L123 G124 L128 S146S118-Q126 WeakPolarHBondContact CB-O 3.06Å; S118-Q126 PolarHBondContact OG-O 2.72Å; L123-Q126 HydrophobicContact CB-CB 4.5Å; L123-Q126 WeakPolarHBondContact O-CB 3.34Å; L123-Q126 WeakPolarHBondContact O-CG 3.24Å; L123-Q126 PolarHBondContact O-N 3.33Å; G124-Q126 PolarHBondContact O-N 3.34Å; Q126-L128 PolarHBondContact O-N 3.35Å; Q126-S146 PolarHBondContact OE1-OG 3.33Å; Q126-S146 VanDerWaalsContact OE1-OG 3.08Å
127E85.6Confident90.7Very high133 Ų13355.1 Ų55.162%0.62130%0.303SS*.PPolyproline II helixtrans-74.6120.7177.1-165.5177.5-163.200110.8E125E125-E127 PolarHBondContact O-N 3.21Å
128L94.6Very high90.7Very high3 Ų355.7 Ų55.72%0.01631%0.307CS..PPolyproline II helixtrans-69.8130.5172-76.9171.6000109.9V91 L114 L117 L121 L123 Q126 L144V91-L128 HydrophobicContact CG2-CD2 4.13Å; L114-L128 HydrophobicContact CB-CB 4.42Å; L114-L128 VanDerWaalsContact CD1-O 3.29Å; L114-L128 WeakPolarHBondContact CD1-O 3.41Å; L114-L128 HydrophobicContact CD2-CB 4.39Å; L117-L128 HydrophobicContact CD2-CD1 4.41Å; L117-L128 HydrophobicContact CG-CD1 4.25Å; L121-L128 HydrophobicContact CD1-CD1 4.18Å; L123-L128 HydrophobicContact CD1-CD1 4.05Å; L123-L128 HydrophobicContact CD1-CD2 3.61Å; L123-L128 HydrophobicContact CD1-CG 3.91Å; Q126-L128 PolarHBondContact O-N 3.35Å; L128-L144 HydrophobicContact CD1-CD1 4.12Å; L128-L144 HydrophobicContact CD2-CB 4.14Å
129Q96Very high90.8Very high61 Ų6155.5 Ų55.529%0.28531%0.306SS..EExtended strand (participates in β ladder)trans-113.5136.3176.5-62.9-173.9-4.400111.3V131 L144 S145 A151Q129-V131 PolarHBondContact O-N 2.84Å; Q129-L144 CarbonylContact O-C 3.39Å; Q129-L144 VanDerWaalsContact O-CA 3.24Å; Q129-L144 WeakPolarHBondContact O-CA 3.24Å; Q129-S145 PolarHBondContact N-O 3.36Å; Q129-S145 PolarHBondContact O-N 3.36Å; Q129-A151 HydrophobicContact CB-CB 4.04Å
130V97.3Very high91Very high28 Ų2849.5 Ų49.517%0.1728%0.278CS..EExtended strand (participates in β ladder)trans-74117.4174.9-175.50000110.1V101 L110 L111 L114 A133 L144 Q155V101-V130 HydrophobicContact CG1-CG1 4.46Å; L110-V130 HydrophobicContact CD2-CG2 4.05Å; L111-V130 HydrophobicContact CD2-CB 4.41Å; L111-V130 HydrophobicContact CD2-CG2 3.5Å; L114-V130 HydrophobicContact CD1-CG2 3.87Å; V130-A133 HydrophobicContact CG1-CB 3.92Å; V130-L144 HydrophobicContact CB-CD2 4.16Å; V130-L144 HydrophobicContact CG1-CD2 4.45Å; V130-L144 HydrophobicContact CG2-CD2 3.68Å; V130-Q155 PolarHBondContact O-NE2 3.49Å; V130-Q155 VanDerWaalsContact O-NE2 3.11Å
131V97.4Very high91.2Very high12 Ų1248.3 Ų48.37%0.07327%0.27CS..EExtended strand (participates in β ladder)trans-89.1-47.4173.5-1750000110.2Q129 L143 A151 L154 Q155 F158Q129-V131 PolarHBondContact O-N 2.84Å; V131-L143 WeakPolarHBondContact CA-O 3.5Å; V131-L143 HydrophobicContact CB-CB 4.31Å; V131-L143 HydrophobicContact CB-CD2 4.12Å; V131-L143 HydrophobicContact CB-CG 3.97Å; V131-L143 WeakPolarHBondContact CB-O 3.45Å; V131-L143 HydrophobicContact CG1-CD2 4.01Å; V131-L143 HydrophobicContact CG1-CG 4.41Å; V131-L143 HydrophobicContact CG2-CG 4.33Å; V131-L143 PolarHBondContact N-O 3.29Å; V131-A151 HydrophobicContact CG2-CB 4.04Å; V131-L154 HydrophobicContact CG1-CB 3.4Å; V131-L154 HydrophobicContact CG1-CD1 4.18Å; V131-L154 HydrophobicContact CG1-CG 4.45Å; V131-Q155 HydrophobicContact CG1-CG 4.19Å; V131-F158 HydrophobicContact CG1-CD2 4.14Å; V131-F158 HydrophobicContact CG1-CE2 3.75Å
132R96.4Very high91.4Very high80 Ų8047.6 Ų47.630%0.30227%0.266SS..EExtended strand (participates in β ladder)trans-151.2139.2179-163.475.7-136.3-171.65.2109.2V142 L143 F158 L317R132-V142 CarbonylContact O-C 3.45Å; R132-V142 WeakPolarHBondContact O-CA 3.41Å; R132-L143 HydrophobicContact CB-CB 4.32Å; R132-L143 PolarHBondContact N-O 3.44Å; R132-L143 PolarHBondContact O-N 3.03Å; R132-F158 HydrophobicContact CB-CE2 4.1Å; R132-F158 HydrophobicContact CB-CZ 4.43Å; R132-L317 HydrophobicContact CB-CD1 4.31Å; R132-L317 HydrophobicContact CG-CD1 4.32Å; R132-L317 HydrophobicContact CG-CD2 4.21Å
133A95.8Very high91.8Very high18 Ų1844.4 Ų44.415%0.14923%0.233CC..EExtended strand (participates in β ladder)trans-143.1151.2173.700000110.3V101 L110 V130 V142V101-A133 HydrophobicContact CG1-CB 4.17Å; V101-A133 HydrophobicContact CG2-CB 3.5Å; L110-A133 HydrophobicContact CD2-CB 4.48Å; V130-A133 HydrophobicContact CG1-CB 3.92Å; A133-V142 HydrophobicContact CB-CG1 4.27Å; A133-V142 HydrophobicContact CB-CG2 3.84Å
134S91.6Very high92.3Very high0 Ų043 Ų430%023%0.226CC..  trans-71.1153.4164.861.20000110.7K95 V101 S138 L141K95-S134 WeakPolarHBondContact CE-O 3.38Å; K95-S134 VanDerWaalsContact CE-OG 3.27Å; K95-S134 WeakPolarHBondContact CE-OG 3.25Å; V101-S134 VanDerWaalsContact CG2-O 3.28Å; V101-S134 WeakPolarHBondContact CG2-O 3.43Å; S134-S138 PolarHBondContact OG-O 3.11Å; S134-L141 PolarHBondContact N-O 3Å
135G90.5Very high93.2Very high42 Ų4241 Ų4143%0.43321%0.205SC..  trans-65.1169.8177.600000112.7K95 E137 S138K95-G135 PolarHBondContact NZ-O 3.13Å; G135-E137 VanDerWaalsContact C-N 3.29Å; G135-E137 PolarHBondContact O-N 2.84Å; G135-S138 PolarHBondContact O-N 3.32Å; G135-S138 VanDerWaalsContact O-N 3.12Å
136K92.1Very high94.3Very high108 Ų10832.7 Ų32.747%0.4717%0.167SC..THydrogen-bonded Turntrans-50.4-49.3178.9-179.9-175.8169.7-175.10112.3G98 P100 S138G98-K136 WeakPolarHBondContact CA-O 3.49Å; G98-K136 PolarHBondContact N-O 3.16Å; G98-K136 WeakPolarHBondContact O-CG 3.49Å; P100-K136 HydrophobicContact CB-CB 4.33Å; P100-K136 HydrophobicContact CB-CD 4.27Å; P100-K136 HydrophobicContact CB-CG 4.21Å; K136-S138 PolarHBondContact O-N 3.05Å
137E89.8Confident95.1Very high78 Ų7829.4 Ų29.436%0.36416%0.155SC..THydrogen-bonded Turntrans-73.7-13.5-174.2-53.5-48.9135.100113.6Q97 G135 L310Q97-E137 VanDerWaalsContact CD-O 3.27Å; Q97-E137 WeakPolarHBondContact CG-O 3.29Å; Q97-E137 PolarHBondContact NE2-O 2.95Å; Q97-E137 VanDerWaalsContact NE2-O 3.16Å; G135-E137 VanDerWaalsContact C-N 3.29Å; G135-E137 PolarHBondContact O-N 2.84Å; E137-L310 HydrophobicContact CB-CD2 4.08Å; E137-L310 WeakPolarHBondContact O-CD2 3.43Å
138S94.8Very high95.5Very high11 Ų1126.1 Ų26.18%0.07715%0.145CC..  trans-105.9147.1-180-53.70000111.3K95 S134 G135 K136 L312K95-S138 PolarHBondContact NZ-O 3.44Å; S134-S138 PolarHBondContact OG-O 3.11Å; G135-S138 PolarHBondContact O-N 3.32Å; G135-S138 VanDerWaalsContact O-N 3.12Å; K136-S138 PolarHBondContact O-N 3.05Å; S138-L312 WeakPolarHBondContact CA-O 3.34Å; S138-L312 WeakPolarHBondContact OG-CD2 3.49Å
139S97.6Very high95.5Very high0 Ų032.6 Ų32.60%018%0.176CC..EExtended strand (participates in β ladder)trans-90.4173.4166.659.20000110.8K95 L312 H313 L314 Y338K95-S139 CarbonylContact O-C 3.51Å; K95-S139 VanDerWaalsContact O-CA 3.28Å; K95-S139 WeakPolarHBondContact O-CA 3.28Å; K95-S139 WeakPolarHBondContact O-CB 3.4Å; S139-L312 PolarHBondContact N-O 3.35Å; S139-H313 WeakPolarHBondContact O-CA 3.46Å; S139-H313 PolarHBondContact OG-ND1 3.1Å; S139-L314 PolarHBondContact O-N 2.85Å; S139-Y338 PolarHBondContact OG-OH 3.2Å
140G97.6Very high95.4Very high0 Ų031.6 Ų31.60%017%0.174CC..EExtended strand (participates in β ladder)trans112.8-157.9169.900000114.6N94 K95 V142 H313 L314N94-G140 VanDerWaalsContact OD1-CA 3.29Å; N94-G140 WeakPolarHBondContact OD1-CA 3.41Å; K95-G140 WeakPolarHBondContact CB-O 3.28Å; K95-G140 PolarHBondContact N-O 2.93Å; K95-G140 PolarHBondContact O-N 3.44Å; G140-V142 PolarHBondContact O-N 3.16Å; G140-H313 WeakPolarHBondContact CA-CE1 3.36Å; G140-H313 WeakPolarHBondContact CA-ND1 3.47Å; G140-H313 PolarHBondContact N-ND1 3.4Å; G140-L314 WeakPolarHBondContact CA-O 3.33Å
141L98Very high95.4Very high0 Ų030.3 Ų30.30%017%0.166CC..EExtended strand (participates in β ladder)trans-58.3134.3-164.3-67.4163.5000113.8T92 L93 S134 L314 R316 L317 L331 A333T92-L141 HydrophobicContact CG2-CD2 3.31Å; L93-L141 CarbonylContact O-C 3.46Å; L93-L141 WeakPolarHBondContact O-CA 3.49Å; S134-L141 PolarHBondContact N-O 3Å; L141-L314 HydrophobicContact CB-CD2 4.11Å; L141-L314 HydrophobicContact CB-CG 4Å; L141-L314 PolarHBondContact N-O 3.32Å; L141-L314 WeakPolarHBondContact O-CD2 3.45Å; L141-R316 VanDerWaalsContact CD1-CA 3.49Å; L141-L317 HydrophobicContact CB-CD1 3.78Å; L141-L317 HydrophobicContact CB-CG 4.17Å; L141-L317 HydrophobicContact CD1-CB 4Å; L141-L317 HydrophobicContact CD1-CD1 4.15Å; L141-L317 HydrophobicContact CD1-CG 3.76Å; L141-L331 HydrophobicContact CD1-CB 4.3Å; L141-L331 WeakPolarHBondContact CD1-O 3.45Å; L141-L331 HydrophobicContact CD2-CB 4.47Å; L141-A333 HydrophobicContact CD2-CB 3.64Å; L141-A333 HydrophobicContact CG-CB 3.6Å
142V98.1Very high95.4Very high0 Ų031.9 Ų31.90%018%0.177CC..EExtended strand (participates in β ladder)trans-121.8126.8159.3171.90000107T92 L93 K95 L110 R132 A133 G140 L144T92-V142 CarbonylContact C-O 3.56Å; T92-V142 WeakPolarHBondContact CA-O 3.48Å; L93-V142 HydrophobicContact CB-CB 4.2Å; L93-V142 HydrophobicContact CD1-CG1 4.46Å; L93-V142 PolarHBondContact N-O 3.48Å; L93-V142 PolarHBondContact O-N 3.35Å; K95-V142 HydrophobicContact CB-CG2 3.55Å; K95-V142 HydrophobicContact CD-CG2 3.96Å; K95-V142 HydrophobicContact CG-CG2 4.23Å; L110-V142 HydrophobicContact CD2-CB 4.47Å; L110-V142 HydrophobicContact CD2-CG1 3.56Å; L110-V142 HydrophobicContact CD2-CG2 4.11Å; R132-V142 CarbonylContact O-C 3.45Å; R132-V142 WeakPolarHBondContact O-CA 3.41Å; A133-V142 HydrophobicContact CB-CG1 4.27Å; A133-V142 HydrophobicContact CB-CG2 3.84Å; G140-V142 PolarHBondContact O-N 3.16Å; V142-L144 HydrophobicContact CG1-CD2 3.55Å; V142-L144 HydrophobicContact CG1-CG 3.92Å
143L98.3Very high95.3Very high0 Ų035.6 Ų35.60%019%0.191CC..EExtended strand (participates in β ladder)trans-103.9118.3173.7-179.660.6000109.1L90 V131 R132 L154 F158 L317 L319 L331L90-L143 HydrophobicContact CB-CD1 4.38Å; L90-L143 HydrophobicContact CD2-CD1 4.33Å; V131-L143 WeakPolarHBondContact CA-O 3.5Å; V131-L143 HydrophobicContact CB-CB 4.31Å; V131-L143 HydrophobicContact CB-CD2 4.12Å; V131-L143 HydrophobicContact CB-CG 3.97Å; V131-L143 WeakPolarHBondContact CB-O 3.45Å; V131-L143 HydrophobicContact CG1-CD2 4.01Å; V131-L143 HydrophobicContact CG1-CG 4.41Å; V131-L143 HydrophobicContact CG2-CG 4.33Å; V131-L143 PolarHBondContact N-O 3.29Å; R132-L143 HydrophobicContact CB-CB 4.32Å; R132-L143 PolarHBondContact N-O 3.44Å; R132-L143 PolarHBondContact O-N 3.03Å; L143-L154 HydrophobicContact CD2-CD1 4.16Å; L143-F158 HydrophobicContact CD2-CE2 4.2Å; L143-F158 HydrophobicContact CD2-CZ 4.27Å; L143-L317 HydrophobicContact CB-CD1 4.3Å; L143-L319 HydrophobicContact CD2-CD1 4.23Å; L143-L319 HydrophobicContact CD2-CD2 3.53Å; L143-L331 HydrophobicContact CD1-CD1 3.79Å; L143-L331 HydrophobicContact CD2-CD1 4.36Å
144L97.8Very high95.4Very high0 Ų035.3 Ų35.30%019%0.187CC..EExtended strand (participates in β ladder)trans-112.1158.2174.8-51.6180000110.3L90 V91 L93 L114 L117 L128 Q129 V130 V142L90-L144 WeakPolarHBondContact CA-O 3.44Å; V91-L144 HydrophobicContact CB-CB 4.25Å; V91-L144 PolarHBondContact N-O 3.47Å; V91-L144 PolarHBondContact O-N 2.71Å; L93-L144 HydrophobicContact CD1-CD1 3.7Å; L93-L144 HydrophobicContact CD1-CG 4.42Å; L93-L144 HydrophobicContact CG-CD1 4.25Å; L114-L144 HydrophobicContact CD2-CD1 3.92Å; L114-L144 HydrophobicContact CD2-CD2 4.33Å; L117-L144 HydrophobicContact CD2-CD1 4.22Å; L128-L144 HydrophobicContact CD1-CD1 4.12Å; L128-L144 HydrophobicContact CD2-CB 4.14Å; Q129-L144 CarbonylContact O-C 3.39Å; Q129-L144 VanDerWaalsContact O-CA 3.24Å; Q129-L144 WeakPolarHBondContact O-CA 3.24Å; V130-L144 HydrophobicContact CB-CD2 4.16Å; V130-L144 HydrophobicContact CG1-CD2 4.45Å; V130-L144 HydrophobicContact CG2-CD2 3.68Å; V142-L144 HydrophobicContact CG1-CD2 3.55Å; V142-L144 HydrophobicContact CG1-CG 3.92Å
145S96.9Very high95.7Very high0 Ų039.2 Ų39.20%021%0.205CC..EExtended strand (participates in β ladder)trans-138.1132.3172.3175.90000110.5P89 Q129 C147P89-S145 CarbonylContact O-C 3.55Å; P89-S145 VanDerWaalsContact O-CA 3.23Å; P89-S145 WeakPolarHBondContact O-CA 3.42Å; Q129-S145 PolarHBondContact N-O 3.36Å; Q129-S145 PolarHBondContact O-N 3.36Å; S145-C147 PolarHBondContact OG-N 2.95Å; S145-C147 PolarHBondContact OG-O 3.43Å
146S95.6Very high96Very high12 Ų1243.9 Ų43.98%0.08421%0.214CC..SBendtrans-81.4-4.917170.70000113.1P89 Q126P89-S146 PolarHBondContact O-N 3.13Å; Q126-S146 PolarHBondContact OE1-OG 3.33Å; Q126-S146 VanDerWaalsContact OE1-OG 3.08Å
147C94.9Very high96.1Very high32 Ų3241.2 Ų41.222%0.21620%0.202CC..  trans-111.5116177171.60000110.4P89 S145 Q149 T150 A151P89-C147 HydrophobicContact CB-CB 3.56Å; P89-C147 HydrophobicContact CG-CB 4.29Å; S145-C147 PolarHBondContact OG-N 2.95Å; S145-C147 PolarHBondContact OG-O 3.43Å; C147-Q149 VanDerWaalsContact C-N 3.32Å; C147-Q149 PolarHBondContact O-N 2.83Å; C147-Q149 PolarHBondContact SG-OE1 3.43Å; C147-T150 PolarHBondContact O-N 2.94Å; C147-T150 PolarHBondContact SG-N 2.95Å; C147-T150 PolarHBondContact SG-OG1 3.36Å; C147-T150 VanDerWaalsContact SG-OG1 3.33Å; C147-A151 PolarHBondContact O-N 3.33Å
148P94.2Very high96.5Very high63 Ų6337.9 Ų37.941%0.40919%0.186SC..Hα-helixtrans-59.8-37.3-179.9-26.735000114A151 S152P148-A151 PolarHBondContact O-N 3.48Å; P148-S152 WeakPolarHBondContact O-CB 3.32Å; P148-S152 PolarHBondContact O-N 3.19Å
149Q94.8Very high96.5Very high140 Ų14040.3 Ų40.365%0.65420%0.201SC*.Hα-helixtrans-65-41.8178.1-59.982.9-3.500111.1C147 R153C147-Q149 VanDerWaalsContact C-N 3.32Å; C147-Q149 PolarHBondContact O-N 2.83Å; C147-Q149 PolarHBondContact SG-OE1 3.43Å; Q149-R153 WeakPolarHBondContact O-CB 3.37Å; Q149-R153 PolarHBondContact O-N 2.86Å
150T94.8Very high96.4Very high40 Ų4045.9 Ų45.925%0.24523%0.227CC..Hα-helixtrans-65.3-44.4175.6-62.20000111P89 L90 C147 S152 R153 L154P89-T150 HydrophobicContact CG-CG2 4.04Å; L90-T150 HydrophobicContact CD2-CG2 3.73Å; C147-T150 PolarHBondContact O-N 2.94Å; C147-T150 PolarHBondContact SG-N 2.95Å; C147-T150 PolarHBondContact SG-OG1 3.36Å; C147-T150 VanDerWaalsContact SG-OG1 3.33Å; T150-S152 PolarHBondContact O-N 2.78Å; T150-R153 PolarHBondContact O-N 2.97Å; T150-L154 HydrophobicContact CG2-CD1 4.03Å; T150-L154 HydrophobicContact CG2-CG 4.47Å; T150-L154 WeakPolarHBondContact O-CG 3.4Å; T150-L154 PolarHBondContact O-N 3.22Å
151A96.4Very high96.3Very high0 Ų046.1 Ų46.10%023%0.228CC..Hα-helixtrans-57.5-51.1176.900000111.3Q129 V131 C147 P148 R153 L154 Q155Q129-A151 HydrophobicContact CB-CB 4.04Å; V131-A151 HydrophobicContact CG2-CB 4.04Å; C147-A151 PolarHBondContact O-N 3.33Å; P148-A151 PolarHBondContact O-N 3.48Å; A151-R153 PolarHBondContact O-N 3Å; A151-L154 PolarHBondContact O-N 2.83Å; A151-Q155 WeakPolarHBondContact O-CB 3.27Å; A151-Q155 VanDerWaalsContact O-CG 3.3Å; A151-Q155 WeakPolarHBondContact O-CG 3.27Å; A151-Q155 PolarHBondContact O-N 3.05Å
152S96.6Very high96.1Very high45 Ų4549.6 Ų49.632%0.31525%0.245SC..Hα-helixtrans-59.6-44.3178.3-174.10000112.3P148 T150 L154 Q155 K156P148-S152 WeakPolarHBondContact O-CB 3.32Å; P148-S152 PolarHBondContact O-N 3.19Å; T150-S152 PolarHBondContact O-N 2.78Å; S152-L154 PolarHBondContact O-N 2.94Å; S152-Q155 PolarHBondContact O-N 3.4Å; S152-K156 VanDerWaalsContact O-CG 3.31Å; S152-K156 WeakPolarHBondContact O-CG 3.29Å; S152-K156 PolarHBondContact O-N 3.35Å
153R96.1Very high96Very high159 Ų15959.1 Ų59.160%0.628%0.281SS*.Hα-helixtrans-60.2-45.2177.3179.6178.7171.3-179.4-4111.7Q149 T150 A151 K156 F157Q149-R153 WeakPolarHBondContact O-CB 3.37Å; Q149-R153 PolarHBondContact O-N 2.86Å; T150-R153 PolarHBondContact O-N 2.97Å; A151-R153 PolarHBondContact O-N 3Å; R153-K156 PolarHBondContact O-N 2.86Å; R153-F157 PolarHBondContact O-N 3.36Å
154L96.8Very high95.8Very high12 Ų1261.2 Ų61.26%0.06330%0.298CS..Hα-helixtrans-70.4-39.1-179.8-69.9175.4000112.4L90 V131 L143 T150 A151 S152 K156 F157 F158 L319 P320L90-L154 HydrophobicContact CD1-CD1 4.4Å; L90-L154 HydrophobicContact CD2-CD1 3.68Å; V131-L154 HydrophobicContact CG1-CB 3.4Å; V131-L154 HydrophobicContact CG1-CD1 4.18Å; V131-L154 HydrophobicContact CG1-CG 4.45Å; L143-L154 HydrophobicContact CD2-CD1 4.16Å; T150-L154 HydrophobicContact CG2-CD1 4.03Å; T150-L154 HydrophobicContact CG2-CG 4.47Å; T150-L154 WeakPolarHBondContact O-CG 3.4Å; T150-L154 PolarHBondContact O-N 3.22Å; A151-L154 PolarHBondContact O-N 2.83Å; S152-L154 PolarHBondContact O-N 2.94Å; L154-K156 VanDerWaalsContact C-N 3.33Å; L154-K156 PolarHBondContact O-N 3.33Å; L154-F157 WeakPolarHBondContact O-CB 3.49Å; L154-F157 PolarHBondContact O-N 2.71Å; L154-F157 VanDerWaalsContact O-N 3.14Å; L154-F158 HydrophobicContact CB-CE2 4.44Å; L154-F158 WeakPolarHBondContact O-CD2 3.47Å; L154-F158 PolarHBondContact O-N 2.9Å; L154-L319 HydrophobicContact CD2-CD2 4.36Å; L154-P320 HydrophobicContact CD2-CG 4Å
155Q97.3Very high95.7Very high81 Ų8167.1 Ų67.138%0.37933%0.326SS..Hα-helixtrans-59.9-42.8173.1-73.1170.7-8.200111.7V130 V131 A151 S152 F158 T159V130-Q155 PolarHBondContact O-NE2 3.49Å; V130-Q155 VanDerWaalsContact O-NE2 3.11Å; V131-Q155 HydrophobicContact CG1-CG 4.19Å; A151-Q155 WeakPolarHBondContact O-CB 3.27Å; A151-Q155 VanDerWaalsContact O-CG 3.3Å; A151-Q155 WeakPolarHBondContact O-CG 3.27Å; A151-Q155 PolarHBondContact O-N 3.05Å; S152-Q155 PolarHBondContact O-N 3.4Å; Q155-F158 PolarHBondContact O-N 3.21Å; Q155-T159 WeakPolarHBondContact O-CB 3.39Å; Q155-T159 PolarHBondContact O-N 3.25Å; Q155-T159 PolarHBondContact O-OG1 3.36Å
156K96.7Very high95.5Very high141 Ų14174.9 Ų74.961%0.61336%0.355SS*.Hα-helixtrans-61.2-42.6172.5-72.1171.4-174.4173.40111.7S152 R153 L154 T159 H160S152-K156 VanDerWaalsContact O-CG 3.31Å; S152-K156 WeakPolarHBondContact O-CG 3.29Å; S152-K156 PolarHBondContact O-N 3.35Å; R153-K156 PolarHBondContact O-N 2.86Å; L154-K156 VanDerWaalsContact C-N 3.33Å; L154-K156 PolarHBondContact O-N 3.33Å; K156-T159 PolarHBondContact O-N 2.91Å; K156-H160 WeakPolarHBondContact O-CB 3.49Å; K156-H160 PolarHBondContact O-N 3.24Å
157F95.9Very high95.5Very high51 Ų5176.2 Ų76.222%0.22436%0.363CS..Hα-helixtrans-59-47.6175.7165-94000112.6R153 L154 T159 H160 S161 T168 L318 P320R153-F157 PolarHBondContact O-N 3.36Å; L154-F157 WeakPolarHBondContact O-CB 3.49Å; L154-F157 PolarHBondContact O-N 2.71Å; L154-F157 VanDerWaalsContact O-N 3.14Å; F157-T159 VanDerWaalsContact C-N 3.33Å; F157-T159 PolarHBondContact O-N 3.15Å; F157-H160 PolarHBondContact O-N 2.77Å; F157-S161 WeakPolarHBondContact O-CB 3.18Å; F157-S161 PolarHBondContact O-N 3.04Å; F157-S161 PolarHBondContact O-OG 3.25Å; F157-T168 HydrophobicContact CE1-CG2 3.82Å; F157-T168 HydrophobicContact CZ-CG2 4.05Å; F157-L318 WeakPolarHBondContact CE1-O 3.37Å; F157-P320 HydrophobicContact CB-CG 4.45Å; F157-P320 HydrophobicContact CD1-CG 4.37Å; F157-P320 HydrophobicContact CD2-CB 3.79Å; F157-P320 HydrophobicContact CD2-CG 3.88Å; F157-P320 HydrophobicContact CE2-CB 3.78Å; F157-P320 HydrophobicContact CE2-CG 4.2Å; F157-P320 HydrophobicContact CG-CB 4.39Å; F157-P320 HydrophobicContact CG-CG 3.96Å; F157-P320 HydrophobicContact CZ-CB 4.37Å
158F96.4Very high95.6Very high8 Ų875.8 Ų75.84%0.03536%0.359CS..Hα-helixtrans-63.7-40.6178.2-71.4-59.5000111.7V131 R132 L143 L154 Q155 S161 Q162 T168 L319V131-F158 HydrophobicContact CG1-CD2 4.14Å; V131-F158 HydrophobicContact CG1-CE2 3.75Å; R132-F158 HydrophobicContact CB-CE2 4.1Å; R132-F158 HydrophobicContact CB-CZ 4.43Å; L143-F158 HydrophobicContact CD2-CE2 4.2Å; L143-F158 HydrophobicContact CD2-CZ 4.27Å; L154-F158 HydrophobicContact CB-CE2 4.44Å; L154-F158 WeakPolarHBondContact O-CD2 3.47Å; L154-F158 PolarHBondContact O-N 2.9Å; Q155-F158 PolarHBondContact O-N 3.21Å; F158-S161 PolarHBondContact O-N 3.41Å; F158-Q162 WeakPolarHBondContact O-CB 3.44Å; F158-Q162 PolarHBondContact O-N 3.4Å; F158-T168 HydrophobicContact CD1-CG2 4.17Å; F158-T168 HydrophobicContact CE1-CG2 4.47Å; F158-L319 HydrophobicContact CE1-CD2 4.4Å; F158-L319 HydrophobicContact CE2-CD2 4.32Å; F158-L319 HydrophobicContact CZ-CD2 3.6Å
159T95.8Very high95.8Very high63 Ų6373.3 Ų73.339%0.38735%0.345SS..Hα-helixtrans-62.8-44.8176.3-57.20000111.4Q155 K156 F157 Q162 R163Q155-T159 WeakPolarHBondContact O-CB 3.39Å; Q155-T159 PolarHBondContact O-N 3.25Å; Q155-T159 PolarHBondContact O-OG1 3.36Å; K156-T159 PolarHBondContact O-N 2.91Å; F157-T159 VanDerWaalsContact C-N 3.33Å; F157-T159 PolarHBondContact O-N 3.15Å; T159-Q162 PolarHBondContact O-N 2.99Å; T159-R163 WeakPolarHBondContact O-CG 3.46Å; T159-R163 PolarHBondContact O-N 3.18Å; T159-R163 VanDerWaalsContact O-N 3.12Å
160H95.6Very high95.9Very high116 Ų11666.8 Ų66.854%0.53731%0.314SS..Hα-helixtrans-65.5-44.1177.5-177.972.7000111.9K156 F157 Q162 R163 A164K156-H160 WeakPolarHBondContact O-CB 3.49Å; K156-H160 PolarHBondContact O-N 3.24Å; F157-H160 PolarHBondContact O-N 2.77Å; H160-Q162 VanDerWaalsContact C-N 3.3Å; H160-Q162 PolarHBondContact O-N 3.4Å; H160-R163 PolarHBondContact O-N 3.02Å; H160-A164 WeakPolarHBondContact O-CB 3.34Å; H160-A164 PolarHBondContact O-N 2.88Å
161S95Very high96.1Very high5 Ų566.1 Ų66.14%0.03531%0.307CS..Hα-helixtrans-60.7-40.4177.3-60.10000111.8F157 F158 A164 Q165 R166 T168F157-S161 WeakPolarHBondContact O-CB 3.18Å; F157-S161 PolarHBondContact O-N 3.04Å; F157-S161 PolarHBondContact O-OG 3.25Å; F158-S161 PolarHBondContact O-N 3.41Å; S161-A164 CarbonylContact O-C 3.59Å; S161-A164 PolarHBondContact O-N 2.84Å; S161-Q165 PolarHBondContact O-N 3.1Å; S161-Q165 VanDerWaalsContact O-N 3.11Å; S161-R166 PolarHBondContact O-N 3.44Å; S161-T168 VanDerWaalsContact CB-CG2 3.44Å
162Q94.5Very high96.2Very high74 Ų7466.1 Ų66.135%0.34631%0.307SS..Hα-helixtrans-60.1-48.1174-170.5-173.653.900111.8F158 T159 H160 A164 Q165 L240 V242F158-Q162 WeakPolarHBondContact O-CB 3.44Å; F158-Q162 PolarHBondContact O-N 3.4Å; T159-Q162 PolarHBondContact O-N 2.99Å; H160-Q162 VanDerWaalsContact C-N 3.3Å; H160-Q162 PolarHBondContact O-N 3.4Å; Q162-A164 VanDerWaalsContact C-N 3.27Å; Q162-A164 PolarHBondContact O-N 2.93Å; Q162-Q165 PolarHBondContact O-N 3.3Å; Q162-L240 VanDerWaalsContact CG-O 3.25Å; Q162-L240 WeakPolarHBondContact CG-O 3.35Å; Q162-V242 VanDerWaalsContact NE2-CG2 3.32Å
163R94.6Very high96.3Very high200 Ų20064 Ų6476%0.75529%0.292SS*.Hα-helixtrans-61.6-36.5177.2-69.2175.7-174.7-179.81.5112.3T159 H160 Q165T159-R163 WeakPolarHBondContact O-CG 3.46Å; T159-R163 PolarHBondContact O-N 3.18Å; T159-R163 VanDerWaalsContact O-N 3.12Å; H160-R163 PolarHBondContact O-N 3.02Å; R163-Q165 PolarHBondContact O-N 3Å
164A95.2Very high96.5Very high44 Ų4456.4 Ų56.436%0.36426%0.264SS..THydrogen-bonded Turntrans-80.14.4175.900000113.8H160 S161 Q162 R166H160-A164 WeakPolarHBondContact O-CB 3.34Å; H160-A164 PolarHBondContact O-N 2.88Å; S161-A164 CarbonylContact O-C 3.59Å; S161-A164 PolarHBondContact O-N 2.84Å; Q162-A164 VanDerWaalsContact C-N 3.27Å; Q162-A164 PolarHBondContact O-N 2.93Å; A164-R166 HydrophobicContact CB-CG 4.16Å; A164-R166 PolarHBondContact O-N 2.98Å
165Q94.8Very high96.6Very high124 Ų12455.8 Ų55.858%0.57926%0.261SS*.THydrogen-bonded Turntrans52.136.7-175.6-61.6-171.8-15.500113.5S161 Q162 R163 L240S161-Q165 PolarHBondContact O-N 3.1Å; S161-Q165 VanDerWaalsContact O-N 3.11Å; Q162-Q165 PolarHBondContact O-N 3.3Å; R163-Q165 PolarHBondContact O-N 3Å; Q165-L240 HydrophobicContact CB-CD1 4.28Å; Q165-L240 VanDerWaalsContact O-CD2 3.27Å; Q165-L240 WeakPolarHBondContact O-CD2 3.39Å
166R94.4Very high96.6Very high163 Ų16352.6 Ų52.662%0.61525%0.246SC*.  trans-97.7117.7174.7-67.8-178.7-178.5162.30.2109.6S161 A164 T168S161-R166 PolarHBondContact O-N 3.44Å; A164-R166 HydrophobicContact CB-CG 4.16Å; A164-R166 PolarHBondContact O-N 2.98Å; R166-T168 PolarHBondContact O-N 2.83Å
167P95.1Very high96.6Very high39 Ų3946.3 Ų46.325%0.25322%0.221SC..  trans-70.7124.7-17928.3-31000110Q238 L240P167-Q238 HydrophobicContact CB-CB 3.81Å; P167-Q238 HydrophobicContact CB-CG 4.31Å; P167-L240 HydrophobicContact CB-CD2 3.85Å; P167-L240 HydrophobicContact CG-CD2 4.29Å
168T97.1Very high96.7Very high23 Ų2347.5 Ų47.514%0.14123%0.229CC..  trans-111.3-12.7178.248.60000112.7F157 F158 S161 R166 L317 L318F157-T168 HydrophobicContact CE1-CG2 3.82Å; F157-T168 HydrophobicContact CZ-CG2 4.05Å; F158-T168 HydrophobicContact CD1-CG2 4.17Å; F158-T168 HydrophobicContact CE1-CG2 4.47Å; S161-T168 VanDerWaalsContact CB-CG2 3.44Å; R166-T168 PolarHBondContact O-N 2.83Å; T168-L317 CarbonylContact O-C 3.6Å; T168-L317 WeakPolarHBondContact O-CA 3.39Å; T168-L318 PolarHBondContact O-N 3.25Å
169A97.7Very high96.8Very high12 Ų1247.4 Ų47.410%0.09923%0.229CC..EExtended strand (participates in β ladder)trans-121.9135.3178.700000109.7Y171 L314 R316 L317A169-Y171 HydrophobicContact CB-CE2 4.04Å; A169-L314 HydrophobicContact CB-CD1 3.86Å; A169-R316 WeakPolarHBondContact CA-O 3.36Å; A169-L317 HydrophobicContact CB-CD2 3.84Å
170T98.3Very high96.8Very high2 Ų251.5 Ų51.51%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-122.1121.7169.6-52.40000108.8Q236 Q238 H315 R316T170-Q236 HydrophobicContact CG2-CB 4.12Å; T170-Q236 HydrophobicContact CG2-CG 3.98Å; T170-Q238 HydrophobicContact CG2-CG 4.04Å; T170-Q238 PolarHBondContact OG1-NE2 2.79Å; T170-H315 PolarHBondContact O-N 3.36Å; T170-H315 VanDerWaalsContact O-N 3.12Å; T170-R316 PolarHBondContact N-O 3.16Å; T170-R316 PolarHBondContact O-N 3.2Å
171Y98.6Very high96.9Very high26 Ų2648.2 Ų48.210%0.10225%0.247CC..EExtended strand (participates in β ladder)trans-97.8145.9173.8-70-106.2000109.6A169 Q236 L237 P239 L247 L312 H313 L314A169-Y171 HydrophobicContact CB-CE2 4.04Å; Y171-Q236 CarbonylContact O-C 3.53Å; Y171-Q236 VanDerWaalsContact O-CA 3.31Å; Y171-Q236 WeakPolarHBondContact O-CA 3.46Å; Y171-L237 PolarHBondContact N-O 3.1Å; Y171-L237 PolarHBondContact O-N 3.38Å; Y171-P239 HydrophobicContact CD2-CG 4.06Å; Y171-P239 HydrophobicContact CE2-CG 3.79Å; Y171-L247 HydrophobicContact CD1-CD1 3.86Å; Y171-L247 HydrophobicContact CD2-CD1 3.57Å; Y171-L247 HydrophobicContact CE1-CD1 4.25Å; Y171-L247 HydrophobicContact CE2-CD1 4Å; Y171-L247 HydrophobicContact CG-CD1 3.51Å; Y171-L312 HydrophobicContact CD1-CD1 3.98Å; Y171-L312 HydrophobicContact CD1-CG 4.09Å; Y171-L312 HydrophobicContact CG-CD1 4.33Å; Y171-H313 CarbonylContact C-O 3.53Å; Y171-H313 WeakPolarHBondContact CA-O 3.49Å; Y171-L314 HydrophobicContact CD1-CB 3.93Å; Y171-L314 HydrophobicContact CD1-CD1 4.47Å; Y171-L314 HydrophobicContact CD2-CD1 3.97Å; Y171-L314 HydrophobicContact CE1-CB 3.59Å; Y171-L314 HydrophobicContact CE1-CD1 4.23Å; Y171-L314 HydrophobicContact CE1-CG 4.34Å; Y171-L314 HydrophobicContact CE2-CD1 3.69Å; Y171-L314 HydrophobicContact CG-CD1 4.34Å
172C98.5Very high97Very high0 Ų052.1 Ų52.10%028%0.275CS..EExtended strand (participates in β ladder)trans-101.9134.6164.7-69.60000108.6L234 V235 H313 H315 L335 F339C172-L234 HydrophobicContact CB-CD1 4.28Å; C172-V235 CarbonylContact C-O 3.54Å; C172-V235 WeakPolarHBondContact CA-O 3.42Å; C172-H313 PolarHBondContact N-O 3.05Å; C172-H313 PolarHBondContact O-N 2.91Å; C172-H315 HydrophobicContact CB-CB 4.37Å; C172-L335 HydrophobicContact CB-CD2 4.39Å; C172-F339 HydrophobicContact CB-CZ 4.04Å
173A98.7Very high97.2Very high0 Ų054.3 Ų54.30%029%0.285CS..EExtended strand (participates in β ladder)trans-130.5141.3175.400000111.7L234 V235 L237 V258 H311 L312A173-L234 CarbonylContact O-C 3.32Å; A173-L234 WeakPolarHBondContact O-CA 3.5Å; A173-V235 PolarHBondContact N-O 3.23Å; A173-V235 PolarHBondContact O-N 2.86Å; A173-L237 HydrophobicContact CB-CD1 3.78Å; A173-V258 HydrophobicContact CB-CG1 4.45Å; A173-V258 HydrophobicContact CB-CG2 4.33Å; A173-H311 WeakPolarHBondContact CA-O 3.09Å; A173-L312 HydrophobicContact CB-CD1 3.99Å
174V98.8Very high97.3Very high0 Ų046.3 Ų46.30%027%0.265CS..EExtended strand (participates in β ladder)trans-98.3128.3163.9-177.40000107.8A233 V258 L259 H311 F339 T342 L343 L346 L348V174-A233 CarbonylContact C-O 3.54Å; V174-A233 WeakPolarHBondContact CA-O 3.23Å; V174-V258 CarbonylContact O-C 3.47Å; V174-V258 WeakPolarHBondContact O-CA 3.36Å; V174-L259 HydrophobicContact CB-CB 4.27Å; V174-L259 HydrophobicContact CG1-CB 4.22Å; V174-L259 HydrophobicContact CG1-CD2 4.07Å; V174-L259 WeakPolarHBondContact O-CB 3.4Å; V174-L259 PolarHBondContact O-N 3.02Å; V174-H311 HydrophobicContact CB-CB 3.76Å; V174-H311 HydrophobicContact CG2-CB 4.09Å; V174-H311 PolarHBondContact N-O 3.12Å; V174-H311 VanDerWaalsContact N-O 3.1Å; V174-F339 HydrophobicContact CG2-CD1 4.29Å; V174-F339 HydrophobicContact CG2-CE1 3.63Å; V174-F339 HydrophobicContact CG2-CE2 4.46Å; V174-F339 HydrophobicContact CG2-CZ 3.72Å; V174-T342 HydrophobicContact CG1-CG2 4.19Å; V174-T342 HydrophobicContact CG2-CG2 4.42Å; V174-L343 HydrophobicContact CG2-CD2 3.69Å; V174-L346 HydrophobicContact CG1-CD1 3.82Å; V174-L348 HydrophobicContact CG1-CD1 4.18Å
175T98.7Very high97.5Very high0 Ų050.9 Ų50.90%028%0.277CS..EExtended strand (participates in β ladder)trans-111.7141-177.860.20000111.2G177 C232 A233 V235 M251 C256 P257T175-G177 PolarHBondContact O-N 3.44Å; T175-G177 PolarHBondContact OG1-O 3.47Å; T175-C232 VanDerWaalsContact O-CA 3.24Å; T175-C232 WeakPolarHBondContact O-CA 3.38Å; T175-C232 WeakPolarHBondContact O-CB 3.23Å; T175-A233 PolarHBondContact N-O 2.88Å; T175-A233 PolarHBondContact O-N 3.33Å; T175-A233 WeakPolarHBondContact OG1-CB 3.46Å; T175-A233 PolarHBondContact OG1-O 3.43Å; T175-V235 HydrophobicContact CG2-CG2 3.9Å; T175-M251 HydrophobicContact CG2-CE 3.63Å; T175-M251 HydrophobicContact CG2-CG 4.41Å; T175-M251 HydrophobicContact CG2-SD 4.43Å; T175-C256 WeakPolarHBondContact CB-O 3.38Å; T175-C256 WeakPolarHBondContact CG2-O 3.4Å; T175-P257 WeakPolarHBondContact CA-O 3.41Å
176N98Very high97.6Very high13 Ų1345.2 Ų45.27%0.0725%0.25CS..EExtended strand (participates in β ladder)trans-80.7109.6163.9173.7-6.5000107.8C256 P257 R275N176-C256 WeakPolarHBondContact O-CA 3.32Å; N176-P257 HydrophobicContact CB-CG 4.5Å; N176-P257 PolarHBondContact N-O 2.89Å; N176-P257 WeakPolarHBondContact O-CD 3.47Å; N176-R275 PolarHBondContact O-NH2 2.93Å; N176-R275 PolarHBondContact OD1-NH1 3.14Å
177G97.1Very high97.8Very high9 Ų944.2 Ų44.29%0.09325%0.252CS..BIsolated β-bridgetrans99.5161.6-165.300000112.3T175 G231T175-G177 PolarHBondContact O-N 3.44Å; T175-G177 PolarHBondContact OG1-O 3.47Å; G177-G231 CarbonylContact C-O 3.56Å; G177-G231 WeakPolarHBondContact CA-O 3.4Å; G177-G231 PolarHBondContact N-O 2.82Å
178I98Very high97.9Very high77 Ų7743 Ų4340%0.39525%0.245SC..  trans-115.9123.3179.7-59.3168.7000107.7T180 T228 A233 C256I178-T180 PolarHBondContact O-N 3.27Å; I178-T228 HydrophobicContact CD1-CG2 4.11Å; I178-T228 HydrophobicContact CG1-CG2 4.21Å; I178-T228 HydrophobicContact CG2-CG2 3.72Å; I178-A233 HydrophobicContact CG1-CB 4.27Å; I178-A233 HydrophobicContact CG2-CB 4.43Å; I178-C256 PolarHBondContact O-SG 3Å
179P97.8Very high97.9Very high5 Ų542.4 Ų42.43%0.03224%0.243CC..  trans-55.1137.3174.8-27.436.1000111.6A181 F223 V225 V235 M251 C256P179-A181 VanDerWaalsContact C-N 3.29Å; P179-A181 PolarHBondContact O-N 2.98Å; P179-F223 HydrophobicContact CB-CE2 3.87Å; P179-F223 HydrophobicContact CG-CE2 4.45Å; P179-V225 HydrophobicContact CB-CG2 4.22Å; P179-V225 HydrophobicContact CG-CG2 4.05Å; P179-V235 HydrophobicContact CG-CG2 4.3Å; P179-M251 HydrophobicContact CG-CE 3.94Å; P179-C256 HydrophobicContact CG-CB 4.26Å; P179-C256 VanDerWaalsContact N-SG 3.39Å
180T96.2Very high97.9Very high149 Ų14941.9 Ų41.991%0.91424%0.238SC*.SBendtrans-59.5-40.3-177.3-50.50000112.5I178I178-T180 PolarHBondContact O-N 3.27Å
181A97.4Very high97.8Very high47 Ų4744.7 Ų44.739%0.38825%0.251SS..SBendtrans-92.1140.7172.200000110.2P179 E183 F223P179-A181 VanDerWaalsContact C-N 3.29Å; P179-A181 PolarHBondContact O-N 2.98Å; A181-E183 VanDerWaalsContact C-N 3.27Å; A181-E183 PolarHBondContact O-N 3.44Å; A181-F223 HydrophobicContact CB-CZ 4.23Å; A181-F223 VanDerWaalsContact O-CE2 3.29Å; A181-F223 WeakPolarHBondContact O-CE2 3.25Å
182S97.1Very high97.6Very high87 Ų8747.7 Ų47.761%0.60827%0.268SS*.SBendtrans-72.4-20.4177.557.40000113.2R224 V225S182-R224 CarbonylContact O-C 3.56Å; S182-R224 WeakPolarHBondContact O-CA 3.35Å; S182-V225 PolarHBondContact O-N 3.5Å
183E98.3Very high97.3Very high120 Ų12050.3 Ų50.356%0.56128%0.28SS*.EExtended strand (participates in β ladder)trans-157.4160.7174.359.3-179.9-149.200110.6A181 F223 R224A181-E183 VanDerWaalsContact C-N 3.27Å; A181-E183 PolarHBondContact O-N 3.44Å; E183-F223 CarbonylContact C-O 3.54Å; E183-F223 VanDerWaalsContact CA-O 3.24Å; E183-F223 WeakPolarHBondContact CA-O 3.42Å; E183-F223 WeakPolarHBondContact CB-O 3.21Å; E183-R224 HydrophobicContact CB-CB 4.23Å; E183-R224 HydrophobicContact CB-CG 4.25Å
184G98Very high96.8Very high32 Ų3256.1 Ų56.133%0.3331%0.307SS..EExtended strand (participates in β ladder)trans164.4-160.1175.900000114.1H222 F223G184-H222 WeakPolarHBondContact O-CA 3.41Å; G184-F223 VanDerWaalsContact C-CD1 3.48Å; G184-F223 PolarHBondContact N-O 2.78Å; G184-F223 VanDerWaalsContact O-CD1 3.32Å; G184-F223 WeakPolarHBondContact O-CD1 3.24Å; G184-F223 PolarHBondContact O-N 3.41Å
185K98.3Very high96Very high141 Ų14157.6 Ų57.661%0.61331%0.314SS*.EExtended strand (participates in β ladder)trans-119.9135.3178.7-53-167.6-177.7-179.40109.7L220 S221 H222K185-L220 HydrophobicContact CB-CD1 4Å; K185-L220 HydrophobicContact CD-CD1 4.38Å; K185-S221 CarbonylContact C-O 3.54Å; K185-S221 WeakPolarHBondContact CA-O 3.36Å; K185-H222 WeakPolarHBondContact CD-NE2 3.31Å; K185-H222 VanDerWaalsContact CE-NE2 3.28Å; K185-H222 WeakPolarHBondContact CE-NE2 3.42Å
186I98.2Very high95.1Very high5 Ų563 Ų633%0.02634%0.343CS..EExtended strand (participates in β ladder)trans-109.4116.9172.1-51.8165.7000106.9L220 S221 F223 H250 M251 Q254I186-L220 WeakPolarHBondContact O-CA 3.47Å; I186-S221 PolarHBondContact N-O 3.07Å; I186-S221 PolarHBondContact O-N 3.3Å; I186-F223 HydrophobicContact CD1-CB 4.36Å; I186-F223 HydrophobicContact CD1-CD1 3.8Å; I186-F223 HydrophobicContact CD1-CE1 4.36Å; I186-F223 HydrophobicContact CD1-CG 4.19Å; I186-F223 HydrophobicContact CG1-CD1 3.64Å; I186-F223 HydrophobicContact CG1-CE1 3.94Å; I186-F223 HydrophobicContact CG1-CG 4.5Å; I186-H250 HydrophobicContact CB-CB 4.18Å; I186-H250 HydrophobicContact CD1-CB 3.99Å; I186-H250 HydrophobicContact CG2-CB 3.69Å; I186-H250 PolarHBondContact O-CE1 3.19Å; I186-M251 HydrophobicContact CD1-SD 4.29Å; I186-Q254 HydrophobicContact CD1-CG 3.6Å; I186-Q254 HydrophobicContact CG1-CG 3.97Å
187Q97.4Very high94.2Very high142 Ų14265.2 Ų65.266%0.66437%0.369SS*.EExtended strand (participates in β ladder)trans-121.5126.7178.7-173.3173.8-40.900109.8T219 L220Q187-T219 WeakPolarHBondContact CA-O 3.49Å; Q187-T219 WeakPolarHBondContact CG-O 3.34Å; Q187-L220 HydrophobicContact CB-CD1 4.16Å
188A97.2Very high93.6Very high13 Ų1368.3 Ų68.311%0.10739%0.386CS..EExtended strand (participates in β ladder)trans-148.7144.8177.700000110.4L190 T219 L253A188-L190 HydrophobicContact CB-CD2 3.92Å; A188-T219 PolarHBondContact N-O 3.01Å; A188-T219 VanDerWaalsContact N-O 3.12Å; A188-T219 PolarHBondContact O-N 3.19Å; A188-T219 PolarHBondContact O-OG1 2.88Å; A188-L253 HydrophobicContact CB-CD1 3.52Å
189A97.8Very high93.2Very high11 Ų1169.3 Ų69.39%0.09139%0.392CS..EExtended strand (participates in β ladder)trans-83.6127.916600000108.5P203 V204 P207 V216 K217A189-P203 CarbonylContact O-C 3.59Å; A189-P203 WeakPolarHBondContact O-CA 3.41Å; A189-V204 HydrophobicContact CB-CB 4.45Å; A189-V204 PolarHBondContact O-N 3.44Å; A189-P207 HydrophobicContact CB-CB 4.22Å; A189-P207 HydrophobicContact CB-CG 3.63Å; A189-V216 HydrophobicContact CB-CG1 3.71Å; A189-K217 CarbonylContact C-O 3.56Å; A189-K217 WeakPolarHBondContact CA-O 3.46Å
190L97.4Very high93Very high0 Ų069.2 Ų69.20%039%0.391CS..EExtended strand (participates in β ladder)trans-121.4142.9-175.6-55.8-176000110.3A188 T201 V202 P203 V216 K217 T219 F243 Q246 V249A188-L190 HydrophobicContact CB-CD2 3.92Å; L190-T201 HydrophobicContact CB-CG2 3.94Å; L190-T201 HydrophobicContact CD1-CG2 3.83Å; L190-T201 HydrophobicContact CD2-CG2 4.33Å; L190-T201 HydrophobicContact CG-CG2 4.25Å; L190-V202 WeakPolarHBondContact CA-O 3.46Å; L190-P203 HydrophobicContact CD2-CB 4.23Å; L190-V216 WeakPolarHBondContact O-CA 3.39Å; L190-K217 PolarHBondContact N-O 2.94Å; L190-K217 PolarHBondContact O-N 3.4Å; L190-T219 HydrophobicContact CB-CG2 4.23Å; L190-T219 HydrophobicContact CD1-CG2 3.75Å; L190-T219 WeakPolarHBondContact CD1-OG1 3.36Å; L190-T219 HydrophobicContact CG-CG2 3.92Å; L190-T219 WeakPolarHBondContact CG-OG1 3.3Å; L190-F243 HydrophobicContact CB-CD1 3.73Å; L190-F243 HydrophobicContact CB-CE1 3.69Å; L190-F243 HydrophobicContact CB-CG 4.31Å; L190-F243 HydrophobicContact CB-CZ 4.19Å; L190-F243 HydrophobicContact CD1-CD1 3.91Å; L190-F243 HydrophobicContact CD1-CG 4.43Å; L190-F243 HydrophobicContact CG-CD1 4.47Å; L190-Q246 HydrophobicContact CD1-CB 4.32Å; L190-Q246 HydrophobicContact CD1-CG 4.15Å; L190-V249 HydrophobicContact CD2-CG1 3.87Å
191K96.2Very high93Very high62 Ų6262.1 Ų62.127%0.2735%0.348SS..EExtended strand (participates in β ladder)trans-124.7157.7164.660.7179.9-173.9163.50110.5E193 T201 V202 V204 V216K191-E193 WeakPolarHBondContact CE-OE2 3.49Å; K191-E193 IonicContact NZ-OE1 2.77Å; K191-E193 PolarHBondContact NZ-OE1 3.02Å; K191-E193 IonicContact NZ-OE2 3.1Å; K191-E193 PolarHBondContact NZ-OE2 3.24Å; K191-E193 VanDerWaalsContact NZ-OE2 3.1Å; K191-T201 WeakPolarHBondContact O-CA 3.27Å; K191-V202 HydrophobicContact CD-CG2 3.99Å; K191-V202 HydrophobicContact CG-CG2 3.38Å; K191-V202 PolarHBondContact N-O 2.87Å; K191-V202 PolarHBondContact O-N 3.21Å; K191-V204 HydrophobicContact CB-CG2 4.22Å; K191-V204 HydrophobicContact CD-CG2 3.73Å; K191-V204 HydrophobicContact CG-CG2 3.61Å; K191-V216 HydrophobicContact CB-CG2 3.86Å; K191-V216 HydrophobicContact CD-CG2 4.49Å; K191-V216 HydrophobicContact CG-CG2 4.5Å
192L94.4Very high92.9Very high89 Ų8959.9 Ų59.947%0.46633%0.329SS..EExtended strand (participates in β ladder)trans-89.9126.7164.5-163.870.9000107.5N199 L200L192-N199 HydrophobicContact CD1-CB 4.04Å; L192-N199 HydrophobicContact CD2-CB 4.02Å; L192-N199 HydrophobicContact CG-CB 3.98Å; L192-L200 WeakPolarHBondContact CA-O 3.41Å
193E91.5Very high92.8Very high55 Ų5557.3 Ų57.326%0.25731%0.311SS..EExtended strand (participates in β ladder)trans-127139.7-178.9-171.6158.2-138.900109.7K191 I195 N199 L200 V202K191-E193 WeakPolarHBondContact CE-OE2 3.49Å; K191-E193 IonicContact NZ-OE1 2.77Å; K191-E193 PolarHBondContact NZ-OE1 3.02Å; K191-E193 IonicContact NZ-OE2 3.1Å; K191-E193 PolarHBondContact NZ-OE2 3.24Å; K191-E193 VanDerWaalsContact NZ-OE2 3.1Å; E193-I195 HydrophobicContact CB-CD1 4.45Å; E193-I195 HydrophobicContact CB-CG1 4.38Å; E193-I195 HydrophobicContact CG-CD1 4.19Å; E193-I195 HydrophobicContact CG-CG1 3.91Å; E193-N199 CarbonylContact O-C 3.54Å; E193-N199 WeakPolarHBondContact O-CA 3.31Å; E193-L200 PolarHBondContact N-O 3.38Å; E193-L200 PolarHBondContact O-N 3.38Å; E193-V202 HydrophobicContact CB-CG1 4.35Å; E193-V202 HydrophobicContact CB-CG2 4.11Å; E193-V202 VanDerWaalsContact OE2-CG2 3.27Å; E193-V202 WeakPolarHBondContact OE2-CG2 3.28Å
194H88.6Confident92.6Very high121 Ų12152.9 Ų52.956%0.5629%0.292SS*.EExtended strand (participates in β ladder)trans-90.5109.3178.9-166.573.3000109.2G197 N199H194-G197 PolarHBondContact CE1-O 3.17Å; H194-G197 WeakPolarHBondContact NE2-CA 3.48Å; H194-N199 PolarHBondContact ND1-OD1 2.78Å
195I82.8Confident92.3Very high31 Ų3160.9 Ų60.916%0.15932%0.318CS..EExtended strand (participates in β ladder)trans-126.7121.8-176.6-55.8178000107.6E193 G197 V198 L200 V202E193-I195 HydrophobicContact CB-CD1 4.45Å; E193-I195 HydrophobicContact CB-CG1 4.38Å; E193-I195 HydrophobicContact CG-CD1 4.19Å; E193-I195 HydrophobicContact CG-CG1 3.91Å; I195-G197 VanDerWaalsContact C-N 3.29Å; I195-G197 PolarHBondContact O-N 3.07Å; I195-V198 PolarHBondContact N-O 2.92Å; I195-V198 PolarHBondContact O-N 3.28Å; I195-V198 VanDerWaalsContact O-O 3.11Å; I195-L200 HydrophobicContact CB-CD1 4.24Å; I195-L200 HydrophobicContact CD1-CD1 4.36Å; I195-V202 HydrophobicContact CD1-CG1 4.25Å
196D79.2Confident91.9Very high114 Ų11458.8 Ų58.861%0.6133%0.327SS*.THydrogen-bonded Turntrans49.144.4178.3-65.8-19.5000114V198 K284D196-V198 VanDerWaalsContact C-N 3.27Å; D196-V198 PolarHBondContact O-N 2.89Å; D196-K284 VanDerWaalsContact OD2-CD 3.3Å; D196-K284 WeakPolarHBondContact OD2-CD 3.32Å; D196-K284 WeakPolarHBondContact OD2-CE 3.43Å; D196-K284 IonicContact OD2-NZ 3.66Å; D196-K284 PolarHBondContact OD2-NZ 3.36Å
197G80.3Confident91.5Very high59 Ų5960.3 Ų60.361%0.60834%0.337SS*.THydrogen-bonded Turntrans81.1-0.8179.200000115H194 I195H194-G197 PolarHBondContact CE1-O 3.17Å; H194-G197 WeakPolarHBondContact NE2-CA 3.48Å; I195-G197 VanDerWaalsContact C-N 3.29Å; I195-G197 PolarHBondContact O-N 3.07Å
198V84.4Confident91.3Very high74 Ų7456.1 Ų56.145%0.44832%0.323SS..EExtended strand (participates in β ladder)trans-119.3134.6-177.6-173.70000110.8I195 D196 L200I195-V198 PolarHBondContact N-O 2.92Å; I195-V198 PolarHBondContact O-N 3.28Å; I195-V198 VanDerWaalsContact O-O 3.11Å; D196-V198 VanDerWaalsContact C-N 3.27Å; D196-V198 PolarHBondContact O-N 2.89Å; V198-L200 HydrophobicContact CG1-CD2 3.8Å; V198-L200 HydrophobicContact CG1-CG 4.23Å; V198-L200 PolarHBondContact O-N 2.83Å
199N89.4Confident91Very high98 Ų9866 Ų6652%0.52436%0.358SS..EExtended strand (participates in β ladder)trans-81.3110.9172.8-70.3-28.3000110.2L192 E193 H194L192-N199 HydrophobicContact CD1-CB 4.04Å; L192-N199 HydrophobicContact CD2-CB 4.02Å; L192-N199 HydrophobicContact CG-CB 3.98Å; E193-N199 CarbonylContact O-C 3.54Å; E193-N199 WeakPolarHBondContact O-CA 3.31Å; H194-N199 PolarHBondContact ND1-OD1 2.78Å
200L93.4Very high90.8Very high3 Ų371.9 Ų71.92%0.01638%0.381CS..EExtended strand (participates in β ladder)trans-112.5144.4-178.5-62.7179.2000111.5L192 E193 I195 V198 T263 Y264 P285L192-L200 WeakPolarHBondContact CA-O 3.41Å; E193-L200 PolarHBondContact N-O 3.38Å; E193-L200 PolarHBondContact O-N 3.38Å; I195-L200 HydrophobicContact CB-CD1 4.24Å; I195-L200 HydrophobicContact CD1-CD1 4.36Å; V198-L200 HydrophobicContact CG1-CD2 3.8Å; V198-L200 HydrophobicContact CG1-CG 4.23Å; V198-L200 PolarHBondContact O-N 2.83Å; L200-T263 HydrophobicContact CD2-CG2 3.59Å; L200-Y264 HydrophobicContact CD2-CE1 4.48Å; L200-P285 HydrophobicContact CD1-CG 3.58Å; L200-P285 HydrophobicContact CD2-CG 3.82Å; L200-P285 HydrophobicContact CG-CG 4.32Å
201T95Very high90.5Very high0 Ų074.2 Ų74.20%039%0.394CS..EExtended strand (participates in β ladder)trans-82.6124.6170.3-61.40000109.9L190 K191 F243 S244 V249 Y264 R267L190-T201 HydrophobicContact CB-CG2 3.94Å; L190-T201 HydrophobicContact CD1-CG2 3.83Å; L190-T201 HydrophobicContact CD2-CG2 4.33Å; L190-T201 HydrophobicContact CG-CG2 4.25Å; K191-T201 WeakPolarHBondContact O-CA 3.27Å; T201-F243 HydrophobicContact CG2-CD1 3.83Å; T201-F243 HydrophobicContact CG2-CE1 3.65Å; T201-S244 PolarHBondContact OG1-O 2.86Å; T201-V249 HydrophobicContact CG2-CG2 3.9Å; T201-Y264 PolarHBondContact N-OH 3.36Å; T201-Y264 VanDerWaalsContact N-OH 3.1Å; T201-Y264 VanDerWaalsContact O-CE1 3.29Å; T201-Y264 WeakPolarHBondContact O-CE1 3.44Å; T201-R267 PolarHBondContact O-NH1 3.31Å; T201-R267 PolarHBondContact O-NH2 3.25Å
202V95.1Very high90.2Very high0 Ų074.6 Ų74.60%040%0.398CS..EExtended strand (participates in β ladder)trans-122.8143.5178.3-54.70000111.2L190 K191 E193 I195 A280L190-V202 WeakPolarHBondContact CA-O 3.46Å; K191-V202 HydrophobicContact CD-CG2 3.99Å; K191-V202 HydrophobicContact CG-CG2 3.38Å; K191-V202 PolarHBondContact N-O 2.87Å; K191-V202 PolarHBondContact O-N 3.21Å; E193-V202 HydrophobicContact CB-CG1 4.35Å; E193-V202 HydrophobicContact CB-CG2 4.11Å; E193-V202 VanDerWaalsContact OE2-CG2 3.27Å; E193-V202 WeakPolarHBondContact OE2-CG2 3.28Å; I195-V202 HydrophobicContact CD1-CG1 4.25Å; V202-A280 HydrophobicContact CB-CB 3.99Å; V202-A280 HydrophobicContact CG1-CB 3.91Å
203P95.3Very high90Very high33 Ų3377.8 Ų77.821%0.21442%0.415CS..EExtended strand (participates in β ladder)trans-75.2138.1171.831.8-33.6000111A189 L190 L253A189-P203 CarbonylContact O-C 3.59Å; A189-P203 WeakPolarHBondContact O-CA 3.41Å; L190-P203 HydrophobicContact CD2-CB 4.23Å; P203-L253 HydrophobicContact CB-CD1 4.5Å; P203-L253 HydrophobicContact CB-CD2 4.3Å; P203-L253 HydrophobicContact CG-CD2 4.22Å
204V94.5Very high90Very high28 Ų2881.4 Ų81.417%0.1743%0.432CS..EExtended strand (participates in β ladder)trans-108.6119.5175.9-176.80000109.1A189 K191 P207 V216A189-V204 HydrophobicContact CB-CB 4.45Å; A189-V204 PolarHBondContact O-N 3.44Å; K191-V204 HydrophobicContact CB-CG2 4.22Å; K191-V204 HydrophobicContact CD-CG2 3.73Å; K191-V204 HydrophobicContact CG-CG2 3.61Å; V204-P207 HydrophobicContact CG1-CB 4.19Å; V204-V216 HydrophobicContact CB-CG1 4.43Å; V204-V216 HydrophobicContact CB-CG2 4.36Å; V204-V216 HydrophobicContact CG1-CG2 4.46Å; V204-V216 HydrophobicContact CG2-CG1 4.49Å; V204-V216 HydrophobicContact CG2-CG2 3.81Å
205K91.2Very high90.1Very high199 Ų19977.2 Ų77.287%0.86542%0.421SS*.SBendtrans-76.1131175.1-65.9-179.2-178175.50109.2
206A90Very high90.7Very high98 Ų9876 Ų7681%0.8142%0.415SS*.SBendtrans45.763.8175.500000114.2S208A206-S208 PolarHBondContact O-N 3.22Å
207P91.3Very high91.5Very high36 Ų3676 Ų7623%0.23441%0.41CS..  trans-62.9131.4-175.330-38.6000111.9A189 V204 D211 V216A189-P207 HydrophobicContact CB-CB 4.22Å; A189-P207 HydrophobicContact CB-CG 3.63Å; V204-P207 HydrophobicContact CG1-CB 4.19Å; P207-D211 HydrophobicContact CB-CB 4.26Å; P207-V216 HydrophobicContact CB-CG1 3.94Å
208S92.5Very high92.3Very high54 Ų5480 Ų8038%0.37841%0.41SS..  trans-75.1171.4172.574.50000111.8A206 K210 D211 I212A206-S208 PolarHBondContact O-N 3.22Å; S208-K210 VanDerWaalsContact C-N 3.25Å; S208-K210 PolarHBondContact O-N 2.91Å; S208-K210 PolarHBondContact OG-N 2.92Å; S208-D211 WeakPolarHBondContact CA-OD2 3.32Å; S208-D211 VanDerWaalsContact CB-OD2 3.25Å; S208-D211 WeakPolarHBondContact CB-OD2 3.43Å; S208-D211 PolarHBondContact N-OD2 3.44Å; S208-D211 PolarHBondContact O-N 3.43Å; S208-D211 PolarHBondContact OG-N 3.38Å; S208-D211 PolarHBondContact OG-OD2 2.96Å; S208-I212 WeakPolarHBondContact O-CG1 3.39Å; S208-I212 PolarHBondContact O-N 3Å
209R91.4Very high92.9Very high221 Ų22176.5 Ų76.583%0.83439%0.389SS*.Hα-helixtrans-61.1-36.4171.9-72.8-175.8179.9175.60.4111.9I212 L213R209-I212 PolarHBondContact O-N 3.24Å; R209-L213 WeakPolarHBondContact O-CG 3.47Å; R209-L213 PolarHBondContact O-N 3.38Å
210K92.4Very high93.4Very high135 Ų13572.6 Ų72.659%0.58737%0.368SS*.Hα-helixtrans-62.7-46.6177.6-179.2179.6170.2-177.50110.7S208 I212 L213 E214S208-K210 VanDerWaalsContact C-N 3.25Å; S208-K210 PolarHBondContact O-N 2.91Å; S208-K210 PolarHBondContact OG-N 2.92Å; K210-I212 VanDerWaalsContact C-N 3.27Å; K210-I212 PolarHBondContact O-N 2.95Å; K210-L213 WeakPolarHBondContact O-CB 3.34Å; K210-L213 PolarHBondContact O-N 2.9Å; K210-E214 WeakPolarHBondContact CE-OE1 3.17Å; K210-E214 HydrophobicContact CG-CG 4.45Å; K210-E214 IonicContact NZ-OE1 3.78Å; K210-E214 WeakPolarHBondContact O-CG 3.49Å; K210-E214 PolarHBondContact O-N 3.05Å
211D91.2Very high93.6Very high48 Ų4872.5 Ų72.526%0.25737%0.368SS..Hα-helixtrans-59.1-38.9179.3-60.3-50.9000112.5P207 S208 L213 E214 G215 V216P207-D211 HydrophobicContact CB-CB 4.26Å; S208-D211 WeakPolarHBondContact CA-OD2 3.32Å; S208-D211 VanDerWaalsContact CB-OD2 3.25Å; S208-D211 WeakPolarHBondContact CB-OD2 3.43Å; S208-D211 PolarHBondContact N-OD2 3.44Å; S208-D211 PolarHBondContact O-N 3.43Å; S208-D211 PolarHBondContact OG-N 3.38Å; S208-D211 PolarHBondContact OG-OD2 2.96Å; D211-L213 VanDerWaalsContact C-N 3.34Å; D211-E214 CarbonylContact O-C 3.57Å; D211-E214 PolarHBondContact O-N 3.24Å; D211-G215 PolarHBondContact O-N 3.45Å; D211-V216 HydrophobicContact CB-CB 4.21Å; D211-V216 HydrophobicContact CB-CG2 3.79Å; D211-V216 VanDerWaalsContact O-CB 3.24Å; D211-V216 WeakPolarHBondContact O-CB 3.28Å; D211-V216 WeakPolarHBondContact O-CG2 3.42Å; D211-V216 PolarHBondContact O-N 3.27Å
212I91.1Very high93.8Very high71 Ų7174.7 Ų74.736%0.36438%0.378SS..Hα-helixtrans-65.6-38.7177.9-64.9169000111.2S208 R209 K210 E214 G215S208-I212 WeakPolarHBondContact O-CG1 3.39Å; S208-I212 PolarHBondContact O-N 3Å; R209-I212 PolarHBondContact O-N 3.24Å; K210-I212 VanDerWaalsContact C-N 3.27Å; K210-I212 PolarHBondContact O-N 2.95Å; I212-E214 VanDerWaalsContact C-N 3.32Å; I212-G215 PolarHBondContact O-N 3.11Å
213L90.2Very high93.9Very high156 Ų15675.3 Ų75.382%0.81738%0.381SS*.Hα-helixtrans-67.9-34.3174.6-67.1170.3000111.5R209 K210 D211 G215R209-L213 WeakPolarHBondContact O-CG 3.47Å; R209-L213 PolarHBondContact O-N 3.38Å; K210-L213 WeakPolarHBondContact O-CB 3.34Å; K210-L213 PolarHBondContact O-N 2.9Å; D211-L213 VanDerWaalsContact C-N 3.34Å; L213-G215 PolarHBondContact O-N 3.23Å
214E90Very high94.1Very high131 Ų13179.1 Ų79.161%0.61239%0.391SS*.THydrogen-bonded Turntrans-80.79.7176.8-68.4178.5168.400113.8K210 D211 I212K210-E214 WeakPolarHBondContact CE-OE1 3.17Å; K210-E214 HydrophobicContact CG-CG 4.45Å; K210-E214 IonicContact NZ-OE1 3.78Å; K210-E214 WeakPolarHBondContact O-CG 3.49Å; K210-E214 PolarHBondContact O-N 3.05Å; D211-E214 CarbonylContact O-C 3.57Å; D211-E214 PolarHBondContact O-N 3.24Å; I212-E214 VanDerWaalsContact C-N 3.32Å
215G90.9Very high94.3Very high33 Ų3378.9 Ų78.934%0.3439%0.39SS..THydrogen-bonded Turntrans104.33.416900000115.6D211 I212 L213 K217D211-G215 PolarHBondContact O-N 3.45Å; I212-G215 PolarHBondContact O-N 3.11Å; L213-G215 PolarHBondContact O-N 3.23Å; G215-K217 PolarHBondContact O-N 3.34Å
216V96.2Very high94.6Very high6 Ų670.3 Ų70.34%0.03635%0.354CS..  trans-62.8130.4168.81740000110.3A189 L190 K191 V204 P207 D211A189-V216 HydrophobicContact CB-CG1 3.71Å; L190-V216 WeakPolarHBondContact O-CA 3.39Å; K191-V216 HydrophobicContact CB-CG2 3.86Å; K191-V216 HydrophobicContact CD-CG2 4.49Å; K191-V216 HydrophobicContact CG-CG2 4.5Å; V204-V216 HydrophobicContact CB-CG1 4.43Å; V204-V216 HydrophobicContact CB-CG2 4.36Å; V204-V216 HydrophobicContact CG1-CG2 4.46Å; V204-V216 HydrophobicContact CG2-CG1 4.49Å; V204-V216 HydrophobicContact CG2-CG2 3.81Å; P207-V216 HydrophobicContact CB-CG1 3.94Å; D211-V216 HydrophobicContact CB-CB 4.21Å; D211-V216 HydrophobicContact CB-CG2 3.79Å; D211-V216 VanDerWaalsContact O-CB 3.24Å; D211-V216 WeakPolarHBondContact O-CB 3.28Å; D211-V216 WeakPolarHBondContact O-CG2 3.42Å; D211-V216 PolarHBondContact O-N 3.27Å
217K96.4Very high95Very high114 Ų11466.6 Ų66.650%0.49632%0.323SS..EExtended strand (participates in β ladder)trans-118.6132.1175.9-59-59.7178-167.60110.7A189 L190 G215 T219 F243A189-K217 CarbonylContact C-O 3.56Å; A189-K217 WeakPolarHBondContact CA-O 3.46Å; L190-K217 PolarHBondContact N-O 2.94Å; L190-K217 PolarHBondContact O-N 3.4Å; G215-K217 PolarHBondContact O-N 3.34Å; K217-T219 PolarHBondContact O-N 2.85Å; K217-F243 HydrophobicContact CB-CD2 3.81Å; K217-F243 HydrophobicContact CB-CE2 3.91Å; K217-F243 HydrophobicContact CG-CD2 3.91Å; K217-F243 HydrophobicContact CG-CE2 3.76Å
218K96.3Very high95.3Very high141 Ų14168.7 Ų68.761%0.61334%0.335SS*.EExtended strand (participates in β ladder)trans-70.4124.4166.3-67.2-178.2-179.11790108.2
219T97.8Very high95.5Very high2 Ų267 Ų671%0.01233%0.326CS..EExtended strand (participates in β ladder)trans-118.1149.4-177.864.80000111.2Q187 A188 L190 K217 T241 F243 Q246 H250Q187-T219 WeakPolarHBondContact CA-O 3.49Å; Q187-T219 WeakPolarHBondContact CG-O 3.34Å; A188-T219 PolarHBondContact N-O 3.01Å; A188-T219 VanDerWaalsContact N-O 3.12Å; A188-T219 PolarHBondContact O-N 3.19Å; A188-T219 PolarHBondContact O-OG1 2.88Å; L190-T219 HydrophobicContact CB-CG2 4.23Å; L190-T219 HydrophobicContact CD1-CG2 3.75Å; L190-T219 WeakPolarHBondContact CD1-OG1 3.36Å; L190-T219 HydrophobicContact CG-CG2 3.92Å; L190-T219 WeakPolarHBondContact CG-OG1 3.3Å; K217-T219 PolarHBondContact O-N 2.85Å; T219-T241 WeakPolarHBondContact CA-OG1 3.33Å; T219-T241 WeakPolarHBondContact CB-OG1 3.48Å; T219-F243 HydrophobicContact CG2-CB 3.68Å; T219-F243 HydrophobicContact CG2-CD2 4.48Å; T219-F243 HydrophobicContact CG2-CG 4.09Å; T219-Q246 HydrophobicContact CG2-CG 4.41Å; T219-H250 PolarHBondContact OG1-NE2 3.26Å
220L98.3Very high95.7Very high16 Ų1658.9 Ų58.98%0.08430%0.303CS..EExtended strand (participates in β ladder)trans-143131-176.7179.263.1000110.1K185 I186 Q187 L240 T241 Q246K185-L220 HydrophobicContact CB-CD1 4Å; K185-L220 HydrophobicContact CD-CD1 4.38Å; I186-L220 WeakPolarHBondContact O-CA 3.47Å; Q187-L220 HydrophobicContact CB-CD1 4.16Å; L220-L240 HydrophobicContact CB-CB 4.34Å; L220-L240 HydrophobicContact CD2-CB 4.28Å; L220-L240 HydrophobicContact CD2-CD1 3.54Å; L220-L240 HydrophobicContact CG-CB 4.26Å; L220-L240 HydrophobicContact CG-CD1 3.95Å; L220-L240 PolarHBondContact O-N 3.46Å; L220-T241 HydrophobicContact CB-CG2 4.39Å; L220-T241 PolarHBondContact N-OG1 2.95Å; L220-T241 PolarHBondContact O-N 3.03Å; L220-T241 PolarHBondContact O-OG1 3.4Å; L220-Q246 PolarHBondContact O-NE2 3.22Å; L220-Q246 VanDerWaalsContact O-NE2 3.17Å
221S98.6Very high95.9Very high0 Ų054.7 Ų54.70%030%0.299CS..EExtended strand (participates in β ladder)trans-132.6140.5169.5-480000109.6K185 I186 Q238 Q246 L247 H250K185-S221 CarbonylContact C-O 3.54Å; K185-S221 WeakPolarHBondContact CA-O 3.36Å; I186-S221 PolarHBondContact N-O 3.07Å; I186-S221 PolarHBondContact O-N 3.3Å; S221-Q238 WeakPolarHBondContact CA-O 3.14Å; S221-Q246 PolarHBondContact OG-NE2 3.05Å; S221-L247 WeakPolarHBondContact OG-CD2 3.48Å; S221-H250 WeakPolarHBondContact CB-ND1 3.38Å; S221-H250 PolarHBondContact OG-CE1 3.42Å; S221-H250 PolarHBondContact OG-ND1 3.26Å
222H98.6Very high96.2Very high47 Ų4752.5 Ų52.522%0.21829%0.287CS..EExtended strand (participates in β ladder)trans-87147.7162.5-62.3172.5000109.2G184 K185 L237 Q238 L240G184-H222 WeakPolarHBondContact O-CA 3.41Å; K185-H222 WeakPolarHBondContact CD-NE2 3.31Å; K185-H222 VanDerWaalsContact CE-NE2 3.28Å; K185-H222 WeakPolarHBondContact CE-NE2 3.42Å; H222-L237 WeakPolarHBondContact O-CA 3.22Å; H222-Q238 HydrophobicContact CB-CB 4.25Å; H222-Q238 PolarHBondContact N-O 3.34Å; H222-Q238 PolarHBondContact O-N 2.82Å; H222-L240 WeakPolarHBondContact NE2-CD1 3.38Å
223F98.7Very high96.6Very high12 Ų1249.1 Ų49.15%0.05327%0.27CS..EExtended strand (participates in β ladder)trans-135.8153174.179.4-81.3000111.4P179 A181 E183 G184 I186 V235 Q236 L237P179-F223 HydrophobicContact CB-CE2 3.87Å; P179-F223 HydrophobicContact CG-CE2 4.45Å; A181-F223 HydrophobicContact CB-CZ 4.23Å; A181-F223 VanDerWaalsContact O-CE2 3.29Å; A181-F223 WeakPolarHBondContact O-CE2 3.25Å; E183-F223 CarbonylContact C-O 3.54Å; E183-F223 VanDerWaalsContact CA-O 3.24Å; E183-F223 WeakPolarHBondContact CA-O 3.42Å; E183-F223 WeakPolarHBondContact CB-O 3.21Å; G184-F223 VanDerWaalsContact C-CD1 3.48Å; G184-F223 PolarHBondContact N-O 2.78Å; G184-F223 VanDerWaalsContact O-CD1 3.32Å; G184-F223 WeakPolarHBondContact O-CD1 3.24Å; G184-F223 PolarHBondContact O-N 3.41Å; I186-F223 HydrophobicContact CD1-CB 4.36Å; I186-F223 HydrophobicContact CD1-CD1 3.8Å; I186-F223 HydrophobicContact CD1-CE1 4.36Å; I186-F223 HydrophobicContact CD1-CG 4.19Å; I186-F223 HydrophobicContact CG1-CD1 3.64Å; I186-F223 HydrophobicContact CG1-CE1 3.94Å; I186-F223 HydrophobicContact CG1-CG 4.5Å; F223-V235 HydrophobicContact CB-CG1 4.06Å; F223-V235 HydrophobicContact CD2-CG1 4.27Å; F223-Q236 CarbonylContact C-O 3.55Å; F223-Q236 WeakPolarHBondContact CA-O 3.48Å; F223-L237 HydrophobicContact CB-CD2 3.56Å
224R98.5Very high97Very high113 Ų11341.7 Ų41.743%0.42623%0.231SC..EExtended strand (participates in β ladder)trans-146.7128.4172.9-179.5175179.5-124.8-3.6109.5S182 E183 V226 V235 Q236S182-R224 CarbonylContact O-C 3.56Å; S182-R224 WeakPolarHBondContact O-CA 3.35Å; E183-R224 HydrophobicContact CB-CB 4.23Å; E183-R224 HydrophobicContact CB-CG 4.25Å; R224-V226 PolarHBondContact O-N 3.21Å; R224-V235 CarbonylContact O-C 3.58Å; R224-V235 WeakPolarHBondContact O-CA 3.44Å; R224-Q236 PolarHBondContact N-O 2.88Å; R224-Q236 PolarHBondContact O-N 3.3Å
225V98.6Very high97.4Very high24 Ų2435.5 Ų35.515%0.14520%0.202CC..EExtended strand (participates in β ladder)trans-75.5120.9171.7-179.70000108P179 S182 T228 A233 V235P179-V225 HydrophobicContact CB-CG2 4.22Å; P179-V225 HydrophobicContact CG-CG2 4.05Å; S182-V225 PolarHBondContact O-N 3.5Å; V225-T228 HydrophobicContact CG1-CG2 3.55Å; V225-A233 HydrophobicContact CG1-CB 4.07Å; V225-V235 HydrophobicContact CG2-CG2 4.36Å
226V98.1Very high97.8Very high18 Ų1835.7 Ų35.711%0.10919%0.194CC..EExtended strand (participates in β ladder)trans-93.6-42.1-178.2179.20000111R224 L234 Q236 Q351R224-V226 PolarHBondContact O-N 3.21Å; V226-L234 HydrophobicContact CB-CD2 4.41Å; V226-L234 HydrophobicContact CB-CG 4.23Å; V226-L234 HydrophobicContact CG1-CD2 4.34Å; V226-L234 PolarHBondContact N-O 2.92Å; V226-Q236 HydrophobicContact CG2-CB 4.09Å; V226-Q236 HydrophobicContact CG2-CG 3.58Å; V226-Q351 HydrophobicContact CG1-CB 4.35Å; V226-Q351 HydrophobicContact CG1-CG 4.07Å
227A98.2Very high97.9Very high21 Ų2135.4 Ų35.417%0.17419%0.192CC..EExtended strand (participates in β ladder)trans-149.3153.9178.300000109.9A233 L234 L348A227-A233 CarbonylContact O-C 3.54Å; A227-A233 WeakPolarHBondContact O-CA 3.33Å; A227-L234 HydrophobicContact CB-CB 4.25Å; A227-L234 PolarHBondContact N-O 2.94Å; A227-L234 PolarHBondContact O-N 2.82Å; A227-L348 HydrophobicContact CB-CB 4.45Å; A227-L348 HydrophobicContact CB-CD2 3.92Å
228T98.3Very high98Very high80 Ų8032 Ų3249%0.49118%0.178SC..EExtended strand (participates in β ladder)trans-130.5150.4173.559.50000109.8I178 V225 C232 A233I178-T228 HydrophobicContact CD1-CG2 4.11Å; I178-T228 HydrophobicContact CG1-CG2 4.21Å; I178-T228 HydrophobicContact CG2-CG2 3.72Å; V225-T228 HydrophobicContact CG1-CG2 3.55Å; T228-C232 WeakPolarHBondContact CA-O 3.45Å; T228-A233 HydrophobicContact CG2-CB 4.17Å
229G96.7Very high98.1Very high18 Ų1826.5 Ų26.519%0.18616%0.157CC..EExtended strand (participates in β ladder)trans179.1137.7-177.400000111.3G231 C232G229-G231 VanDerWaalsContact C-N 3.27Å; G229-G231 PolarHBondContact O-N 2.8Å; G229-C232 PolarHBondContact N-O 2.99Å; G229-C232 WeakPolarHBondContact O-CB 3.15Å; G229-C232 PolarHBondContact O-N 2.94Å
230S95.3Very high98Very high50 Ų5026.8 Ų26.835%0.3516%0.158SC..THydrogen-bonded Turntrans53.640175.8-39.20000113.6C232 R297 L346S230-C232 PolarHBondContact O-N 2.79Å; S230-R297 PolarHBondContact OG-NE 2.97Å; S230-R297 PolarHBondContact OG-NH2 3.15Å; S230-L346 PolarHBondContact OG-O 2.63Å
231G95.4Very high97.9Very high48 Ų4827.7 Ų27.750%0.49516%0.164SC..THydrogen-bonded Turntrans72.15.7-177.700000115.3G177 G229G177-G231 CarbonylContact C-O 3.56Å; G177-G231 WeakPolarHBondContact CA-O 3.4Å; G177-G231 PolarHBondContact N-O 2.82Å; G229-G231 VanDerWaalsContact C-N 3.27Å; G229-G231 PolarHBondContact O-N 2.8Å
232C98.3Very high97.6Very high1 Ų132 Ų321%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-114.2163.2178.9-63.10000111.2T175 T228 G229 S230 L346T175-C232 VanDerWaalsContact O-CA 3.24Å; T175-C232 WeakPolarHBondContact O-CA 3.38Å; T175-C232 WeakPolarHBondContact O-CB 3.23Å; T228-C232 WeakPolarHBondContact CA-O 3.45Å; G229-C232 PolarHBondContact N-O 2.99Å; G229-C232 WeakPolarHBondContact O-CB 3.15Å; G229-C232 PolarHBondContact O-N 2.94Å; S230-C232 PolarHBondContact O-N 2.79Å; C232-L346 HydrophobicContact CB-CD1 3.89Å
233A98.6Very high97.5Very high0 Ų031.7 Ų31.70%019%0.188CC..EExtended strand (participates in β ladder)trans-129.8146.2172.600000112.1V174 T175 I178 V225 A227 T228 V235V174-A233 CarbonylContact C-O 3.54Å; V174-A233 WeakPolarHBondContact CA-O 3.23Å; T175-A233 PolarHBondContact N-O 2.88Å; T175-A233 PolarHBondContact O-N 3.33Å; T175-A233 WeakPolarHBondContact OG1-CB 3.46Å; T175-A233 PolarHBondContact OG1-O 3.43Å; I178-A233 HydrophobicContact CG1-CB 4.27Å; I178-A233 HydrophobicContact CG2-CB 4.43Å; V225-A233 HydrophobicContact CG1-CB 4.07Å; A227-A233 CarbonylContact O-C 3.54Å; A227-A233 WeakPolarHBondContact O-CA 3.33Å; T228-A233 HydrophobicContact CG2-CB 4.17Å; A233-V235 HydrophobicContact CB-CG2 3.95Å
234L98.8Very high97.2Very high1 Ų134.3 Ų34.31%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-91.7118.6160.7176.158.7000107.9C172 A173 V226 A227 F339 L343 L348 L350C172-L234 HydrophobicContact CB-CD1 4.28Å; A173-L234 CarbonylContact O-C 3.32Å; A173-L234 WeakPolarHBondContact O-CA 3.5Å; V226-L234 HydrophobicContact CB-CD2 4.41Å; V226-L234 HydrophobicContact CB-CG 4.23Å; V226-L234 HydrophobicContact CG1-CD2 4.34Å; V226-L234 PolarHBondContact N-O 2.92Å; A227-L234 HydrophobicContact CB-CB 4.25Å; A227-L234 PolarHBondContact N-O 2.94Å; A227-L234 PolarHBondContact O-N 2.82Å; L234-F339 HydrophobicContact CD1-CE1 4.15Å; L234-F339 HydrophobicContact CD1-CZ 4.23Å; L234-L343 HydrophobicContact CB-CD2 4.44Å; L234-L343 HydrophobicContact CD1-CD2 4.11Å; L234-L343 HydrophobicContact CD2-CD1 4.43Å; L234-L343 HydrophobicContact CD2-CD2 4.17Å; L234-L343 HydrophobicContact CG-CD2 4.48Å; L234-L348 HydrophobicContact CB-CB 4.4Å; L234-L348 HydrophobicContact CB-CD1 4.31Å; L234-L350 HydrophobicContact CD2-CB 4.07Å; L234-L350 HydrophobicContact CD2-CD1 3.9Å
235V98.8Very high97.1Very high0 Ų030.4 Ų30.40%020%0.198CC..EExtended strand (participates in β ladder)trans-119.3130.6-173.8-173.90000109.9C172 A173 T175 P179 F223 R224 V225 A233 L237C172-V235 CarbonylContact C-O 3.54Å; C172-V235 WeakPolarHBondContact CA-O 3.42Å; A173-V235 PolarHBondContact N-O 3.23Å; A173-V235 PolarHBondContact O-N 2.86Å; T175-V235 HydrophobicContact CG2-CG2 3.9Å; P179-V235 HydrophobicContact CG-CG2 4.3Å; F223-V235 HydrophobicContact CB-CG1 4.06Å; F223-V235 HydrophobicContact CD2-CG1 4.27Å; R224-V235 CarbonylContact O-C 3.58Å; R224-V235 WeakPolarHBondContact O-CA 3.44Å; V225-V235 HydrophobicContact CG2-CG2 4.36Å; A233-V235 HydrophobicContact CB-CG2 3.95Å; V235-L237 HydrophobicContact CG1-CD2 3.87Å; V235-L237 HydrophobicContact CG1-CG 4.09Å
236Q98.6Very high97Very high38 Ų3829.6 Ų29.618%0.17819%0.193CC..EExtended strand (participates in β ladder)trans-84.6130.4164.1-83.4173.8-2.700109.5T170 Y171 F223 R224 V226T170-Q236 HydrophobicContact CG2-CB 4.12Å; T170-Q236 HydrophobicContact CG2-CG 3.98Å; Y171-Q236 CarbonylContact O-C 3.53Å; Y171-Q236 VanDerWaalsContact O-CA 3.31Å; Y171-Q236 WeakPolarHBondContact O-CA 3.46Å; F223-Q236 CarbonylContact C-O 3.55Å; F223-Q236 WeakPolarHBondContact CA-O 3.48Å; R224-Q236 PolarHBondContact N-O 2.88Å; R224-Q236 PolarHBondContact O-N 3.3Å; V226-Q236 HydrophobicContact CG2-CB 4.09Å; V226-Q236 HydrophobicContact CG2-CG 3.58Å
237L98.7Very high97.1Very high0 Ų029.3 Ų29.30%019%0.191CC..EExtended strand (participates in β ladder)trans-124.1126.3-179.1-64.3169000110Y171 A173 H222 F223 V235 L247 M251 L312Y171-L237 PolarHBondContact N-O 3.1Å; Y171-L237 PolarHBondContact O-N 3.38Å; A173-L237 HydrophobicContact CB-CD1 3.78Å; H222-L237 WeakPolarHBondContact O-CA 3.22Å; F223-L237 HydrophobicContact CB-CD2 3.56Å; V235-L237 HydrophobicContact CG1-CD2 3.87Å; V235-L237 HydrophobicContact CG1-CG 4.09Å; L237-L247 HydrophobicContact CB-CD1 4.25Å; L237-L247 HydrophobicContact CB-CD2 4.05Å; L237-L247 HydrophobicContact CD1-CB 4.2Å; L237-L247 HydrophobicContact CD1-CD1 4.42Å; L237-L247 HydrophobicContact CD1-CD2 4.4Å; L237-M251 HydrophobicContact CD1-CG 3.99Å; L237-M251 HydrophobicContact CD1-SD 4.22Å; L237-M251 HydrophobicContact CD2-CG 4.48Å; L237-M251 HydrophobicContact CD2-SD 3.73Å; L237-L312 HydrophobicContact CD1-CD1 4.21Å
238Q98.6Very high97.1Very high42 Ų4228.7 Ų28.720%0.19618%0.184CC..EExtended strand (participates in β ladder)trans-121.292.3-179.5-68.8-176.7-31.600109.6P167 T170 S221 H222 L240P167-Q238 HydrophobicContact CB-CB 3.81Å; P167-Q238 HydrophobicContact CB-CG 4.31Å; T170-Q238 HydrophobicContact CG2-CG 4.04Å; T170-Q238 PolarHBondContact OG1-NE2 2.79Å; S221-Q238 WeakPolarHBondContact CA-O 3.14Å; H222-Q238 HydrophobicContact CB-CB 4.25Å; H222-Q238 PolarHBondContact N-O 3.34Å; H222-Q238 PolarHBondContact O-N 2.82Å; Q238-L240 PolarHBondContact O-N 2.9Å
239P97.9Very high97Very high25 Ų2525 Ų2516%0.16216%0.161CC..EExtended strand (participates in β ladder)trans-69126.4178.427.1-32.1000110.6Y171 T241 L247Y171-P239 HydrophobicContact CD2-CG 4.06Å; Y171-P239 HydrophobicContact CE2-CG 3.79Å; P239-T241 WeakPolarHBondContact CB-O 3.46Å; P239-L247 HydrophobicContact CB-CD2 4.05Å; P239-L247 HydrophobicContact CG-CD1 4.43Å; P239-L247 HydrophobicContact CG-CD2 4.35Å
240L97.5Very high97.1Very high8 Ų824.1 Ų24.14%0.04215%0.153CC..SBendtrans-93.5-14.1172.5-69178.7000112.5Q162 Q165 P167 L220 H222 Q238Q162-L240 VanDerWaalsContact CG-O 3.25Å; Q162-L240 WeakPolarHBondContact CG-O 3.35Å; Q165-L240 HydrophobicContact CB-CD1 4.28Å; Q165-L240 VanDerWaalsContact O-CD2 3.27Å; Q165-L240 WeakPolarHBondContact O-CD2 3.39Å; P167-L240 HydrophobicContact CB-CD2 3.85Å; P167-L240 HydrophobicContact CG-CD2 4.29Å; L220-L240 HydrophobicContact CB-CB 4.34Å; L220-L240 HydrophobicContact CD2-CB 4.28Å; L220-L240 HydrophobicContact CD2-CD1 3.54Å; L220-L240 HydrophobicContact CG-CB 4.26Å; L220-L240 HydrophobicContact CG-CD1 3.95Å; L220-L240 PolarHBondContact O-N 3.46Å; H222-L240 WeakPolarHBondContact NE2-CD1 3.38Å; Q238-L240 PolarHBondContact O-N 2.9Å
241T96Very high97.3Very high35 Ų3521.7 Ų21.722%0.21514%0.136CC..SBendtrans-120.9162.8172.156.10000109.7T219 L220 P239 Q246T219-T241 WeakPolarHBondContact CA-OG1 3.33Å; T219-T241 WeakPolarHBondContact CB-OG1 3.48Å; L220-T241 HydrophobicContact CB-CG2 4.39Å; L220-T241 PolarHBondContact N-OG1 2.95Å; L220-T241 PolarHBondContact O-N 3.03Å; L220-T241 PolarHBondContact O-OG1 3.4Å; P239-T241 WeakPolarHBondContact CB-O 3.46Å; T241-Q246 PolarHBondContact O-OE1 3.33Å; T241-Q246 VanDerWaalsContact OG1-CD 3.23Å; T241-Q246 PolarHBondContact OG1-NE2 3.19Å; T241-Q246 PolarHBondContact OG1-OE1 3.33Å
242V92.6Very high97.4Very high90 Ų9019.6 Ų19.655%0.54511%0.113SC..  trans-118.2117.4174.5175.30000107.7Q162Q162-V242 VanDerWaalsContact NE2-CG2 3.32Å
243F95.1Very high97.4Very high41 Ų4121.8 Ų21.818%0.1813%0.125CC..  trans-145.7151.5173.5-161.1-91.9000109L190 T201 K217 T219 S245 Q246L190-F243 HydrophobicContact CB-CD1 3.73Å; L190-F243 HydrophobicContact CB-CE1 3.69Å; L190-F243 HydrophobicContact CB-CG 4.31Å; L190-F243 HydrophobicContact CB-CZ 4.19Å; L190-F243 HydrophobicContact CD1-CD1 3.91Å; L190-F243 HydrophobicContact CD1-CG 4.43Å; L190-F243 HydrophobicContact CG-CD1 4.47Å; T201-F243 HydrophobicContact CG2-CD1 3.83Å; T201-F243 HydrophobicContact CG2-CE1 3.65Å; K217-F243 HydrophobicContact CB-CD2 3.81Å; K217-F243 HydrophobicContact CB-CE2 3.91Å; K217-F243 HydrophobicContact CG-CD2 3.91Å; K217-F243 HydrophobicContact CG-CE2 3.76Å; T219-F243 HydrophobicContact CG2-CB 3.68Å; T219-F243 HydrophobicContact CG2-CD2 4.48Å; T219-F243 HydrophobicContact CG2-CG 4.09Å; F243-S245 PolarHBondContact O-N 3.5Å; F243-Q246 HydrophobicContact CB-CB 4.17Å; F243-Q246 WeakPolarHBondContact O-CB 3.47Å; F243-Q246 PolarHBondContact O-N 2.97Å
244S93.4Very high97.4Very high67 Ų6724.6 Ų24.647%0.46914%0.138SC..THydrogen-bonded Turntrans-56.8136.2179.4-174.30000110.4T201 Q246T201-S244 PolarHBondContact OG1-O 2.86Å; S244-Q246 PolarHBondContact O-N 2.76Å
245S95.9Very high97.3Very high31 Ų3127 Ų2722%0.21715%0.15CC..THydrogen-bonded Turntrans50.121177.4-48.40000115.6F243 L247 Q248 V249 Y264F243-S245 PolarHBondContact O-N 3.5Å; S245-L247 VanDerWaalsContact C-N 3.31Å; S245-L247 PolarHBondContact O-N 2.82Å; S245-Q248 PolarHBondContact O-N 2.87Å; S245-V249 PolarHBondContact O-N 3Å; S245-V249 VanDerWaalsContact O-N 3.09Å; S245-Y264 WeakPolarHBondContact CB-OH 3.44Å; S245-Y264 WeakPolarHBondContact OG-CE2 3.34Å; S245-Y264 PolarHBondContact OG-OH 3.04Å
246Q97.4Very high97.3Very high7 Ų727.3 Ų27.33%0.03315%0.152CC..Hα-helixtrans-53.8-48.2-172.6178.6179.2-49.200111.8L190 T219 L220 S221 T241 F243 S244 V249 H250L190-Q246 HydrophobicContact CD1-CB 4.32Å; L190-Q246 HydrophobicContact CD1-CG 4.15Å; T219-Q246 HydrophobicContact CG2-CG 4.41Å; L220-Q246 PolarHBondContact O-NE2 3.22Å; L220-Q246 VanDerWaalsContact O-NE2 3.17Å; S221-Q246 PolarHBondContact OG-NE2 3.05Å; T241-Q246 PolarHBondContact O-OE1 3.33Å; T241-Q246 VanDerWaalsContact OG1-CD 3.23Å; T241-Q246 PolarHBondContact OG1-NE2 3.19Å; T241-Q246 PolarHBondContact OG1-OE1 3.33Å; F243-Q246 HydrophobicContact CB-CB 4.17Å; F243-Q246 WeakPolarHBondContact O-CB 3.47Å; F243-Q246 PolarHBondContact O-N 2.97Å; S244-Q246 PolarHBondContact O-N 2.76Å; Q246-V249 PolarHBondContact O-N 3.16Å; Q246-H250 VanDerWaalsContact O-CB 3.28Å; Q246-H250 WeakPolarHBondContact O-CB 3.48Å; Q246-H250 PolarHBondContact O-CD2 2.94Å; Q246-H250 VanDerWaalsContact O-CD2 3.22Å; Q246-H250 PolarHBondContact O-N 3.3Å
247L98.3Very high97.3Very high12 Ų1225.6 Ų25.66%0.06315%0.145CC..Hα-helixtrans-67-39.1-175.4-63.7-175.6000112.5Y171 S221 L237 P239 S245 H250 M251 L312Y171-L247 HydrophobicContact CD1-CD1 3.86Å; Y171-L247 HydrophobicContact CD2-CD1 3.57Å; Y171-L247 HydrophobicContact CE1-CD1 4.25Å; Y171-L247 HydrophobicContact CE2-CD1 4Å; Y171-L247 HydrophobicContact CG-CD1 3.51Å; S221-L247 WeakPolarHBondContact OG-CD2 3.48Å; L237-L247 HydrophobicContact CB-CD1 4.25Å; L237-L247 HydrophobicContact CB-CD2 4.05Å; L237-L247 HydrophobicContact CD1-CB 4.2Å; L237-L247 HydrophobicContact CD1-CD1 4.42Å; L237-L247 HydrophobicContact CD1-CD2 4.4Å; P239-L247 HydrophobicContact CB-CD2 4.05Å; P239-L247 HydrophobicContact CG-CD1 4.43Å; P239-L247 HydrophobicContact CG-CD2 4.35Å; S245-L247 VanDerWaalsContact C-N 3.31Å; S245-L247 PolarHBondContact O-N 2.82Å; L247-H250 PolarHBondContact O-N 2.78Å; L247-M251 WeakPolarHBondContact O-CB 3.45Å; L247-M251 WeakPolarHBondContact O-CG 3.27Å; L247-M251 PolarHBondContact O-N 2.93Å; L247-L312 HydrophobicContact CB-CD1 4.39Å; L247-L312 HydrophobicContact CB-CD2 4.06Å; L247-L312 HydrophobicContact CD1-CD1 4.02Å; L247-L312 HydrophobicContact CD1-CD2 4.38Å
248Q98.2Very high97.3Very high9 Ų925.6 Ų25.64%0.04215%0.145CC..Hα-helixtrans-61.7-50.9175.2-74.6170-95.500111S245 H250 M251 V252 D261 Y264 L310 L312S245-Q248 PolarHBondContact O-N 2.87Å; Q248-H250 PolarHBondContact O-N 3.29Å; Q248-M251 PolarHBondContact O-N 3.29Å; Q248-V252 PolarHBondContact O-N 2.97Å; Q248-D261 VanDerWaalsContact CB-OD2 3.31Å; Q248-D261 WeakPolarHBondContact CB-OD2 3.48Å; Q248-D261 WeakPolarHBondContact CG-OD2 3.25Å; Q248-D261 VanDerWaalsContact NE2-CG 3.28Å; Q248-D261 PolarHBondContact NE2-OD1 3.39Å; Q248-D261 VanDerWaalsContact NE2-OD1 3.15Å; Q248-D261 PolarHBondContact NE2-OD2 3.48Å; Q248-Y264 HydrophobicContact CB-CD2 3.79Å; Q248-Y264 HydrophobicContact CB-CE2 4.31Å; Q248-Y264 HydrophobicContact CG-CD2 4.49Å; Q248-L310 HydrophobicContact CG-CD1 4.39Å; Q248-L310 HydrophobicContact CG-CD2 4.18Å; Q248-L312 HydrophobicContact CG-CD2 4.36Å
249V98Very high97.3Very high1 Ų123.6 Ų23.61%0.00614%0.135CC..Hα-helixtrans-64.5-40.3179.1176.60000111.3L190 T201 S245 Q246 M251 V252 L253 Y264L190-V249 HydrophobicContact CD2-CG1 3.87Å; T201-V249 HydrophobicContact CG2-CG2 3.9Å; S245-V249 PolarHBondContact O-N 3Å; S245-V249 VanDerWaalsContact O-N 3.09Å; Q246-V249 PolarHBondContact O-N 3.16Å; V249-M251 VanDerWaalsContact C-N 3.31Å; V249-M251 PolarHBondContact O-N 3.34Å; V249-V252 WeakPolarHBondContact O-CB 3.45Å; V249-V252 PolarHBondContact O-N 3.42Å; V249-L253 HydrophobicContact CG1-CD1 4.46Å; V249-L253 WeakPolarHBondContact O-CG 3.24Å; V249-L253 PolarHBondContact O-N 3.12Å; V249-Y264 HydrophobicContact CG2-CD1 3.75Å; V249-Y264 HydrophobicContact CG2-CD2 4.48Å; V249-Y264 HydrophobicContact CG2-CE1 3.77Å; V249-Y264 HydrophobicContact CG2-CG 4.1Å
250H98.6Very high97.3Very high0 Ų022.6 Ų22.60%013%0.13CC..Hα-helixtrans-59.1-42.1175.2-79.6-162.2000112I186 T219 S221 Q246 L247 Q248 L253 Q254I186-H250 HydrophobicContact CB-CB 4.18Å; I186-H250 HydrophobicContact CD1-CB 3.99Å; I186-H250 HydrophobicContact CG2-CB 3.69Å; I186-H250 PolarHBondContact O-CE1 3.19Å; T219-H250 PolarHBondContact OG1-NE2 3.26Å; S221-H250 WeakPolarHBondContact CB-ND1 3.38Å; S221-H250 PolarHBondContact OG-CE1 3.42Å; S221-H250 PolarHBondContact OG-ND1 3.26Å; Q246-H250 VanDerWaalsContact O-CB 3.28Å; Q246-H250 WeakPolarHBondContact O-CB 3.48Å; Q246-H250 PolarHBondContact O-CD2 2.94Å; Q246-H250 VanDerWaalsContact O-CD2 3.22Å; Q246-H250 PolarHBondContact O-N 3.3Å; L247-H250 PolarHBondContact O-N 2.78Å; Q248-H250 PolarHBondContact O-N 3.29Å; H250-L253 WeakPolarHBondContact O-CB 3.48Å; H250-L253 PolarHBondContact O-N 3.12Å; H250-Q254 PolarHBondContact O-N 3.47Å
251M98.6Very high97.3Very high0 Ų022.3 Ų22.30%013%0.128CC..Hα-helixtrans-70.3-35.3177.8-74.4-45.1-42.400113.2T175 P179 I186 L237 L247 Q248 V249 L253 Q254 L255 C256 V258T175-M251 HydrophobicContact CG2-CE 3.63Å; T175-M251 HydrophobicContact CG2-CG 4.41Å; T175-M251 HydrophobicContact CG2-SD 4.43Å; P179-M251 HydrophobicContact CG-CE 3.94Å; I186-M251 HydrophobicContact CD1-SD 4.29Å; L237-M251 HydrophobicContact CD1-CG 3.99Å; L237-M251 HydrophobicContact CD1-SD 4.22Å; L237-M251 HydrophobicContact CD2-CG 4.48Å; L237-M251 HydrophobicContact CD2-SD 3.73Å; L247-M251 WeakPolarHBondContact O-CB 3.45Å; L247-M251 WeakPolarHBondContact O-CG 3.27Å; L247-M251 PolarHBondContact O-N 2.93Å; Q248-M251 PolarHBondContact O-N 3.29Å; V249-M251 VanDerWaalsContact C-N 3.31Å; V249-M251 PolarHBondContact O-N 3.34Å; M251-L253 VanDerWaalsContact C-N 3.33Å; M251-L253 PolarHBondContact O-N 3.18Å; M251-Q254 HydrophobicContact CE-CB 4.17Å; M251-Q254 CarbonylContact O-C 3.53Å; M251-Q254 PolarHBondContact O-N 2.88Å; M251-Q254 VanDerWaalsContact O-N 3.15Å; M251-L255 PolarHBondContact O-N 2.74Å; M251-C256 WeakPolarHBondContact CB-O 3.47Å; M251-C256 HydrophobicContact CE-CB 3.79Å; M251-C256 WeakPolarHBondContact CE-O 3.49Å; M251-C256 CarbonylContact O-C 3.59Å; M251-C256 VanDerWaalsContact O-C 3.32Å; M251-C256 PolarHBondContact O-N 3.39Å; M251-V258 HydrophobicContact CB-CG2 4.02Å; M251-V258 HydrophobicContact CG-CG2 3.98Å
252V98.2Very high97.2Very high3 Ų322.9 Ų22.92%0.01813%0.128CC..Hα-helixtrans-61-40.3169.2161.50000111.9Q248 V249 Q254 L255 P257 Y264 R267 V268 L277Q248-V252 PolarHBondContact O-N 2.97Å; V249-V252 WeakPolarHBondContact O-CB 3.45Å; V249-V252 PolarHBondContact O-N 3.42Å; V252-Q254 PolarHBondContact O-N 2.84Å; V252-L255 WeakPolarHBondContact O-CA 3.17Å; V252-L255 PolarHBondContact O-N 2.92Å; V252-P257 HydrophobicContact CG2-CB 3.93Å; V252-Y264 WeakPolarHBondContact CG2-O 3.44Å; V252-R267 HydrophobicContact CG1-CB 3.76Å; V252-V268 HydrophobicContact CB-CG2 4.37Å; V252-V268 HydrophobicContact CG1-CG2 3.95Å; V252-V268 HydrophobicContact CG2-CG2 4.39Å; V252-L277 HydrophobicContact CG1-CD1 3.59Å
253L97.6Very high97.3Very high48 Ų4820.8 Ų20.825%0.25112%0.116SC..Hα-helixtrans-65.7-23.1175.7-68.5174.8000112.9A188 P203 V249 H250 M251 L277A188-L253 HydrophobicContact CB-CD1 3.52Å; P203-L253 HydrophobicContact CB-CD1 4.5Å; P203-L253 HydrophobicContact CB-CD2 4.3Å; P203-L253 HydrophobicContact CG-CD2 4.22Å; V249-L253 HydrophobicContact CG1-CD1 4.46Å; V249-L253 WeakPolarHBondContact O-CG 3.24Å; V249-L253 PolarHBondContact O-N 3.12Å; H250-L253 WeakPolarHBondContact O-CB 3.48Å; H250-L253 PolarHBondContact O-N 3.12Å; M251-L253 VanDerWaalsContact C-N 3.33Å; M251-L253 PolarHBondContact O-N 3.18Å; L253-L277 HydrophobicContact CD2-CD2 3.78Å
254Q98.1Very high97.4Very high58 Ų5819.1 Ų19.127%0.27111%0.109SC..THydrogen-bonded Turntrans-86.39.8169.2-61.2-58.4-57.600112.7I186 H250 M251 V252 C256I186-Q254 HydrophobicContact CD1-CG 3.6Å; I186-Q254 HydrophobicContact CG1-CG 3.97Å; H250-Q254 PolarHBondContact O-N 3.47Å; M251-Q254 HydrophobicContact CE-CB 4.17Å; M251-Q254 CarbonylContact O-C 3.53Å; M251-Q254 PolarHBondContact O-N 2.88Å; M251-Q254 VanDerWaalsContact O-N 3.15Å; V252-Q254 PolarHBondContact O-N 2.84Å; Q254-C256 PolarHBondContact O-N 3.2Å; Q254-C256 VanDerWaalsContact O-N 3.1Å; Q254-C256 PolarHBondContact O-SG 2.85Å
255L98Very high97.5Very high52 Ų5216.4 Ų16.427%0.2729%0.09SC..THydrogen-bonded Turntrans58.817.5-175.3-53.1175.9000114.1M251 V252 P257 V268 R275 F276 L277M251-L255 PolarHBondContact O-N 2.74Å; V252-L255 WeakPolarHBondContact O-CA 3.17Å; V252-L255 PolarHBondContact O-N 2.92Å; L255-P257 WeakPolarHBondContact O-CD 3.38Å; L255-V268 HydrophobicContact CB-CG1 4.33Å; L255-V268 HydrophobicContact CD2-CG1 4.41Å; L255-R275 HydrophobicContact CB-CB 4.19Å; L255-R275 HydrophobicContact CD1-CB 4.33Å; L255-R275 WeakPolarHBondContact CD1-O 3.38Å; L255-R275 PolarHBondContact O-NE 3.47Å; L255-R275 PolarHBondContact O-NH2 2.92Å; L255-F276 VanDerWaalsContact CD2-C 3.49Å; L255-L277 HydrophobicContact CD2-CB 3.93Å
256C98.2Very high97.5Very high6 Ų615.3 Ų15.34%0.0418%0.082CC..  trans-12666.6-173.4-64.10000109.9T175 N176 I178 P179 M251 Q254T175-C256 WeakPolarHBondContact CB-O 3.38Å; T175-C256 WeakPolarHBondContact CG2-O 3.4Å; N176-C256 WeakPolarHBondContact O-CA 3.32Å; I178-C256 PolarHBondContact O-SG 3Å; P179-C256 HydrophobicContact CG-CB 4.26Å; P179-C256 VanDerWaalsContact N-SG 3.39Å; M251-C256 WeakPolarHBondContact CB-O 3.47Å; M251-C256 HydrophobicContact CE-CB 3.79Å; M251-C256 WeakPolarHBondContact CE-O 3.49Å; M251-C256 CarbonylContact O-C 3.59Å; M251-C256 VanDerWaalsContact O-C 3.32Å; M251-C256 PolarHBondContact O-N 3.39Å; Q254-C256 PolarHBondContact O-N 3.2Å; Q254-C256 VanDerWaalsContact O-N 3.1Å; Q254-C256 PolarHBondContact O-SG 2.85Å
257P98.4Very high97.4Very high2 Ų215.2 Ų15.21%0.0138%0.082CC..PPolyproline II helixtrans-58.3148.7-175.626.7-34.6000111.5T175 N176 V252 L255 V268T175-P257 WeakPolarHBondContact CA-O 3.41Å; N176-P257 HydrophobicContact CB-CG 4.5Å; N176-P257 PolarHBondContact N-O 2.89Å; N176-P257 WeakPolarHBondContact O-CD 3.47Å; V252-P257 HydrophobicContact CG2-CB 3.93Å; L255-P257 WeakPolarHBondContact O-CD 3.38Å; P257-V268 HydrophobicContact CG-CB 4.39Å; P257-V268 HydrophobicContact CG-CG2 4.3Å
258V98.6Very high97.4Very high0 Ų015.6 Ų15.60%08%0.084CC..BIsolated β-bridgetrans-63.3141.4176-176.70000109.5A173 V174 M251 D261 Q288 L310 H311 L312A173-V258 HydrophobicContact CB-CG1 4.45Å; A173-V258 HydrophobicContact CB-CG2 4.33Å; V174-V258 CarbonylContact O-C 3.47Å; V174-V258 WeakPolarHBondContact O-CA 3.36Å; M251-V258 HydrophobicContact CB-CG2 4.02Å; M251-V258 HydrophobicContact CG-CG2 3.98Å; V258-D261 HydrophobicContact CB-CB 4.33Å; V258-D261 WeakPolarHBondContact O-CB 3.39Å; V258-D261 PolarHBondContact O-N 3.11Å; V258-D261 VanDerWaalsContact O-N 3.15Å; V258-Q288 PolarHBondContact O-NE2 3.38Å; V258-L310 HydrophobicContact CB-CD1 3.96Å; V258-L310 HydrophobicContact CG1-CD1 3.64Å; V258-L310 HydrophobicContact CG1-CG 4.22Å; V258-H311 HydrophobicContact CG1-CB 4.38Å; V258-H311 VanDerWaalsContact CG1-O 3.23Å; V258-H311 WeakPolarHBondContact CG1-O 3.33Å; V258-L312 HydrophobicContact CG1-CB 4.28Å
259L98.4Very high97.1Very high0 Ų015.8 Ų15.80%09%0.089CC..THydrogen-bonded Turntrans-68133176.7-169.672000110V174 D261 L290 L294 L298 L308 H311 T342V174-L259 HydrophobicContact CB-CB 4.27Å; V174-L259 HydrophobicContact CG1-CB 4.22Å; V174-L259 HydrophobicContact CG1-CD2 4.07Å; V174-L259 WeakPolarHBondContact O-CB 3.4Å; V174-L259 PolarHBondContact O-N 3.02Å; L259-D261 VanDerWaalsContact C-N 3.32Å; L259-L290 HydrophobicContact CD1-CD1 3.89Å; L259-L290 HydrophobicContact CD1-CD2 3.73Å; L259-L290 HydrophobicContact CD1-CG 4.5Å; L259-L294 HydrophobicContact CD1-CD2 4.4Å; L259-L298 HydrophobicContact CD2-CD1 4.3Å; L259-L308 HydrophobicContact CD1-CD2 3.84Å; L259-L308 HydrophobicContact CD2-CD2 3.85Å; L259-L308 HydrophobicContact CG-CD2 3.49Å; L259-L308 VanDerWaalsContact CG-CD2 3.49Å; L259-H311 HydrophobicContact CB-CB 4.15Å; L259-H311 WeakPolarHBondContact O-CB 3.29Å; L259-H311 PolarHBondContact O-N 3.32Å; L259-H311 PolarHBondContact O-ND1 3.02Å; L259-T342 HydrophobicContact CD2-CG2 3.57Å
260G97.4Very high96.9Very high5 Ų519.5 Ų19.55%0.05211%0.112CC..THydrogen-bonded Turntrans79.77.4-169.900000114.5H262 L308 P309G260-H262 PolarHBondContact O-N 3.29Å; G260-L308 WeakPolarHBondContact CA-O 3.34Å; G260-P309 WeakPolarHBondContact CA-O 3.31Å
261D97.5Very high96.6Very high1 Ų123.6 Ų23.61%0.00514%0.137CC..  trans-77.687.9175.9-169.4-17.4000111.1Q248 V258 L259 T263 Y264 S265 L310Q248-D261 VanDerWaalsContact CB-OD2 3.31Å; Q248-D261 WeakPolarHBondContact CB-OD2 3.48Å; Q248-D261 WeakPolarHBondContact CG-OD2 3.25Å; Q248-D261 VanDerWaalsContact NE2-CG 3.28Å; Q248-D261 PolarHBondContact NE2-OD1 3.39Å; Q248-D261 VanDerWaalsContact NE2-OD1 3.15Å; Q248-D261 PolarHBondContact NE2-OD2 3.48Å; V258-D261 HydrophobicContact CB-CB 4.33Å; V258-D261 WeakPolarHBondContact O-CB 3.39Å; V258-D261 PolarHBondContact O-N 3.11Å; V258-D261 VanDerWaalsContact O-N 3.15Å; L259-D261 VanDerWaalsContact C-N 3.32Å; D261-T263 PolarHBondContact O-N 2.93Å; D261-T263 PolarHBondContact OD1-N 3.04Å; D261-Y264 PolarHBondContact OD1-N 2.76Å; D261-S265 WeakPolarHBondContact O-CB 3.48Å; D261-S265 PolarHBondContact O-N 3.38Å; D261-S265 PolarHBondContact O-OG 3.19Å; D261-L310 HydrophobicContact CB-CD1 3.77Å
262H95.8Very high96.2Very high47 Ų4731.8 Ų31.822%0.21818%0.179CC..THydrogen-bonded Turntrans-81.85.8177.9-56.1-27.1000113.7G260 Q286 Q288 A305 A306 L308G260-H262 PolarHBondContact O-N 3.29Å; H262-Q286 CarbonylContact C-O 3.55Å; H262-Q286 CarbonylContact O-C 3.57Å; H262-Q288 PolarHBondContact ND1-N 3.17Å; H262-Q288 VanDerWaalsContact ND1-N 3.19Å; H262-A305 PolarHBondContact CE1-O 3.46Å; H262-A306 PolarHBondContact NE2-O 2.93Å; H262-L308 PolarHBondContact NE2-N 3.42Å; H262-L308 PolarHBondContact NE2-O 3.2Å
263T94.6Very high95.6Very high47 Ų4734.6 Ų34.629%0.28821%0.209SC..THydrogen-bonded Turntrans-107.9-48.5-177.9-53.10000111.5L200 D261 P285L200-T263 HydrophobicContact CD2-CG2 3.59Å; D261-T263 PolarHBondContact O-N 2.93Å; D261-T263 PolarHBondContact OD1-N 3.04Å; T263-P285 HydrophobicContact CG2-CG 4.45Å
264Y96.1Very high95.4Very high6 Ų639.1 Ų39.12%0.02423%0.229CC..THydrogen-bonded Turntrans-112.4-17.1-170.6-56.6-78.6000113.9L200 T201 S245 Q248 V249 V252 D261 A266 R267L200-Y264 HydrophobicContact CD2-CE1 4.48Å; T201-Y264 PolarHBondContact N-OH 3.36Å; T201-Y264 VanDerWaalsContact N-OH 3.1Å; T201-Y264 VanDerWaalsContact O-CE1 3.29Å; T201-Y264 WeakPolarHBondContact O-CE1 3.44Å; S245-Y264 WeakPolarHBondContact CB-OH 3.44Å; S245-Y264 WeakPolarHBondContact OG-CE2 3.34Å; S245-Y264 PolarHBondContact OG-OH 3.04Å; Q248-Y264 HydrophobicContact CB-CD2 3.79Å; Q248-Y264 HydrophobicContact CB-CE2 4.31Å; Q248-Y264 HydrophobicContact CG-CD2 4.49Å; V249-Y264 HydrophobicContact CG2-CD1 3.75Å; V249-Y264 HydrophobicContact CG2-CD2 4.48Å; V249-Y264 HydrophobicContact CG2-CE1 3.77Å; V249-Y264 HydrophobicContact CG2-CG 4.1Å; V252-Y264 WeakPolarHBondContact CG2-O 3.44Å; D261-Y264 PolarHBondContact OD1-N 2.76Å; Y264-A266 PolarHBondContact O-N 3.09Å; Y264-A266 VanDerWaalsContact O-N 3.15Å; Y264-R267 WeakPolarHBondContact O-CB 3.41Å; Y264-R267 PolarHBondContact O-N 2.87Å
265S96.6Very high95.2Very high10 Ų1039.9 Ų39.97%0.0723%0.229CC..G310 helixtrans-59.8-29.4-177.664.90000113.7D261 R267 V268 Q288D261-S265 WeakPolarHBondContact O-CB 3.48Å; D261-S265 PolarHBondContact O-N 3.38Å; D261-S265 PolarHBondContact O-OG 3.19Å; S265-R267 PolarHBondContact O-N 3.12Å; S265-V268 PolarHBondContact O-N 3.44Å; S265-Q288 WeakPolarHBondContact OG-CB 3.42Å; S265-Q288 WeakPolarHBondContact OG-CG 3.48Å
266A95Very high95.1Very high8 Ų841.3 Ų41.37%0.06623%0.233CC..G310 helixtrans-51-26.1173.600000114Y264 V268 L278 T283 K284 Q286Y264-A266 PolarHBondContact O-N 3.09Å; Y264-A266 VanDerWaalsContact O-N 3.15Å; A266-V268 PolarHBondContact O-N 2.87Å; A266-L278 WeakPolarHBondContact O-CD1 3.28Å; A266-T283 HydrophobicContact CB-CG2 3.64Å; A266-T283 WeakPolarHBondContact O-CG2 3.46Å; A266-K284 WeakPolarHBondContact CB-O 3.11Å; A266-Q286 HydrophobicContact CB-CG 3.32Å
267R95.8Very high95Very high5 Ų544.6 Ų44.62%0.01925%0.25CS..G310 helixtrans-77.1-2.1-179.6-62.6178-177.2172.42.4113.2T201 V252 Y264 S265 L277 L278 T283T201-R267 PolarHBondContact O-NH1 3.31Å; T201-R267 PolarHBondContact O-NH2 3.25Å; V252-R267 HydrophobicContact CG1-CB 3.76Å; Y264-R267 WeakPolarHBondContact O-CB 3.41Å; Y264-R267 PolarHBondContact O-N 2.87Å; S265-R267 PolarHBondContact O-N 3.12Å; R267-L277 HydrophobicContact CB-CD1 4.37Å; R267-L277 CarbonylContact O-C 3.49Å; R267-L277 WeakPolarHBondContact O-CA 3.48Å; R267-L277 WeakPolarHBondContact O-CD1 3.19Å; R267-L278 PolarHBondContact O-N 3.27Å; R267-T283 HydrophobicContact CB-CG2 4.45Å; R267-T283 HydrophobicContact CG-CG2 3.77Å
268V96.8Very high94.8Very high19 Ų1947.4 Ų47.412%0.11527%0.265CS..EExtended strand (participates in β ladder)trans-111.5106.9174.4-176.60000108.9V252 L255 P257 S265 A266 R275 F276V252-V268 HydrophobicContact CB-CG2 4.37Å; V252-V268 HydrophobicContact CG1-CG2 3.95Å; V252-V268 HydrophobicContact CG2-CG2 4.39Å; L255-V268 HydrophobicContact CB-CG1 4.33Å; L255-V268 HydrophobicContact CD2-CG1 4.41Å; P257-V268 HydrophobicContact CG-CB 4.39Å; P257-V268 HydrophobicContact CG-CG2 4.3Å; S265-V268 PolarHBondContact O-N 3.44Å; A266-V268 PolarHBondContact O-N 2.87Å; V268-R275 HydrophobicContact CG1-CB 4.26Å; V268-F276 WeakPolarHBondContact CA-O 3.31Å
269G93.6Very high94.4Very high13 Ų1350.8 Ų50.813%0.13429%0.287CS..EExtended strand (participates in β ladder)trans-91161.3174.500000111.7R275 F276G269-R275 VanDerWaalsContact O-CA 3.29Å; G269-R275 WeakPolarHBondContact O-CA 3.05Å; G269-F276 PolarHBondContact N-O 3.18Å; G269-F276 PolarHBondContact O-N 3.25Å
270T92.6Very high93.9Very high80 Ų8051.1 Ų51.149%0.49129%0.29SS..EExtended strand (participates in β ladder)trans-131127.8172.2-56.90000109.8Q274T270-Q274 CarbonylContact C-O 3.57Å; T270-Q274 VanDerWaalsContact CA-O 3.31Å; T270-Q274 WeakPolarHBondContact CA-O 3.38Å
271V92.1Very high93.2Very high86 Ų8656.8 Ų56.852%0.52132%0.315SS..EExtended strand (participates in β ladder)trans-130.2124.1174.7166.20000107.3G273 Q274 F276V271-G273 PolarHBondContact O-N 3.02Å; V271-G273 VanDerWaalsContact O-N 3.16Å; V271-Q274 PolarHBondContact N-O 3Å; V271-Q274 WeakPolarHBondContact O-CB 3.43Å; V271-Q274 PolarHBondContact O-N 3.22Å; V271-F276 HydrophobicContact CB-CE1 3.83Å; V271-F276 HydrophobicContact CG2-CE1 3.47Å; V271-F276 VanDerWaalsContact CG2-CE1 3.47Å; V271-F276 HydrophobicContact CG2-CZ 3.78Å
272L90.2Very high92.5Very high172 Ų17261 Ų6190%0.90134%0.344SS*.THydrogen-bonded Turntrans51.238.4-178-55.5176.5000113.3Q274L272-Q274 PolarHBondContact O-N 3.15Å
273G86.6Confident92.1Very high62 Ų6259.4 Ų59.464%0.63934%0.338SS*.THydrogen-bonded Turntrans77.1-5.3-177.700000115.3V271V271-G273 PolarHBondContact O-N 3.02Å; V271-G273 VanDerWaalsContact O-N 3.16Å
274Q92.4Very high91.7Very high143 Ų14363.3 Ų63.367%0.66835%0.351SS*.EExtended strand (participates in β ladder)trans-91.6128.4176.4-62.7-60.2-36.100110.8T270 V271 L272T270-Q274 CarbonylContact C-O 3.57Å; T270-Q274 VanDerWaalsContact CA-O 3.31Å; T270-Q274 WeakPolarHBondContact CA-O 3.38Å; V271-Q274 PolarHBondContact N-O 3Å; V271-Q274 WeakPolarHBondContact O-CB 3.43Å; V271-Q274 PolarHBondContact O-N 3.22Å; L272-Q274 PolarHBondContact O-N 3.15Å
275R94.9Very high91.4Very high73 Ų7365.7 Ų65.728%0.27537%0.367SS..EExtended strand (participates in β ladder)trans-87.7142.6179.3-58.6176.878.798.3-4.1110.1N176 L255 V268 G269N176-R275 PolarHBondContact O-NH2 2.93Å; N176-R275 PolarHBondContact OD1-NH1 3.14Å; L255-R275 HydrophobicContact CB-CB 4.19Å; L255-R275 HydrophobicContact CD1-CB 4.33Å; L255-R275 WeakPolarHBondContact CD1-O 3.38Å; L255-R275 PolarHBondContact O-NE 3.47Å; L255-R275 PolarHBondContact O-NH2 2.92Å; V268-R275 HydrophobicContact CG1-CB 4.26Å; G269-R275 VanDerWaalsContact O-CA 3.29Å; G269-R275 WeakPolarHBondContact O-CA 3.05Å
276F95.9Very high91.2Very high82 Ų8270.4 Ų70.436%0.3639%0.388SS..EExtended strand (participates in β ladder)trans-149.1159.9176.961.7-80.2000111.3L255 V268 G269 V271 L278L255-F276 VanDerWaalsContact CD2-C 3.49Å; V268-F276 WeakPolarHBondContact CA-O 3.31Å; G269-F276 PolarHBondContact N-O 3.18Å; G269-F276 PolarHBondContact O-N 3.25Å; V271-F276 HydrophobicContact CB-CE1 3.83Å; V271-F276 HydrophobicContact CG2-CE1 3.47Å; V271-F276 VanDerWaalsContact CG2-CE1 3.47Å; V271-F276 HydrophobicContact CG2-CZ 3.78Å; F276-L278 HydrophobicContact CD2-CD2 4.21Å; F276-L278 HydrophobicContact CE2-CD2 3.48Å; F276-L278 VanDerWaalsContact CE2-CD2 3.48Å; F276-L278 HydrophobicContact CE2-CG 4.16Å; F276-L278 HydrophobicContact CZ-CD2 4.28Å
277L96.2Very high91.1Very high76 Ų7677.4 Ų77.440%0.39841%0.412SS..EExtended strand (participates in β ladder)trans-89.2125.2-178.2-171.572.5000110V252 L253 L255 R267V252-L277 HydrophobicContact CG1-CD1 3.59Å; L253-L277 HydrophobicContact CD2-CD2 3.78Å; L255-L277 HydrophobicContact CD2-CB 3.93Å; R267-L277 HydrophobicContact CB-CD1 4.37Å; R267-L277 CarbonylContact O-C 3.49Å; R267-L277 WeakPolarHBondContact O-CA 3.48Å; R267-L277 WeakPolarHBondContact O-CD1 3.19Å
278L94.4Very high91.1Very high60 Ų6077.5 Ų77.531%0.31441%0.413SS..PPolyproline II helixtrans-85.1147.6171.1-65.4169.8000110.5A266 R267 F276 T283A266-L278 WeakPolarHBondContact O-CD1 3.28Å; R267-L278 PolarHBondContact O-N 3.27Å; F276-L278 HydrophobicContact CD2-CD2 4.21Å; F276-L278 HydrophobicContact CE2-CD2 3.48Å; F276-L278 VanDerWaalsContact CE2-CD2 3.48Å; F276-L278 HydrophobicContact CE2-CG 4.16Å; F276-L278 HydrophobicContact CZ-CD2 4.28Å; L278-T283 WeakPolarHBondContact CB-OG1 3.29Å
279P90.2Very high90.9Very high72 Ų7282.3 Ų82.347%0.46844%0.443SS..PPolyproline II helixtrans-59.2138.7178.2-19.931.4000111.7E281 S282 T283P279-E281 WeakPolarHBondContact CB-OE2 3.49Å; P279-E281 PolarHBondContact O-N 3.26Å; P279-S282 PolarHBondContact O-N 2.81Å; P279-S282 PolarHBondContact O-OG 3.02Å; P279-T283 VanDerWaalsContact O-CB 3.3Å; P279-T283 WeakPolarHBondContact O-CB 3.38Å; P279-T283 PolarHBondContact O-N 3.15Å; P279-T283 PolarHBondContact O-OG1 3.48Å
280A87.3Confident91Very high7 Ų782.3 Ų82.36%0.05844%0.439CS..THydrogen-bonded Turntrans-70.3-27.3-175.100000112.2V202V202-A280 HydrophobicContact CB-CB 3.99Å; V202-A280 HydrophobicContact CG1-CB 3.91Å
281E81.8Confident91Very high123 Ų12382.6 Ų82.658%0.57544%0.438SS*.THydrogen-bonded Turntrans-74.7-31.3-176.4-53.876.4-167.700111.9P279P279-E281 WeakPolarHBondContact CB-OE2 3.49Å; P279-E281 PolarHBondContact O-N 3.26Å
282S82.9Confident91.2Very high89 Ų8984 Ų8462%0.62244%0.439SS*.THydrogen-bonded Turntrans-100.9-4.518060.80000113.7P279P279-S282 PolarHBondContact O-N 2.81Å; P279-S282 PolarHBondContact O-OG 3.02Å
283T87.4Confident91.4Very high15 Ų1579.2 Ų79.29%0.09242%0.424CS..  trans-106.7108.5-176.3-53.40000111.5A266 R267 L278 P279A266-T283 HydrophobicContact CB-CG2 3.64Å; A266-T283 WeakPolarHBondContact O-CG2 3.46Å; R267-T283 HydrophobicContact CB-CG2 4.45Å; R267-T283 HydrophobicContact CG-CG2 3.77Å; L278-T283 WeakPolarHBondContact CB-OG1 3.29Å; P279-T283 VanDerWaalsContact O-CB 3.3Å; P279-T283 WeakPolarHBondContact O-CB 3.38Å; P279-T283 PolarHBondContact O-N 3.15Å; P279-T283 PolarHBondContact O-OG1 3.48Å
284K87.2Confident91.9Very high129 Ų12976.6 Ų76.656%0.56140%0.395SS*.  trans-78.2150176.4-56.4-169.2-176.2-151.80111.7D196 A266 Q286D196-K284 VanDerWaalsContact OD2-CD 3.3Å; D196-K284 WeakPolarHBondContact OD2-CD 3.32Å; D196-K284 WeakPolarHBondContact OD2-CE 3.43Å; D196-K284 IonicContact OD2-NZ 3.66Å; D196-K284 PolarHBondContact OD2-NZ 3.36Å; A266-K284 WeakPolarHBondContact CB-O 3.11Å; K284-Q286 PolarHBondContact O-N 2.57Å
285P90.3Very high92.1Very high55 Ų5570.2 Ų70.236%0.35737%0.365SS..  trans-54.4130.3167.6-26.636.4000111.2L200 T263L200-P285 HydrophobicContact CD1-CG 3.58Å; L200-P285 HydrophobicContact CD2-CG 3.82Å; L200-P285 HydrophobicContact CG-CG 4.32Å; T263-P285 HydrophobicContact CG2-CG 4.45Å
286Q90.9Very high92.2Very high109 Ų10975.6 Ų75.651%0.50939%0.386SS..  trans-145.9154.8174.852.3173.8-7.300109.7H262 A266 K284 Q288H262-Q286 CarbonylContact C-O 3.55Å; H262-Q286 CarbonylContact O-C 3.57Å; A266-Q286 HydrophobicContact CB-CG 3.32Å; K284-Q286 PolarHBondContact O-N 2.57Å; Q286-Q288 PolarHBondContact O-N 2.97Å
287R93.8Very high92.2Very high155 Ų15577.6 Ų77.659%0.58539%0.391SS*.PPolyproline II helixtrans-51.9136.2174.5-78.1157.2171.3-126.79109.5V289 A306R287-V289 PolarHBondContact O-N 3.41Å; R287-A306 HydrophobicContact CB-CB 4.08Å; R287-A306 HydrophobicContact CG-CB 3.97Å; R287-A306 VanDerWaalsContact NH1-CB 3.26Å
288Q95.9Very high92.2Very high8 Ų874 Ų744%0.03737%0.372CS..PPolyproline II helixtrans-66.6124.1-178.4-175.4176.446.800109V258 H262 S265 Q286 L290V258-Q288 PolarHBondContact O-NE2 3.38Å; H262-Q288 PolarHBondContact ND1-N 3.17Å; H262-Q288 VanDerWaalsContact ND1-N 3.19Å; S265-Q288 WeakPolarHBondContact OG-CB 3.42Å; S265-Q288 WeakPolarHBondContact OG-CG 3.48Å; Q286-Q288 PolarHBondContact O-N 2.97Å; Q288-L290 HydrophobicContact CG-CD2 3.84Å
289V92.9Very high92.2Very high120 Ų12075.6 Ų75.673%0.72738%0.378SS*.PPolyproline II helixtrans-90.9126173.5-175.70000108.4R287R287-V289 PolarHBondContact O-N 3.41Å
290L95.1Very high92.4Very high12 Ų1272.8 Ų72.86%0.06336%0.359CS..  trans-105.9147.1174.4-54.4-176.3000108.5L259 Q288 L294 L295 L298 A305 L308L259-L290 HydrophobicContact CD1-CD1 3.89Å; L259-L290 HydrophobicContact CD1-CD2 3.73Å; L259-L290 HydrophobicContact CD1-CG 4.5Å; Q288-L290 HydrophobicContact CG-CD2 3.84Å; L290-L294 HydrophobicContact CB-CD2 4.22Å; L290-L294 HydrophobicContact CB-CG 4.49Å; L290-L294 HydrophobicContact CD1-CD2 4.25Å; L290-L294 HydrophobicContact CD1-CG 4.41Å; L290-L294 HydrophobicContact CD2-CD2 3.96Å; L290-L294 HydrophobicContact CG-CD2 4.36Å; L290-L295 HydrophobicContact CB-CD2 4.06Å; L290-L295 HydrophobicContact CB-CG 4.12Å; L290-L295 HydrophobicContact CD1-CD2 4.28Å; L290-L298 HydrophobicContact CD1-CD1 3.97Å; L290-A305 HydrophobicContact CD1-CB 4.04Å; L290-A305 HydrophobicContact CG-CB 4.47Å; L290-L308 HydrophobicContact CD1-CD2 4.31Å
291D93.6Very high92.7Very high86 Ų8675.4 Ų75.446%0.4637%0.374SS..  trans-69.6160.217465.856.1000111.7A293 L294 L295D291-A293 PolarHBondContact O-N 3.19Å; D291-A293 WeakPolarHBondContact OD1-CB 3.28Å; D291-A293 PolarHBondContact OD1-N 3.4Å; D291-A293 VanDerWaalsContact OD1-N 3.09Å; D291-L294 PolarHBondContact O-N 3.28Å; D291-L294 WeakPolarHBondContact OD1-CB 3.41Å; D291-L294 PolarHBondContact OD1-N 3.37Å; D291-L295 WeakPolarHBondContact O-CG 3.36Å; D291-L295 PolarHBondContact O-N 3.33Å
292E94.9Very high93.3Very high116 Ų11673.7 Ų73.754%0.54237%0.374SS..Hα-helixtrans-59.4-33.4-178.1-74-63.1148.900113.1R296E292-R296 WeakPolarHBondContact O-CB 3.19Å; E292-R296 VanDerWaalsContact O-CG 3.23Å; E292-R296 WeakPolarHBondContact O-CG 3.32Å; E292-R296 PolarHBondContact O-N 2.83Å
293A95.3Very high93.7Very high71 Ų7173.1 Ų73.159%0.58737%0.369SS*.Hα-helixtrans-68.3-42.8179.600000110.9D291 R296 R297D291-A293 PolarHBondContact O-N 3.19Å; D291-A293 WeakPolarHBondContact OD1-CB 3.28Å; D291-A293 PolarHBondContact OD1-N 3.4Å; D291-A293 VanDerWaalsContact OD1-N 3.09Å; A293-R296 PolarHBondContact O-N 2.82Å; A293-R297 WeakPolarHBondContact O-CB 3.43Å; A293-R297 PolarHBondContact O-N 3.4Å
294L96.3Very high94Very high7 Ų773.5 Ų73.54%0.03737%0.37CS..Hα-helixtrans-68.9-40.6177.2-175.855.6000111.7L259 L290 D291 R297 L298 L346L259-L294 HydrophobicContact CD1-CD2 4.4Å; L290-L294 HydrophobicContact CB-CD2 4.22Å; L290-L294 HydrophobicContact CB-CG 4.49Å; L290-L294 HydrophobicContact CD1-CD2 4.25Å; L290-L294 HydrophobicContact CD1-CG 4.41Å; L290-L294 HydrophobicContact CD2-CD2 3.96Å; L290-L294 HydrophobicContact CG-CD2 4.36Å; D291-L294 PolarHBondContact O-N 3.28Å; D291-L294 WeakPolarHBondContact OD1-CB 3.41Å; D291-L294 PolarHBondContact OD1-N 3.37Å; L294-R297 PolarHBondContact O-N 3.17Å; L294-L298 HydrophobicContact CD1-CD1 3.98Å; L294-L298 HydrophobicContact CD1-CG 4.06Å; L294-L298 HydrophobicContact CG-CD1 3.98Å; L294-L298 HydrophobicContact CG-CG 4.46Å; L294-L298 WeakPolarHBondContact O-CB 3.42Å; L294-L298 WeakPolarHBondContact O-CG 3.38Å; L294-L298 PolarHBondContact O-N 3.5Å; L294-L346 HydrophobicContact CD1-CD2 3.55Å
295L96.7Very high94.3Very high9 Ų967.5 Ų67.55%0.04735%0.345CS..Hα-helixtrans-58.2-48.1173.5-72.9176000111.9L290 D291 R297 L298 H299 L300 P302 A305L290-L295 HydrophobicContact CB-CD2 4.06Å; L290-L295 HydrophobicContact CB-CG 4.12Å; L290-L295 HydrophobicContact CD1-CD2 4.28Å; D291-L295 WeakPolarHBondContact O-CG 3.36Å; D291-L295 PolarHBondContact O-N 3.33Å; L295-R297 VanDerWaalsContact C-N 3.31Å; L295-R297 PolarHBondContact O-N 3.1Å; L295-L298 PolarHBondContact O-N 3.47Å; L295-H299 PolarHBondContact O-N 2.85Å; L295-L300 HydrophobicContact CD2-CB 4.32Å; L295-L300 PolarHBondContact O-N 3.44Å; L295-L300 VanDerWaalsContact O-N 3.07Å; L295-P302 HydrophobicContact CD1-CG 3.96Å; L295-A305 HydrophobicContact CD2-CB 3.48Å; L295-A305 VanDerWaalsContact CD2-CB 3.48Å
296R96.6Very high94.4Very high187 Ų18765.5 Ų65.571%0.70633%0.333SS*.Hα-helixtrans-59.4-41.7175.8-73.2173.9-169.7-169.62.5111.8E292 A293 H299E292-R296 WeakPolarHBondContact O-CB 3.19Å; E292-R296 VanDerWaalsContact O-CG 3.23Å; E292-R296 WeakPolarHBondContact O-CG 3.32Å; E292-R296 PolarHBondContact O-N 2.83Å; A293-R296 PolarHBondContact O-N 2.82Å; R296-H299 PolarHBondContact O-N 3.2Å; R296-H299 PolarHBondContact O-ND1 2.75Å
297R96.4Very high94.5Very high124 Ų12466.2 Ų66.247%0.46834%0.336SS..Hα-helixtrans-66.6-37.6179.1-171.161.1151.6179.41.4113S230 A293 L294 L295 H299 C345 L346S230-R297 PolarHBondContact OG-NE 2.97Å; S230-R297 PolarHBondContact OG-NH2 3.15Å; A293-R297 WeakPolarHBondContact O-CB 3.43Å; A293-R297 PolarHBondContact O-N 3.4Å; L294-R297 PolarHBondContact O-N 3.17Å; L295-R297 VanDerWaalsContact C-N 3.31Å; L295-R297 PolarHBondContact O-N 3.1Å; R297-H299 VanDerWaalsContact C-N 3.28Å; R297-C345 VanDerWaalsContact CD-O 3.27Å; R297-C345 WeakPolarHBondContact CD-O 3.33Å; R297-C345 WeakPolarHBondContact CG-O 3.47Å; R297-C345 PolarHBondContact NE-O 3.41Å; R297-C345 VanDerWaalsContact NE-O 3.1Å; R297-C345 WeakPolarHBondContact O-CB 3.25Å; R297-L346 HydrophobicContact CG-CD2 3.92Å
298L95.6Very high94.5Very high0 Ų059 Ų590%031%0.309CS..Hα-helixtrans-82-8177.8-65.8174.9000113.2L259 L290 L294 L295 L300 R341 T342 C345 L346L259-L298 HydrophobicContact CD2-CD1 4.3Å; L290-L298 HydrophobicContact CD1-CD1 3.97Å; L294-L298 HydrophobicContact CD1-CD1 3.98Å; L294-L298 HydrophobicContact CD1-CG 4.06Å; L294-L298 HydrophobicContact CG-CD1 3.98Å; L294-L298 HydrophobicContact CG-CG 4.46Å; L294-L298 WeakPolarHBondContact O-CB 3.42Å; L294-L298 WeakPolarHBondContact O-CG 3.38Å; L294-L298 PolarHBondContact O-N 3.5Å; L295-L298 PolarHBondContact O-N 3.47Å; L298-L300 VanDerWaalsContact C-N 3.32Å; L298-L300 HydrophobicContact CB-CB 4.4Å; L298-L300 HydrophobicContact CB-CD1 3.83Å; L298-L300 HydrophobicContact CB-CG 3.85Å; L298-L300 HydrophobicContact CD1-CD1 4.14Å; L298-R341 PolarHBondContact O-NH1 3.27Å; L298-R341 PolarHBondContact O-NH2 3.23Å; L298-T342 HydrophobicContact CD2-CG2 3.98Å; L298-C345 HydrophobicContact CD2-CB 4.02Å; L298-L346 HydrophobicContact CD2-CD1 4.23Å; L298-L346 HydrophobicContact CD2-CD2 3.84Å; L298-L346 HydrophobicContact CD2-CG 3.88Å; L298-L346 HydrophobicContact CG-CD2 4.38Å
299H95.3Very high94.5Very high93 Ų9358.9 Ų58.943%0.43131%0.309SS..THydrogen-bonded Turntrans52.550.3-171-51.8-66.1000111.4S54 L295 R296 R297S54-H299 PolarHBondContact O-CD2 3.38Å; L295-H299 PolarHBondContact O-N 2.85Å; R296-H299 PolarHBondContact O-N 3.2Å; R296-H299 PolarHBondContact O-ND1 2.75Å; R297-H299 VanDerWaalsContact C-N 3.28Å
300L94.8Very high94.7Very high14 Ų1453.3 Ų53.37%0.07328%0.275CS..  trans-123.2143.8179.9-63.6177.7000110.8L57 F62 L295 L298 Q304 L308L57-L300 HydrophobicContact CB-CD2 4.39Å; F62-L300 HydrophobicContact CE1-CD1 4.48Å; F62-L300 HydrophobicContact CE1-CD2 4.06Å; F62-L300 HydrophobicContact CZ-CD1 4.24Å; F62-L300 HydrophobicContact CZ-CD2 3.92Å; L295-L300 HydrophobicContact CD2-CB 4.32Å; L295-L300 PolarHBondContact O-N 3.44Å; L295-L300 VanDerWaalsContact O-N 3.07Å; L298-L300 VanDerWaalsContact C-N 3.32Å; L298-L300 HydrophobicContact CB-CB 4.4Å; L298-L300 HydrophobicContact CB-CD1 3.83Å; L298-L300 HydrophobicContact CB-CG 3.85Å; L298-L300 HydrophobicContact CD1-CD1 4.14Å; L300-Q304 HydrophobicContact CB-CB 4.37Å; L300-Q304 HydrophobicContact CD2-CB 4.08Å; L300-L308 HydrophobicContact CD1-CD1 3.88Å
301T94.1Very high94.9Very high62 Ų6252.7 Ų52.738%0.3827%0.272SS..  trans-78.8162.7163.767.50000110.6S303 Q304 A305T301-S303 PolarHBondContact O-N 3.03Å; T301-S303 PolarHBondContact OG1-OG 2.89Å; T301-Q304 PolarHBondContact O-N 3.17Å; T301-Q304 VanDerWaalsContact OG1-CG 3.32Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.36Å; T301-Q304 PolarHBondContact OG1-N 2.99Å; T301-Q304 PolarHBondContact OG1-OE1 2.98Å; T301-A305 PolarHBondContact O-N 3.4Å
302P92.9Very high95.1Very high87 Ų8748.8 Ų48.857%0.56525%0.251SS*.Hα-helixtrans-55.7-36.7172.4-26.834.6000113.4L295 A305 A306L295-P302 HydrophobicContact CD1-CG 3.96Å; P302-A305 PolarHBondContact O-N 3.22Å; P302-A306 WeakPolarHBondContact O-CB 3.5Å; P302-A306 PolarHBondContact O-N 2.85Å; P302-A306 VanDerWaalsContact O-N 3.12Å
303S92.3Very high95.3Very high76 Ų7643.3 Ų43.353%0.53123%0.226SC..Hα-helixtrans-67.7-37.5178.958.10000112.6T301T301-S303 PolarHBondContact O-N 3.03Å; T301-S303 PolarHBondContact OG1-OG 2.89Å
304Q93.1Very high95.5Very high23 Ų2339.9 Ų39.911%0.10720%0.198CC..Hα-helixtrans-72.5-40.8175-69.4170.9-33.800112.2L57 G58 L300 T301 A306 Q307 L308L57-Q304 PolarHBondContact O-NE2 2.98Å; G58-Q304 PolarHBondContact O-NE2 3.26Å; L300-Q304 HydrophobicContact CB-CB 4.37Å; L300-Q304 HydrophobicContact CD2-CB 4.08Å; T301-Q304 PolarHBondContact O-N 3.17Å; T301-Q304 VanDerWaalsContact OG1-CG 3.32Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.36Å; T301-Q304 PolarHBondContact OG1-N 2.99Å; T301-Q304 PolarHBondContact OG1-OE1 2.98Å; Q304-A306 PolarHBondContact O-N 3.45Å; Q304-Q307 CarbonylContact O-C 3.59Å; Q304-Q307 WeakPolarHBondContact O-CA 3.29Å; Q304-Q307 PolarHBondContact O-N 2.92Å; Q304-L308 PolarHBondContact O-N 2.74Å
305A93.5Very high95.5Very high3 Ų341.1 Ų41.13%0.02520%0.203CC..Hα-helixtrans-60.4-31.6175.900000112.3H262 L290 L295 T301 P302 Q307 L308H262-A305 PolarHBondContact CE1-O 3.46Å; L290-A305 HydrophobicContact CD1-CB 4.04Å; L290-A305 HydrophobicContact CG-CB 4.47Å; L295-A305 HydrophobicContact CD2-CB 3.48Å; L295-A305 VanDerWaalsContact CD2-CB 3.48Å; T301-A305 PolarHBondContact O-N 3.4Å; P302-A305 PolarHBondContact O-N 3.22Å; A305-Q307 PolarHBondContact O-N 3.09Å; A305-L308 WeakPolarHBondContact O-CB 3.45Å; A305-L308 PolarHBondContact O-N 3.22Å
306A92.4Very high95.6Very high14 Ų1443.5 Ų43.512%0.11621%0.212CC..THydrogen-bonded Turntrans-73.1-3.8174.100000115H262 R287 P302 Q304H262-A306 PolarHBondContact NE2-O 2.93Å; R287-A306 HydrophobicContact CB-CB 4.08Å; R287-A306 HydrophobicContact CG-CB 3.97Å; R287-A306 VanDerWaalsContact NH1-CB 3.26Å; P302-A306 WeakPolarHBondContact O-CB 3.5Å; P302-A306 PolarHBondContact O-N 2.85Å; P302-A306 VanDerWaalsContact O-N 3.12Å; Q304-A306 PolarHBondContact O-N 3.45Å
307Q92.2Very high95.7Very high123 Ų12334.7 Ų34.758%0.57518%0.178SC*.THydrogen-bonded Turntrans-11610.3172.7-56.9-176.117.700111.8F62 Q304 A305F62-Q307 HydrophobicContact CE2-CB 4.39Å; Q304-Q307 CarbonylContact O-C 3.59Å; Q304-Q307 WeakPolarHBondContact O-CA 3.29Å; Q304-Q307 PolarHBondContact O-N 2.92Å; A305-Q307 PolarHBondContact O-N 3.09Å
308L94.5Very high95.7Very high3 Ų330.4 Ų30.42%0.01617%0.165CC..PPolyproline II helixtrans-65.7127.1-173.6-169.265.7000110.1F62 L259 G260 H262 L290 L300 Q304 A305F62-L308 HydrophobicContact CD1-CD1 4.27Å; F62-L308 HydrophobicContact CE1-CD1 3.47Å; F62-L308 VanDerWaalsContact CE1-CD1 3.47Å; F62-L308 HydrophobicContact CE2-CD1 4.22Å; F62-L308 HydrophobicContact CZ-CB 4.47Å; F62-L308 HydrophobicContact CZ-CD1 3.44Å; F62-L308 VanDerWaalsContact CZ-CD1 3.44Å; L259-L308 HydrophobicContact CD1-CD2 3.84Å; L259-L308 HydrophobicContact CD2-CD2 3.85Å; L259-L308 HydrophobicContact CG-CD2 3.49Å; L259-L308 VanDerWaalsContact CG-CD2 3.49Å; G260-L308 WeakPolarHBondContact CA-O 3.34Å; H262-L308 PolarHBondContact NE2-N 3.42Å; H262-L308 PolarHBondContact NE2-O 3.2Å; L290-L308 HydrophobicContact CD1-CD2 4.31Å; L300-L308 HydrophobicContact CD1-CD1 3.88Å; Q304-L308 PolarHBondContact O-N 2.74Å; A305-L308 WeakPolarHBondContact O-CB 3.45Å; A305-L308 PolarHBondContact O-N 3.22Å
309P96.2Very high95.6Very high6 Ų630.6 Ų30.64%0.03917%0.166CC..PPolyproline II helixtrans-60.8154176.6-2435.5000111.2F62 L65 G260 H311 Y338F62-P309 HydrophobicContact CB-CG 3.64Å; F62-P309 HydrophobicContact CD1-CG 4.48Å; F62-P309 HydrophobicContact CD2-CG 4.1Å; F62-P309 HydrophobicContact CG-CG 3.83Å; L65-P309 HydrophobicContact CD1-CG 3.93Å; L65-P309 HydrophobicContact CD2-CB 4.03Å; L65-P309 HydrophobicContact CD2-CG 3.88Å; L65-P309 HydrophobicContact CG-CG 4.09Å; G260-P309 WeakPolarHBondContact CA-O 3.31Å; P309-H311 PolarHBondContact O-CE1 3.02Å; P309-H311 PolarHBondContact O-N 2.97Å; P309-H311 PolarHBondContact O-ND1 3.15Å; P309-Y338 HydrophobicContact CB-CD1 4.21Å; P309-Y338 HydrophobicContact CB-CD2 3.66Å; P309-Y338 HydrophobicContact CB-CE1 4.07Å; P309-Y338 HydrophobicContact CB-CE2 3.52Å; P309-Y338 HydrophobicContact CB-CG 4.02Å; P309-Y338 HydrophobicContact CG-CD1 4.2Å; P309-Y338 HydrophobicContact CG-CD2 3.92Å; P309-Y338 HydrophobicContact CG-CE2 4.28Å; P309-Y338 HydrophobicContact CG-CG 3.89Å
310L98.1Very high95.5Very high3 Ų327.9 Ų27.92%0.01616%0.156CC..PPolyproline II helixtrans-67.6120.7175.1-173.668.8000108Q97 E137 Q248 V258 D261 L312 Y338Q97-L310 VanDerWaalsContact NE2-N 3.11Å; Q97-L310 PolarHBondContact OE1-O 2.84Å; E137-L310 HydrophobicContact CB-CD2 4.08Å; E137-L310 WeakPolarHBondContact O-CD2 3.43Å; Q248-L310 HydrophobicContact CG-CD1 4.39Å; Q248-L310 HydrophobicContact CG-CD2 4.18Å; V258-L310 HydrophobicContact CB-CD1 3.96Å; V258-L310 HydrophobicContact CG1-CD1 3.64Å; V258-L310 HydrophobicContact CG1-CG 4.22Å; D261-L310 HydrophobicContact CB-CD1 3.77Å; L310-L312 HydrophobicContact CD2-CB 3.75Å; L310-L312 HydrophobicContact CD2-CD2 4.12Å; L310-L312 HydrophobicContact CG-CB 3.77Å; L310-L312 PolarHBondContact O-N 2.95Å; L310-Y338 PolarHBondContact O-OH 2.69Å; L310-Y338 VanDerWaalsContact O-OH 3.05Å
311H98.4Very high95Very high0 Ų027.8 Ų27.80%016%0.158CC..  trans-82.559.6174.9-7063.2000109.3A173 V174 V258 L259 P309 Y338 F339 T342A173-H311 WeakPolarHBondContact CA-O 3.09Å; V174-H311 HydrophobicContact CB-CB 3.76Å; V174-H311 HydrophobicContact CG2-CB 4.09Å; V174-H311 PolarHBondContact N-O 3.12Å; V174-H311 VanDerWaalsContact N-O 3.1Å; V258-H311 HydrophobicContact CG1-CB 4.38Å; V258-H311 VanDerWaalsContact CG1-O 3.23Å; V258-H311 WeakPolarHBondContact CG1-O 3.33Å; L259-H311 HydrophobicContact CB-CB 4.15Å; L259-H311 WeakPolarHBondContact O-CB 3.29Å; L259-H311 PolarHBondContact O-N 3.32Å; L259-H311 PolarHBondContact O-ND1 3.02Å; P309-H311 PolarHBondContact O-CE1 3.02Å; P309-H311 PolarHBondContact O-N 2.97Å; P309-H311 PolarHBondContact O-ND1 3.15Å; H311-Y338 AromaticContact CE1-CD2 3.79Å; H311-Y338 AromaticContact NE2-CD2 3.75Å; H311-F339 HydrophobicContact CB-CD2 4.1Å; H311-F339 HydrophobicContact CB-CE2 3.97Å; H311-T342 WeakPolarHBondContact NE2-CB 3.24Å; H311-T342 PolarHBondContact NE2-OG1 3.24Å
312L98.6Very high94.1Very high4 Ų430.4 Ų30.42%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-130.9112.1173-176.762.1000108.6S138 S139 Y171 A173 L237 L247 Q248 V258 L310S138-L312 WeakPolarHBondContact CA-O 3.34Å; S138-L312 WeakPolarHBondContact OG-CD2 3.49Å; S139-L312 PolarHBondContact N-O 3.35Å; Y171-L312 HydrophobicContact CD1-CD1 3.98Å; Y171-L312 HydrophobicContact CD1-CG 4.09Å; Y171-L312 HydrophobicContact CG-CD1 4.33Å; A173-L312 HydrophobicContact CB-CD1 3.99Å; L237-L312 HydrophobicContact CD1-CD1 4.21Å; L247-L312 HydrophobicContact CB-CD1 4.39Å; L247-L312 HydrophobicContact CB-CD2 4.06Å; L247-L312 HydrophobicContact CD1-CD1 4.02Å; L247-L312 HydrophobicContact CD1-CD2 4.38Å; Q248-L312 HydrophobicContact CG-CD2 4.36Å; V258-L312 HydrophobicContact CG1-CB 4.28Å; L310-L312 HydrophobicContact CD2-CB 3.75Å; L310-L312 HydrophobicContact CD2-CD2 4.12Å; L310-L312 HydrophobicContact CG-CB 3.77Å; L310-L312 PolarHBondContact O-N 2.95Å
313H98.4Very high93.2Very high0 Ų035.4 Ų35.40%018%0.182CC..EExtended strand (participates in β ladder)trans-127.7123.5-170.6-179.576.2000110.4N94 S139 G140 Y171 C172 H315 A333 P334 L335 F339N94-H313 PolarHBondContact OD1-CE1 2.8Å; S139-H313 WeakPolarHBondContact O-CA 3.46Å; S139-H313 PolarHBondContact OG-ND1 3.1Å; G140-H313 WeakPolarHBondContact CA-CE1 3.36Å; G140-H313 WeakPolarHBondContact CA-ND1 3.47Å; G140-H313 PolarHBondContact N-ND1 3.4Å; Y171-H313 CarbonylContact C-O 3.53Å; Y171-H313 WeakPolarHBondContact CA-O 3.49Å; C172-H313 PolarHBondContact N-O 3.05Å; C172-H313 PolarHBondContact O-N 2.91Å; H313-H315 VanDerWaalsContact C-N 3.28Å; H313-H315 PolarHBondContact O-N 3.42Å; H313-A333 PolarHBondContact NE2-O 3.03Å; H313-P334 PolarHBondContact CE1-O 2.88Å; H313-P334 PolarHBondContact NE2-O 3.39Å; H313-L335 HydrophobicContact CB-CD2 4.42Å; H313-F339 HydrophobicContact CB-CD2 4.12Å; H313-F339 HydrophobicContact CB-CE2 3.91Å
314L98.5Very high92Very high0 Ų037.3 Ų37.30%020%0.202CC..EExtended strand (participates in β ladder)trans-72.188.3170.5177.552.2000109S139 G140 L141 A169 Y171 L317S139-L314 PolarHBondContact O-N 2.85Å; G140-L314 WeakPolarHBondContact CA-O 3.33Å; L141-L314 HydrophobicContact CB-CD2 4.11Å; L141-L314 HydrophobicContact CB-CG 4Å; L141-L314 PolarHBondContact N-O 3.32Å; L141-L314 WeakPolarHBondContact O-CD2 3.45Å; A169-L314 HydrophobicContact CB-CD1 3.86Å; Y171-L314 HydrophobicContact CD1-CB 3.93Å; Y171-L314 HydrophobicContact CD1-CD1 4.47Å; Y171-L314 HydrophobicContact CD2-CD1 3.97Å; Y171-L314 HydrophobicContact CE1-CB 3.59Å; Y171-L314 HydrophobicContact CE1-CD1 4.23Å; Y171-L314 HydrophobicContact CE1-CG 4.34Å; Y171-L314 HydrophobicContact CE2-CD1 3.69Å; Y171-L314 HydrophobicContact CG-CD1 4.34Å; L314-L317 HydrophobicContact CD1-CD2 4.13Å; L314-L317 HydrophobicContact CD1-CG 4.44Å; L314-L317 HydrophobicContact CD2-CD1 4.45Å; L314-L317 HydrophobicContact CD2-CD2 4.18Å; L314-L317 HydrophobicContact CD2-CG 4.36Å
315H97.9Very high91.1Very high32 Ų3248 Ų4815%0.14824%0.242CC..EExtended strand (participates in β ladder)trans-75.5-33.6-173.1-177.850.1000112.5T170 C172 H313 L332 A333T170-H315 PolarHBondContact O-N 3.36Å; T170-H315 VanDerWaalsContact O-N 3.12Å; C172-H315 HydrophobicContact CB-CB 4.37Å; H313-H315 VanDerWaalsContact C-N 3.28Å; H313-H315 PolarHBondContact O-N 3.42Å; H315-L332 CarbonylContact O-C 3.47Å; H315-L332 VanDerWaalsContact O-CA 3.32Å; H315-L332 WeakPolarHBondContact O-CA 3.37Å; H315-A333 PolarHBondContact CE1-O 3.39Å; H315-A333 PolarHBondContact ND1-O 2.92Å; H315-A333 PolarHBondContact O-N 2.79Å
316R97.9Very high90.6Very high60 Ų6050.6 Ų50.623%0.22626%0.255CS..EExtended strand (participates in β ladder)trans-146.7138.5-167.8171-171.1146.1-173-17.9113.8L141 A169 T170 E330 L331 L332L141-R316 VanDerWaalsContact CD1-CA 3.49Å; A169-R316 WeakPolarHBondContact CA-O 3.36Å; T170-R316 PolarHBondContact N-O 3.16Å; T170-R316 PolarHBondContact O-N 3.2Å; R316-E330 WeakPolarHBondContact CD-OE1 3.36Å; R316-E330 HydrophobicContact CG-CG 3.95Å; R316-E330 WeakPolarHBondContact CG-OE1 3.44Å; R316-E330 IonicContact CZ-OE1 3.63Å; R316-E330 IonicContact NE-OE1 2.69Å; R316-E330 PolarHBondContact NE-OE1 2.84Å; R316-E330 IonicContact NH1-OE1 3.76Å; R316-L331 CarbonylContact C-O 3.57Å; R316-L331 VanDerWaalsContact CA-O 3.24Å; R316-L331 WeakPolarHBondContact CA-O 3.37Å; R316-L332 HydrophobicContact CB-CD2 3.74Å; R316-L332 HydrophobicContact CG-CD2 3.82Å
317L97.7Very high90.1Very high1 Ų155.9 Ų55.91%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-125.3139.6170.2-70.6173.3000110.6R132 L141 L143 T168 A169 L314 L331R132-L317 HydrophobicContact CB-CD1 4.31Å; R132-L317 HydrophobicContact CG-CD1 4.32Å; R132-L317 HydrophobicContact CG-CD2 4.21Å; L141-L317 HydrophobicContact CB-CD1 3.78Å; L141-L317 HydrophobicContact CB-CG 4.17Å; L141-L317 HydrophobicContact CD1-CB 4Å; L141-L317 HydrophobicContact CD1-CD1 4.15Å; L141-L317 HydrophobicContact CD1-CG 3.76Å; L143-L317 HydrophobicContact CB-CD1 4.3Å; T168-L317 CarbonylContact O-C 3.6Å; T168-L317 WeakPolarHBondContact O-CA 3.39Å; A169-L317 HydrophobicContact CB-CD2 3.84Å; L314-L317 HydrophobicContact CD1-CD2 4.13Å; L314-L317 HydrophobicContact CD1-CG 4.44Å; L314-L317 HydrophobicContact CD2-CD1 4.45Å; L314-L317 HydrophobicContact CD2-CD2 4.18Å; L314-L317 HydrophobicContact CD2-CG 4.36Å; L317-L331 HydrophobicContact CB-CB 4.34Å; L317-L331 PolarHBondContact N-O 2.8Å; L317-L331 PolarHBondContact O-N 3.33Å
318L96.4Very high89.9Confident35 Ų3553.8 Ų53.818%0.18328%0.283CS..EExtended strand (participates in β ladder)trans-104.7126.4173-62.4177.5000109.7F157 T168 P328 E330F157-L318 WeakPolarHBondContact CE1-O 3.37Å; T168-L318 PolarHBondContact O-N 3.25Å; L318-P328 HydrophobicContact CB-CB 4.47Å; L318-P328 HydrophobicContact CD2-CB 4.42Å; L318-E330 HydrophobicContact CD2-CB 4.2Å; L318-E330 HydrophobicContact CD2-CG 4.11Å
319L94.9Very high89.9Confident4 Ų457.2 Ų57.22%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-105.2155.9174-55.6-172.2000110.3L90 L143 L154 F158 P328 I329 L331L90-L319 HydrophobicContact CD1-CD1 3.95Å; L143-L319 HydrophobicContact CD2-CD1 4.23Å; L143-L319 HydrophobicContact CD2-CD2 3.53Å; L154-L319 HydrophobicContact CD2-CD2 4.36Å; F158-L319 HydrophobicContact CE1-CD2 4.4Å; F158-L319 HydrophobicContact CE2-CD2 4.32Å; F158-L319 HydrophobicContact CZ-CD2 3.6Å; L319-P328 VanDerWaalsContact O-CA 3.29Å; L319-P328 WeakPolarHBondContact O-CA 3.36Å; L319-P328 WeakPolarHBondContact O-CB 3.45Å; L319-I329 HydrophobicContact CB-CB 4.17Å; L319-I329 PolarHBondContact N-O 2.71Å; L319-I329 PolarHBondContact O-N 2.98Å; L319-I329 VanDerWaalsContact O-N 3.07Å; L319-L331 HydrophobicContact CD1-CD1 3.76Å; L319-L331 HydrophobicContact CD1-CG 4.13Å; L319-L331 HydrophobicContact CD2-CD1 4.46Å; L319-L331 HydrophobicContact CG-CD1 4.12Å; L319-L331 HydrophobicContact CG-CG 4.34Å
320P92Very high89.8Confident35 Ų3561.5 Ų61.523%0.22732%0.32CS..  trans-60.9142.9173.527.1-33.4000110L154 F157L154-P320 HydrophobicContact CD2-CG 4Å; F157-P320 HydrophobicContact CB-CG 4.45Å; F157-P320 HydrophobicContact CD1-CG 4.37Å; F157-P320 HydrophobicContact CD2-CB 3.79Å; F157-P320 HydrophobicContact CD2-CG 3.88Å; F157-P320 HydrophobicContact CE2-CB 3.78Å; F157-P320 HydrophobicContact CE2-CG 4.2Å; F157-P320 HydrophobicContact CG-CB 4.39Å; F157-P320 HydrophobicContact CG-CG 3.96Å; F157-P320 HydrophobicContact CZ-CB 4.37Å
321G84.8Confident89.7Confident12 Ų1261.8 Ų61.812%0.12432%0.322CS..  trans-62.7166.416800000111.8R323G321-R323 VanDerWaalsContact C-N 3.26Å; G321-R323 PolarHBondContact O-N 2.93Å
322T75.5Confident89.6Confident117 Ų11765.7 Ų65.772%0.71834%0.342SS*.SBendtrans-60.3-36.9-179.632.40000112.5D326T322-D326 WeakPolarHBondContact CB-OD2 3.48Å; T322-D326 PolarHBondContact N-OD2 3.3Å; T322-D326 PolarHBondContact OG1-OD2 3.12Å
323R74.7Confident89.5Confident193 Ų19365.5 Ų65.573%0.72834%0.341SS*.SBendtrans-118.9162.1173.5-54.3173.3176.3-177.4-1109.8G321 R325 D326G321-R323 VanDerWaalsContact C-N 3.26Å; G321-R323 PolarHBondContact O-N 2.93Å; R323-R325 PolarHBondContact O-N 2.9Å; R323-D326 VanDerWaalsContact CB-OD2 3.28Å; R323-D326 WeakPolarHBondContact CB-OD2 3.08Å; R323-D326 WeakPolarHBondContact CG-OD2 3.3Å; R323-D326 PolarHBondContact N-OD2 3.42Å; R323-D326 PolarHBondContact O-N 2.85Å
324A66.9Low89.4Confident115 Ų11569.1 Ų69.195%0.9537%0.365SS*.THydrogen-bonded Turntrans-60.1-20.4-174.800000115
325R73.7Confident89.3Confident248 Ų24870.5 Ų70.594%0.93637%0.372SS*.THydrogen-bonded Turntrans-105.9-3.4179-63.6-171.7-177.6-136.52.2113.9R323R323-R325 PolarHBondContact O-N 2.9Å
326D82.3Confident89.2Confident58 Ų5869.5 Ų69.531%0.3137%0.368SS..SBendtrans-72.5150.6-177.2-65-11.5000110.2T322 R323T322-D326 WeakPolarHBondContact CB-OD2 3.48Å; T322-D326 PolarHBondContact N-OD2 3.3Å; T322-D326 PolarHBondContact OG1-OD2 3.12Å; R323-D326 VanDerWaalsContact CB-OD2 3.28Å; R323-D326 WeakPolarHBondContact CB-OD2 3.08Å; R323-D326 WeakPolarHBondContact CG-OD2 3.3Å; R323-D326 PolarHBondContact N-OD2 3.42Å; R323-D326 PolarHBondContact O-N 2.85Å
327T82.8Confident89.1Confident124 Ų12469.2 Ų69.276%0.76137%0.374SS*.PPolyproline II helixtrans-55.5133.5171.539.80000110I329T327-I329 PolarHBondContact O-N 2.79Å
328P88.7Confident89Confident79 Ų7969.2 Ų69.251%0.51337%0.374SS..PPolyproline II helixtrans-53.5139.8174.8-25.834.4000111.3L318 L319 E330L318-P328 HydrophobicContact CB-CB 4.47Å; L318-P328 HydrophobicContact CD2-CB 4.42Å; L319-P328 VanDerWaalsContact O-CA 3.29Å; L319-P328 WeakPolarHBondContact O-CA 3.36Å; L319-P328 WeakPolarHBondContact O-CB 3.45Å; P328-E330 PolarHBondContact O-N 2.93Å
329I92.5Very high89Confident76 Ų7667.6 Ų67.639%0.3937%0.365SS..EExtended strand (participates in β ladder)trans-76.9125.2173.7-59.3167.1000107.4L319 T327L319-I329 HydrophobicContact CB-CB 4.17Å; L319-I329 PolarHBondContact N-O 2.71Å; L319-I329 PolarHBondContact O-N 2.98Å; L319-I329 VanDerWaalsContact O-N 3.07Å; T327-I329 PolarHBondContact O-N 2.79Å
330E94.6Very high89.1Confident95 Ų9568.8 Ų68.844%0.44437%0.374SS..EExtended strand (participates in β ladder)trans-97.5128179.3-169.5168.8-146.800110.5R316 L318 P328 L332R316-E330 WeakPolarHBondContact CD-OE1 3.36Å; R316-E330 HydrophobicContact CG-CG 3.95Å; R316-E330 WeakPolarHBondContact CG-OE1 3.44Å; R316-E330 IonicContact CZ-OE1 3.63Å; R316-E330 IonicContact NE-OE1 2.69Å; R316-E330 PolarHBondContact NE-OE1 2.84Å; R316-E330 IonicContact NH1-OE1 3.76Å; L318-E330 HydrophobicContact CD2-CB 4.2Å; L318-E330 HydrophobicContact CD2-CG 4.11Å; P328-E330 PolarHBondContact O-N 2.93Å; E330-L332 HydrophobicContact CG-CD2 3.91Å; E330-L332 HydrophobicContact CG-CG 4.16Å
331L96.3Very high89.3Confident9 Ų967.7 Ų67.75%0.04737%0.366CS..EExtended strand (participates in β ladder)trans-107.3131.9169.5-58.2-179.6000108.3T92 L141 L143 R316 L317 L319T92-L331 HydrophobicContact CG2-CB 4.5Å; T92-L331 HydrophobicContact CG2-CD1 4.25Å; L141-L331 HydrophobicContact CD1-CB 4.3Å; L141-L331 WeakPolarHBondContact CD1-O 3.45Å; L141-L331 HydrophobicContact CD2-CB 4.47Å; L143-L331 HydrophobicContact CD1-CD1 3.79Å; L143-L331 HydrophobicContact CD2-CD1 4.36Å; R316-L331 CarbonylContact C-O 3.57Å; R316-L331 VanDerWaalsContact CA-O 3.24Å; R316-L331 WeakPolarHBondContact CA-O 3.37Å; L317-L331 HydrophobicContact CB-CB 4.34Å; L317-L331 PolarHBondContact N-O 2.8Å; L317-L331 PolarHBondContact O-N 3.33Å; L319-L331 HydrophobicContact CD1-CD1 3.76Å; L319-L331 HydrophobicContact CD1-CG 4.13Å; L319-L331 HydrophobicContact CD2-CD1 4.46Å; L319-L331 HydrophobicContact CG-CD1 4.12Å; L319-L331 HydrophobicContact CG-CG 4.34Å
332L96.7Very high89.9Confident82 Ų8267.2 Ų67.243%0.42936%0.361SS..EExtended strand (participates in β ladder)trans-122.5137.6-179.7-61.6176.9000110.1V84 H315 R316 E330V84-L332 WeakPolarHBondContact CG1-O 3.3Å; H315-L332 CarbonylContact O-C 3.47Å; H315-L332 VanDerWaalsContact O-CA 3.32Å; H315-L332 WeakPolarHBondContact O-CA 3.37Å; R316-L332 HydrophobicContact CB-CD2 3.74Å; R316-L332 HydrophobicContact CG-CD2 3.82Å; E330-L332 HydrophobicContact CG-CD2 3.91Å; E330-L332 HydrophobicContact CG-CG 4.16Å
333A95.6Very high91Very high1 Ų162.2 Ų62.21%0.00833%0.329CS..  trans-105.5135.3168.100000110.1N94 L141 H313 H315N94-A333 HydrophobicContact CB-CB 4.28Å; L141-A333 HydrophobicContact CD2-CB 3.64Å; L141-A333 HydrophobicContact CG-CB 3.6Å; H313-A333 PolarHBondContact NE2-O 3.03Å; H315-A333 PolarHBondContact CE1-O 3.39Å; H315-A333 PolarHBondContact ND1-O 2.92Å; H315-A333 PolarHBondContact O-N 2.79Å
334P96.2Very high92Very high75 Ų7558 Ų5849%0.48732%0.318SS..PPolyproline II helixtrans-64.8144.7171.826.8-31.4000110.4N94 H313N94-P334 PolarHBondContact ND2-O 2.75Å; H313-P334 PolarHBondContact CE1-O 2.88Å; H313-P334 PolarHBondContact NE2-O 3.39Å
335L96.6Very high93.4Very high30 Ų3053 Ų5316%0.15728%0.276CS..PPolyproline II helixtrans-62.7138.2175.6-64.5178.2000110.2C172 H313 F339 L343 L350C172-L335 HydrophobicContact CB-CD2 4.39Å; H313-L335 HydrophobicContact CB-CD2 4.42Å; L335-F339 HydrophobicContact CB-CD1 4.49Å; L335-F339 HydrophobicContact CD1-CD1 3.93Å; L335-F339 HydrophobicContact CD1-CE1 4.13Å; L335-F339 HydrophobicContact CD2-CD1 4.08Å; L335-F339 HydrophobicContact CD2-CE1 4.1Å; L335-F339 HydrophobicContact CD2-CG 4.4Å; L335-F339 HydrophobicContact CD2-CZ 4.41Å; L335-F339 HydrophobicContact CG-CD1 4.41Å; L335-L343 HydrophobicContact CD1-CD1 3.44Å; L335-L343 VanDerWaalsContact CD1-CD1 3.44Å; L335-L350 HydrophobicContact CD1-CD2 4.15Å; L335-L350 HydrophobicContact CG-CD2 4.42Å
336P95.8Very high94.5Very high11 Ų1141.2 Ų41.27%0.07123%0.231CC..PPolyproline II helixtrans-65.9155.9177.726.9-33000110.9Y338 F339 S340P336-Y338 HydrophobicContact CB-CD1 3.82Å; P336-Y338 HydrophobicContact CB-CE1 3.52Å; P336-Y338 HydrophobicContact CG-CD1 3.99Å; P336-Y338 HydrophobicContact CG-CE1 3.36Å; P336-Y338 HydrophobicContact CG-CE2 4.25Å; P336-Y338 PolarHBondContact O-N 2.84Å; P336-F339 HydrophobicContact CG-CB 3.76Å; P336-F339 WeakPolarHBondContact O-CB 3.4Å; P336-F339 PolarHBondContact O-N 3.43Å; P336-S340 PolarHBondContact O-N 2.68Å; P336-S340 PolarHBondContact O-OG 3.5Å
337P95.6Very high95.2Very high53 Ų5340.3 Ų40.334%0.34424%0.235SC..Hα-helixtrans-54.8-43.5-175.5-30.536.7000114.7L52 P63 F339 S340 R341L52-P337 HydrophobicContact CD2-CB 4.32Å; P63-P337 HydrophobicContact CB-CB 3.86Å; P337-F339 VanDerWaalsContact C-N 3.28Å; P337-F339 PolarHBondContact O-N 2.8Å; P337-S340 PolarHBondContact O-N 3.26Å; P337-R341 WeakPolarHBondContact O-CB 3.4Å; P337-R341 PolarHBondContact O-N 3.38Å
338Y95.7Very high95.9Very high2 Ų234.5 Ų34.51%0.00820%0.2CC..Hα-helixtrans-58.1-40.8176.571.6-98.1000112.2P63 L65 Q97 S139 P309 L310 H311 P336 T342P63-Y338 PolarHBondContact O-N 3.22Å; L65-Y338 HydrophobicContact CD2-CE1 4.42Å; Q97-Y338 PolarHBondContact OE1-OH 2.89Å; S139-Y338 PolarHBondContact OG-OH 3.2Å; P309-Y338 HydrophobicContact CB-CD1 4.21Å; P309-Y338 HydrophobicContact CB-CD2 3.66Å; P309-Y338 HydrophobicContact CB-CE1 4.07Å; P309-Y338 HydrophobicContact CB-CE2 3.52Å; P309-Y338 HydrophobicContact CB-CG 4.02Å; P309-Y338 HydrophobicContact CG-CD1 4.2Å; P309-Y338 HydrophobicContact CG-CD2 3.92Å; P309-Y338 HydrophobicContact CG-CE2 4.28Å; P309-Y338 HydrophobicContact CG-CG 3.89Å; L310-Y338 PolarHBondContact O-OH 2.69Å; L310-Y338 VanDerWaalsContact O-OH 3.05Å; H311-Y338 AromaticContact CE1-CD2 3.79Å; H311-Y338 AromaticContact NE2-CD2 3.75Å; P336-Y338 HydrophobicContact CB-CD1 3.82Å; P336-Y338 HydrophobicContact CB-CE1 3.52Å; P336-Y338 HydrophobicContact CG-CD1 3.99Å; P336-Y338 HydrophobicContact CG-CE1 3.36Å; P336-Y338 HydrophobicContact CG-CE2 4.25Å; P336-Y338 PolarHBondContact O-N 2.84Å; Y338-T342 PolarHBondContact O-N 3.4Å; Y338-T342 VanDerWaalsContact O-N 3.11Å; Y338-T342 PolarHBondContact O-OG1 2.96Å
339F97.6Very high96Very high0 Ų037.3 Ų37.30%021%0.206CC..Hα-helixtrans-69.4-46.2-179-164.2-57.5000109.8C172 V174 L234 H311 H313 L335 P336 P337 R341 T342 L343C172-F339 HydrophobicContact CB-CZ 4.04Å; V174-F339 HydrophobicContact CG2-CD1 4.29Å; V174-F339 HydrophobicContact CG2-CE1 3.63Å; V174-F339 HydrophobicContact CG2-CE2 4.46Å; V174-F339 HydrophobicContact CG2-CZ 3.72Å; L234-F339 HydrophobicContact CD1-CE1 4.15Å; L234-F339 HydrophobicContact CD1-CZ 4.23Å; H311-F339 HydrophobicContact CB-CD2 4.1Å; H311-F339 HydrophobicContact CB-CE2 3.97Å; H313-F339 HydrophobicContact CB-CD2 4.12Å; H313-F339 HydrophobicContact CB-CE2 3.91Å; L335-F339 HydrophobicContact CB-CD1 4.49Å; L335-F339 HydrophobicContact CD1-CD1 3.93Å; L335-F339 HydrophobicContact CD1-CE1 4.13Å; L335-F339 HydrophobicContact CD2-CD1 4.08Å; L335-F339 HydrophobicContact CD2-CE1 4.1Å; L335-F339 HydrophobicContact CD2-CG 4.4Å; L335-F339 HydrophobicContact CD2-CZ 4.41Å; L335-F339 HydrophobicContact CG-CD1 4.41Å; P336-F339 HydrophobicContact CG-CB 3.76Å; P336-F339 WeakPolarHBondContact O-CB 3.4Å; P336-F339 PolarHBondContact O-N 3.43Å; P337-F339 VanDerWaalsContact C-N 3.28Å; P337-F339 PolarHBondContact O-N 2.8Å; F339-R341 VanDerWaalsContact C-N 3.34Å; F339-R341 PolarHBondContact O-N 2.93Å; F339-T342 WeakPolarHBondContact O-CB 3.27Å; F339-T342 PolarHBondContact O-N 3.25Å; F339-L343 HydrophobicContact CD1-CD1 3.94Å; F339-L343 HydrophobicContact CD1-CD2 4.32Å; F339-L343 HydrophobicContact CD1-CG 3.85Å; F339-L343 HydrophobicContact CE1-CD1 3.88Å; F339-L343 HydrophobicContact CE1-CD2 3.91Å; F339-L343 HydrophobicContact CE1-CG 3.9Å; F339-L343 WeakPolarHBondContact O-CG 3.42Å; F339-L343 PolarHBondContact O-N 3.24Å
340S96.9Very high95.7Very high30 Ų3036.1 Ų36.121%0.2120%0.2CC..Hα-helixtrans-60.9-41.5177.8-610000112.3P336 P337 L343 Q344P336-S340 PolarHBondContact O-N 2.68Å; P336-S340 PolarHBondContact O-OG 3.5Å; P337-S340 PolarHBondContact O-N 3.26Å; S340-L343 PolarHBondContact O-N 3.48Å; S340-Q344 WeakPolarHBondContact O-CG 3.47Å; S340-Q344 PolarHBondContact O-N 3.36Å; S340-Q344 VanDerWaalsContact O-N 3.08Å
341R95.9Very high94.3Very high11 Ų1141 Ų414%0.04222%0.223CC..Hα-helixtrans-59.2-47.6173.8-179.5-175.2179-86.33.9111.1G55 L57 L298 P337 F339 L343 Q344 C345G55-R341 PolarHBondContact O-NH2 3.26Å; L57-R341 VanDerWaalsContact CD1-NE 3.27Å; L298-R341 PolarHBondContact O-NH1 3.27Å; L298-R341 PolarHBondContact O-NH2 3.23Å; P337-R341 WeakPolarHBondContact O-CB 3.4Å; P337-R341 PolarHBondContact O-N 3.38Å; F339-R341 VanDerWaalsContact C-N 3.34Å; F339-R341 PolarHBondContact O-N 2.93Å; R341-L343 VanDerWaalsContact C-N 3.34Å; R341-L343 PolarHBondContact O-N 3.04Å; R341-Q344 WeakPolarHBondContact O-CB 3.09Å; R341-Q344 PolarHBondContact O-N 3.1Å; R341-C345 PolarHBondContact O-N 3.38Å; R341-C345 PolarHBondContact O-SG 3.41Å
342T97.2Very high94.2Very high3 Ų342.6 Ų42.62%0.01823%0.231CC..Hα-helixtrans-59.1-44.3177.8-67.40000111.9V174 L259 L298 H311 Y338 F339 Q344 C345 L346V174-T342 HydrophobicContact CG1-CG2 4.19Å; V174-T342 HydrophobicContact CG2-CG2 4.42Å; L259-T342 HydrophobicContact CD2-CG2 3.57Å; L298-T342 HydrophobicContact CD2-CG2 3.98Å; H311-T342 WeakPolarHBondContact NE2-CB 3.24Å; H311-T342 PolarHBondContact NE2-OG1 3.24Å; Y338-T342 PolarHBondContact O-N 3.4Å; Y338-T342 VanDerWaalsContact O-N 3.11Å; Y338-T342 PolarHBondContact O-OG1 2.96Å; F339-T342 WeakPolarHBondContact O-CB 3.27Å; F339-T342 PolarHBondContact O-N 3.25Å; T342-Q344 VanDerWaalsContact C-N 3.32Å; T342-Q344 PolarHBondContact O-N 2.77Å; T342-C345 PolarHBondContact O-N 3.36Å; T342-L346 HydrophobicContact CG2-CD1 3.64Å; T342-L346 HydrophobicContact CG2-CG 4.33Å; T342-L346 WeakPolarHBondContact O-CB 3.48Å; T342-L346 VanDerWaalsContact O-CG 3.27Å; T342-L346 WeakPolarHBondContact O-CG 3.46Å; T342-L346 PolarHBondContact O-N 3.31Å
343L97.8Very high94.1Very high11 Ų1140.5 Ų40.56%0.05822%0.221CC..Hα-helixtrans-58.2-45176.2-68.8-174000111.8V174 L234 L335 F339 S340 R341 L346 G347 L348V174-L343 HydrophobicContact CG2-CD2 3.69Å; L234-L343 HydrophobicContact CB-CD2 4.44Å; L234-L343 HydrophobicContact CD1-CD2 4.11Å; L234-L343 HydrophobicContact CD2-CD1 4.43Å; L234-L343 HydrophobicContact CD2-CD2 4.17Å; L234-L343 HydrophobicContact CG-CD2 4.48Å; L335-L343 HydrophobicContact CD1-CD1 3.44Å; L335-L343 VanDerWaalsContact CD1-CD1 3.44Å; F339-L343 HydrophobicContact CD1-CD1 3.94Å; F339-L343 HydrophobicContact CD1-CD2 4.32Å; F339-L343 HydrophobicContact CD1-CG 3.85Å; F339-L343 HydrophobicContact CE1-CD1 3.88Å; F339-L343 HydrophobicContact CE1-CD2 3.91Å; F339-L343 HydrophobicContact CE1-CG 3.9Å; F339-L343 WeakPolarHBondContact O-CG 3.42Å; F339-L343 PolarHBondContact O-N 3.24Å; S340-L343 PolarHBondContact O-N 3.48Å; R341-L343 VanDerWaalsContact C-N 3.34Å; R341-L343 PolarHBondContact O-N 3.04Å; L343-L346 PolarHBondContact O-N 2.75Å; L343-G347 PolarHBondContact O-N 3.2Å; L343-L348 HydrophobicContact CB-CB 4.35Å; L343-L348 WeakPolarHBondContact CB-O 2.83Å; L343-L348 HydrophobicContact CD2-CB 3.6Å; L343-L348 HydrophobicContact CD2-CD1 3.96Å; L343-L348 HydrophobicContact CD2-CG 4.44Å; L343-L348 PolarHBondContact O-N 3.35Å
344Q96.8Very high94Very high105 Ų10542.7 Ų42.749%0.49123%0.233SC..Hα-helixtrans-61.9-47.8176.8-69.9171.5-4.500112.2S340 R341 T342 L346 G347S340-Q344 WeakPolarHBondContact O-CG 3.47Å; S340-Q344 PolarHBondContact O-N 3.36Å; S340-Q344 VanDerWaalsContact O-N 3.08Å; R341-Q344 WeakPolarHBondContact O-CB 3.09Å; R341-Q344 PolarHBondContact O-N 3.1Å; T342-Q344 VanDerWaalsContact C-N 3.32Å; T342-Q344 PolarHBondContact O-N 2.77Å; Q344-L346 PolarHBondContact O-N 3.28Å; Q344-G347 PolarHBondContact O-N 2.93Å
345C96.8Very high93.9Very high10 Ų1040.8 Ų40.87%0.06822%0.218CC..Hα-helixtrans-57.5-37.3177-750000112.5R297 L298 R341 T342R297-C345 VanDerWaalsContact CD-O 3.27Å; R297-C345 WeakPolarHBondContact CD-O 3.33Å; R297-C345 WeakPolarHBondContact CG-O 3.47Å; R297-C345 PolarHBondContact NE-O 3.41Å; R297-C345 VanDerWaalsContact NE-O 3.1Å; R297-C345 WeakPolarHBondContact O-CB 3.25Å; L298-C345 HydrophobicContact CD2-CB 4.02Å; R341-C345 PolarHBondContact O-N 3.38Å; R341-C345 PolarHBondContact O-SG 3.41Å; T342-C345 PolarHBondContact O-N 3.36Å
346L97.1Very high93.7Very high1 Ų141.5 Ų41.51%0.00522%0.222CC..Hα-helixtrans-88.7-10.6-176.5-62.4175.7000113.9V174 S230 C232 L294 R297 L298 T342 L343 Q344 L348V174-L346 HydrophobicContact CG1-CD1 3.82Å; S230-L346 PolarHBondContact OG-O 2.63Å; C232-L346 HydrophobicContact CB-CD1 3.89Å; L294-L346 HydrophobicContact CD1-CD2 3.55Å; R297-L346 HydrophobicContact CG-CD2 3.92Å; L298-L346 HydrophobicContact CD2-CD1 4.23Å; L298-L346 HydrophobicContact CD2-CD2 3.84Å; L298-L346 HydrophobicContact CD2-CG 3.88Å; L298-L346 HydrophobicContact CG-CD2 4.38Å; T342-L346 HydrophobicContact CG2-CD1 3.64Å; T342-L346 HydrophobicContact CG2-CG 4.33Å; T342-L346 WeakPolarHBondContact O-CB 3.48Å; T342-L346 VanDerWaalsContact O-CG 3.27Å; T342-L346 WeakPolarHBondContact O-CG 3.46Å; T342-L346 PolarHBondContact O-N 3.31Å; L343-L346 PolarHBondContact O-N 2.75Å; Q344-L346 PolarHBondContact O-N 3.28Å; L346-L348 HydrophobicContact CB-CD1 3.81Å; L346-L348 HydrophobicContact CB-CG 3.79Å; L346-L348 HydrophobicContact CD1-CD1 3.84Å; L346-L348 HydrophobicContact CG-CD1 4.5Å
347G96Very high93.6Very high38 Ų3843.5 Ų43.539%0.39223%0.232SC..THydrogen-bonded Turntrans71.431.2-173.100000113L343 Q344L343-G347 PolarHBondContact O-N 3.2Å; Q344-G347 PolarHBondContact O-N 2.93Å
348L96.8Very high93.4Very high3 Ų342.9 Ų42.92%0.01622%0.224CC..  trans-98137179.9-62.5174000109.9V174 A227 L234 L343 L346V174-L348 HydrophobicContact CG1-CD1 4.18Å; A227-L348 HydrophobicContact CB-CB 4.45Å; A227-L348 HydrophobicContact CB-CD2 3.92Å; L234-L348 HydrophobicContact CB-CB 4.4Å; L234-L348 HydrophobicContact CB-CD1 4.31Å; L343-L348 HydrophobicContact CB-CB 4.35Å; L343-L348 WeakPolarHBondContact CB-O 2.83Å; L343-L348 HydrophobicContact CD2-CB 3.6Å; L343-L348 HydrophobicContact CD2-CD1 3.96Å; L343-L348 HydrophobicContact CD2-CG 4.44Å; L343-L348 PolarHBondContact O-N 3.35Å; L346-L348 HydrophobicContact CB-CD1 3.81Å; L346-L348 HydrophobicContact CB-CG 3.79Å; L346-L348 HydrophobicContact CD1-CD1 3.84Å; L346-L348 HydrophobicContact CG-CD1 4.5Å
349H92.2Very high93.2Very high137 Ų13746 Ų4663%0.63424%0.24SC*.  trans-124130.4179.3-61-71.8000110.5
350L85.4Confident92.9Very high51 Ų5149.8 Ų49.827%0.26726%0.26SS..  trans-77.7123.3167.1-169.669.5000107.2L234 L335L234-L350 HydrophobicContact CD2-CB 4.07Å; L234-L350 HydrophobicContact CD2-CD1 3.9Å; L335-L350 HydrophobicContact CD1-CD2 4.15Å; L335-L350 HydrophobicContact CG-CD2 4.42Å
351Q65.5Low92.5Very high198 Ų19851.6 Ų51.693%0.92527%0.265SS*.  trans-72.80178.5-71.1-172.7-26.900112.4V226V226-Q351 HydrophobicContact CG1-CB 4.35Å; V226-Q351 HydrophobicContact CG1-CG 4.07Å

Retrieved 351 of 351 residues in 189.1 ms (Link to these results)