G4LVP3_SCHMA Loading...

Putative RNA-binding protein

AlphaFold DB , UniProt , Accession G4LVP3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 196 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M36.3Very low39.5Very low239 Ų239145.4 Ų145.4100%1.17783%0.833SS**  0108.20-76.7-71.3152.400108
2P40.5Very low39.3Very low136 Ų136140.8 Ų140.888%0.88383%0.826SS**  -136.4162123.536.6-24000109.5
3G38.3Very low38.6Very low74 Ų74140.6 Ų140.676%0.76383%0.828SS**  cis165.21134.600000105.1A5G3-A5 PolarHBondContact O-N 3.25Å
4R42.2Very low38.3Very low254 Ų254137.6 Ų137.696%0.95883%0.827SS**  trans-67.8114.3-175.7-80171.7148.8177.5-5.5110.7S6R4-S6 PolarHBondContact O-N 3.36Å
5A43.1Very low37.9Very low82 Ų82141.5 Ų141.568%0.67883%0.829SS**  trans-80.4105162.400000109.5G3 F7G3-A5 PolarHBondContact O-N 3.25Å; A5-F7 HydrophobicContact CB-CD2 4.43Å; A5-F7 HydrophobicContact CB-CE2 4.12Å; A5-F7 PolarHBondContact O-N 3.04Å
6S43Very low37.5Very low109 Ų109138.3 Ų138.376%0.76282%0.823SS**  trans-78.6102.5173.1-1700000108.9R4 A8R4-S6 PolarHBondContact O-N 3.36Å; S6-A8 PolarHBondContact O-N 3.14Å
7F47.2Very low37.2Very low206 Ų206138.6 Ų138.690%0.90482%0.819SS**  trans-92.788.9167-76.9-82.7000109.1A5A5-F7 HydrophobicContact CB-CD2 4.43Å; A5-F7 HydrophobicContact CB-CE2 4.12Å; A5-F7 PolarHBondContact O-N 3.04Å
8A34.6Very low37.4Very low82 Ų82138.1 Ų138.168%0.67882%0.824SS**  trans-117.8117160.200000106.5S6S6-A8 PolarHBondContact O-N 3.14Å
9M41.2Very low37.1Very low169 Ų169139 Ų13983%0.83382%0.823SS**  trans174.7139164.1-81.3-106.2-75.600104.9
10M33.1Very low37Very low156 Ų156139.4 Ų139.477%0.76882%0.821SS**  cis-158.1150.65.6-102.1-76.5-168.200106.8
11A34.5Very low36.9Very low92 Ų92138.6 Ų138.676%0.7682%0.818SS**  trans-90.9139.8166.100000109.7
12A37Very low36.8Very low90 Ų90133.9 Ų133.974%0.74480%0.796SS**  trans-153.9117.4159.200000106.2
13T30.8Very low36.3Very low139 Ų139133.4 Ų133.485%0.85379%0.793SS**  66.3102.359.266.50000115.8
14A34.9Very low35.8Very low99 Ų99133.3 Ų133.382%0.81879%0.792SS**  trans-173.9116.814500000106.6
15K31.6Very low35.5Very low196 Ų196127.9 Ų127.985%0.85279%0.787SS**  74.4108.153.5-159.2-178.9-170.7-176.30113.6
16A32.2Very low34.7Very low89 Ų89132 Ų13274%0.73680%0.796SS**  trans166.7101.114300000108.4
17L32.4Very low34.4Very low144 Ų144131.8 Ų131.875%0.75479%0.792SS**  54.9107.893.3-63.8-179.2000114.4
18S40.3Very low33.7Very low130 Ų130127.2 Ų127.291%0.90978%0.783SS**  trans-151.2108.9138.8-75.50000108
19L32.4Very low33.4Very low155 Ų155129 Ų12981%0.81279%0.786SS**  trans-72.8165.8174.3-73.3161.9000110.4
20N34.4Very low32.8Very low147 Ų147128.2 Ų128.279%0.78678%0.78SS**  trans81.6113.8147.5-113.17.1000116.9
21V34.2Very low32.8Very low123 Ų123128.4 Ų128.475%0.74578%0.783SS**  -179.5111.5101.5156.10000110.4
22I35.8Very low32.4Very low139 Ų139130.3 Ų130.371%0.71378%0.781SS**  trans50.7117137-48.3179.3000120.3
23P29.7Very low32Very low127 Ų127130 Ų13083%0.82578%0.779SS**  trans-87.1136.716533.7-27.3000111.4
24G27.6Very low32.2Very low72 Ų72130.8 Ų130.874%0.74278%0.776SS**  trans136.799.3164.900000113.6
25V34.8Very low32Very low140 Ų140131.9 Ų131.985%0.84877%0.772SS**  trans-171.4109.1130.7143.20000107.2
26L26.8Very low32.1Very low167 Ų167127.7 Ų127.787%0.87477%0.768SS**  trans-70.3144.4155.3-85.7151.2000108.4
27P36.1Very low32.1Very low106 Ų106130.9 Ų130.969%0.68877%0.767SS**  trans-116149141.534.4-26.1000111
28P32.8Very low32.3Very low109 Ų109132.4 Ų132.471%0.70877%0.77SS**  trans-96.7162-17938.2-33.3000113.3
29T28.9Very low31.8Very low119 Ų119134.6 Ų134.673%0.7377%0.766SS**  trans70.9117.3139.7500000122.3
30Q28.3Very low31.4Very low153 Ų153137.3 Ų137.372%0.71577%0.767SS**  74.2119.2122-62-74.617.800120.1
31L32.7Very low31Very low160 Ų160134.3 Ų134.384%0.83877%0.771SS**  -178.8106126-96157.4000106.8
32N27.1Very low31Very low133 Ų133133.9 Ų133.971%0.71177%0.773SS**  37.6117.396.1-74.2-13.2000114.1
33A28.8Very low30.8Very low84 Ų84132 Ų13269%0.69478%0.778SS**  161.6137.5102.800000112.7
34I35.1Very low30.8Very low154 Ų154133.1 Ų133.179%0.7978%0.777SS**  trans87.394.2150.3-53142.7000118.2
35T30.6Very low31.6Very low122 Ų122134.7 Ų134.775%0.74878%0.775SS**  28.6115.3118.1-48.30000118.6
36S33.4Very low31.4Very low109 Ų109140 Ų14076%0.76278%0.779SS**  -164.7141.7115.2-163.30000111.8
37H32Very low31.5Very low155 Ų155139.3 Ų139.372%0.71877%0.771SS**  trans-67.3122.8177-71.3-115.6000111.2
38H36.6Very low31.2Very low176 Ų176140 Ų14082%0.81578%0.778SS**  trans-147.9102.5143.9-89.9-46.2000110.5Y40H38-Y40 PolarHBondContact O-N 2.73Å
39H29.3Very low31.2Very low177 Ų177141.9 Ų141.982%0.81978%0.777SS**  trans-62.4110.2155.9-85.257.1000108.4
40Y24.8Very low31.7Very low211 Ų211144.6 Ų144.683%0.82778%0.781SS**  trans-137.1111.2145.2-91.1-79.9000107.8H38 S42H38-Y40 PolarHBondContact O-N 2.73Å; Y40-S42 PolarHBondContact O-N 3.1Å
41G26.3Very low31.8Very low85 Ų85144.3 Ų144.388%0.87678%0.784SS**  trans-58.6121163.700000108.9
42S33.7Very low31.9Very low114 Ų114146.6 Ų146.680%0.79779%0.788SS**  trans-134.6115.1160.9-171.60000107.5Y40 N44Y40-S42 PolarHBondContact O-N 3.1Å; S42-N44 PolarHBondContact O-N 3.24Å
43A30.8Very low32.4Very low99 Ų99145.7 Ų145.782%0.81879%0.791SS**  trans-69.4113.2177.800000110.2
44N30.6Very low32.8Very low150 Ų150146.2 Ų146.280%0.80280%0.796SS**  trans-169160.7151.1-134.4-6.2000111.8S42S42-N44 PolarHBondContact O-N 3.24Å
45P43.8Very low33Very low106 Ų106146.8 Ų146.869%0.68879%0.793SS**  -109.2148.5-77.727.6-14.6000111.2H47P45-H47 PolarHBondContact O-N 2.75Å
46R31.2Very low33.2Very low250 Ų250146 Ų14694%0.94379%0.792SS**  trans-65.8101.2175.1-69.1-176.6174135.7-0.6110.2C48R46-C48 PolarHBondContact O-N 3.23Å
47H29.4Very low33.6Very low153 Ų153146 Ų14671%0.70879%0.79SS**  trans-49.6100.4159.5-164-105000109P45 E49P45-H47 PolarHBondContact O-N 2.75Å; H47-E49 VanDerWaalsContact C-N 3.28Å; H47-E49 IonicContact CE1-OE2 3.72Å; H47-E49 PolarHBondContact CE1-OE2 3.2Å; H47-E49 WeakPolarHBondContact ND1-CG 3.38Å; H47-E49 IonicContact ND1-OE2 3.88Å; H47-E49 PolarHBondContact ND1-OE2 2.9Å; H47-E49 PolarHBondContact O-N 2.86Å; H47-E49 VanDerWaalsContact O-N 3.1Å
48C28.9Very low33.7Very low122 Ų122142.1 Ų142.182%0.82479%0.792SS**  trans-81.280.4170.547.80000109.3R46 H50R46-C48 PolarHBondContact O-N 3.23Å; C48-H50 PolarHBondContact O-N 2.82Å
49E32.2Very low33.9Very low147 Ų147136.2 Ų136.269%0.68777%0.773SS**  trans-65.6108.2152.2-89.6161.8108.900108.4H47H47-E49 VanDerWaalsContact C-N 3.28Å; H47-E49 IonicContact CE1-OE2 3.72Å; H47-E49 PolarHBondContact CE1-OE2 3.2Å; H47-E49 WeakPolarHBondContact ND1-CG 3.38Å; H47-E49 IonicContact ND1-OE2 3.88Å; H47-E49 PolarHBondContact ND1-OE2 2.9Å; H47-E49 PolarHBondContact O-N 2.86Å; H47-E49 VanDerWaalsContact O-N 3.1Å
50H39.8Very low34.4Very low177 Ų177130.6 Ų130.682%0.81975%0.754SS**  trans-142.794.6156.3-95.386.6000110.7C48C48-H50 PolarHBondContact O-N 2.82Å
51N31Very low35.5Very low147 Ų147124.9 Ų124.979%0.78674%0.738SS**  trans70.1106.9133.5-125.5-14.2000120.1S53N51-S53 PolarHBondContact O-N 2.79Å
52K35.4Very low36.5Very low208 Ų208125.3 Ų125.390%0.90473%0.728SS**  trans-63.192161.4-63.2171.3-179.7173.40109
53S35.8Very low37.2Very low113 Ų113126.8 Ų126.879%0.7972%0.722SS**  trans-96.9120157.764.40000109.1N51 F55N51-S53 PolarHBondContact O-N 2.79Å; S53-F55 PolarHBondContact O-N 3.28Å
54A39.2Very low38.2Very low96 Ų96128.9 Ų128.979%0.79371%0.713SS**  trans-73.5117.5-167.100000112.5
55F39.2Very low39.4Very low166 Ų166126.3 Ų126.373%0.72870%0.696SS**  trans-152.687134.1-138.1-93.3000109.4S53S53-F55 PolarHBondContact O-N 3.28Å
56S33.2Very low40.2Very low104 Ų104126.4 Ų126.473%0.72770%0.699SS**  trans-61129.5160.3-61.50000108.4
57P43.5Very low42.3Very low110 Ų110120.4 Ų120.471%0.71468%0.679SS**  -109.3121.691.431.9-30.1000107.6
58G32.9Very low45Very low74 Ų74115 Ų11576%0.76366%0.661SS**  cis73.142.735.400000111.2
59A41.4Very low47.9Very low51 Ų51110 Ų11042%0.42163%0.627SS.*  trans-16399.6156.700000107.6D61A59-D61 PolarHBondContact O-N 3.43Å
60S38.5Very low50.7Low60 Ų60106.6 Ų106.642%0.4261%0.608SS.*  trans13.494.5154.644.60000114.9S62 E63S60-S62 PolarHBondContact O-N 3.24Å; S60-E63 PolarHBondContact O-N 2.88Å; S60-E63 PolarHBondContact OG-OE2 2.84Å
61D49.2Very low53.3Low91 Ų91100.2 Ų100.249%0.48758%0.582SS.*THydrogen-bonded Turntrans-61.3-9.9173.5-97.9-48.1000111.8A59 E65 K141A59-D61 PolarHBondContact O-N 3.43Å; D61-E65 VanDerWaalsContact O-CD 3.24Å; D61-E65 VanDerWaalsContact O-CG 3.24Å; D61-E65 WeakPolarHBondContact O-CG 3.25Å; D61-K141 IonicContact OD1-NZ 2.75Å; D61-K141 IonicContact OD2-NZ 3.7Å; D61-K141 PolarHBondContact OD2-NZ 3.42Å
62S46.3Very low56.3Low94 Ų9493.2 Ų93.266%0.65754%0.544SS*.THydrogen-bonded Turntrans-86.4-28.7-179.4-47.60000115.6S60S60-S62 PolarHBondContact O-N 3.24Å
63E49.9Very low59.1Low144 Ų14487 Ų8767%0.67352%0.517SS*.THydrogen-bonded Turntrans-87.3-28.6-173.5-65-179.7141.800112.6S60 E65 S66S60-E63 PolarHBondContact O-N 2.88Å; S60-E63 PolarHBondContact OG-OE2 2.84Å; E63-E65 VanDerWaalsContact C-N 3.28Å; E63-E65 PolarHBondContact O-N 3.47Å; E63-S66 PolarHBondContact O-OG 2.91Å
64K50.7Low61.8Low144 Ų14481.6 Ų81.663%0.62648%0.48SS*.G310 helixtrans-80.7-7.4174.6-70.2177.3-175.8161.30113.5S66K64-S66 PolarHBondContact O-N 2.82Å
65E55.5Low64.3Low96 Ų9677.5 Ų77.545%0.44945%0.447SS..G310 helixtrans-69-21.9174.8-84176.2157.900113.2D61 E63 K67 K127D61-E65 VanDerWaalsContact O-CD 3.24Å; D61-E65 VanDerWaalsContact O-CG 3.24Å; D61-E65 WeakPolarHBondContact O-CG 3.25Å; E63-E65 VanDerWaalsContact C-N 3.28Å; E63-E65 PolarHBondContact O-N 3.47Å; E65-K67 PolarHBondContact O-N 3.2Å; E65-K127 VanDerWaalsContact CG-NZ 3.35Å; E65-K127 IonicContact OE1-NZ 3.2Å; E65-K127 PolarHBondContact OE1-NZ 3.42Å
66S60.1Low66.7Low108 Ų10871.7 Ų71.776%0.75543%0.426SS*.G310 helixtrans-67.1-18.3178.962.10000114.4E63 K64E63-S66 PolarHBondContact O-OG 2.91Å; K64-S66 PolarHBondContact O-N 2.82Å
67K76Confident69.5Low123 Ų12366.8 Ų66.854%0.53539%0.392SS..SBendtrans-116.762.2-176.1-127.7171.7-171.4-74.30111.3E65 T69 V147E65-K67 PolarHBondContact O-N 3.2Å; K67-T69 PolarHBondContact O-N 3.22Å; K67-V147 HydrophobicContact CB-CG2 3.75Å; K67-V147 HydrophobicContact CD-CB 3.93Å; K67-V147 HydrophobicContact CD-CG1 4.23Å; K67-V147 HydrophobicContact CD-CG2 3.5Å; K67-V147 HydrophobicContact CG-CB 4.43Å; K67-V147 HydrophobicContact CG-CG2 3.62Å
68A85.6Confident71.7Confident39 Ų3963.4 Ų63.432%0.32237%0.367SS..  trans-53.7127.7171.700000110.1V120 Y144A68-V120 HydrophobicContact CB-CG1 3.61Å; A68-Y144 HydrophobicContact CB-CD1 4.32Å; A68-Y144 HydrophobicContact CB-CE1 3.85Å; A68-Y144 HydrophobicContact CB-CE2 4.13Å
69T90.8Very high74.3Confident19 Ų1963.6 Ų63.612%0.11735%0.354CS..  trans-122.2160.1177.154.80000110.6K67 T71 A123 G145 V147K67-T69 PolarHBondContact O-N 3.22Å; T69-T71 PolarHBondContact O-N 3.39Å; T69-T71 PolarHBondContact OG1-O 3.23Å; T69-A123 WeakPolarHBondContact O-CB 3.36Å; T69-G145 PolarHBondContact OG1-N 3.31Å; T69-G145 PolarHBondContact OG1-O 3.41Å; T69-V147 HydrophobicContact CG2-CB 4.14Å; T69-V147 HydrophobicContact CG2-CG1 4.1Å; T69-V147 HydrophobicContact CG2-CG2 3.38Å
70R91.7Very high76.5Confident75 Ų7565.2 Ų65.228%0.28336%0.356SS..SBendtrans-61.8-21.1171.1-68.3-164.4-70.2153.72.4113.1E97 F117 R118 V120R70-E97 IonicContact NH1-OE2 2.78Å; R70-F117 WeakPolarHBondContact CB-O 3.31Å; R70-F117 PolarHBondContact O-N 3.18Å; R70-R118 WeakPolarHBondContact CD-O 3.45Å; R70-V120 HydrophobicContact CG-CG2 3.6Å
71T93Very high79Confident43 Ų4363 Ų6326%0.26434%0.34SS..EExtended strand (participates in β ladder)trans-95.8122.6-179.7-55.10000109.9T69 V115 H116 G145T69-T71 PolarHBondContact O-N 3.39Å; T69-T71 PolarHBondContact OG1-O 3.23Å; T71-V115 CarbonylContact C-O 3.46Å; T71-V115 WeakPolarHBondContact CA-O 3.35Å; T71-H116 PolarHBondContact OG1-ND1 3.35Å; T71-G145 WeakPolarHBondContact O-CA 3.3Å; T71-G145 PolarHBondContact O-N 2.88Å
72L94.4Very high81.1Confident0 Ų061.8 Ų61.80%034%0.335CS..EExtended strand (participates in β ladder)trans-96137.1164.5-71.3-170.9000110.6F90 S114 V115 F117 A123 A126 K127 Y144L72-F90 HydrophobicContact CD1-CE1 4.39Å; L72-S114 CarbonylContact O-C 3.59Å; L72-S114 VanDerWaalsContact O-CA 3.3Å; L72-S114 WeakPolarHBondContact O-CA 3.35Å; L72-V115 PolarHBondContact N-O 3.34Å; L72-V115 PolarHBondContact O-N 3.37Å; L72-F117 HydrophobicContact CB-CE2 4.39Å; L72-F117 HydrophobicContact CD1-CE2 3.8Å; L72-F117 HydrophobicContact CG-CD2 4.38Å; L72-F117 HydrophobicContact CG-CE2 4.04Å; L72-A123 WeakPolarHBondContact CD1-O 3.3Å; L72-A123 HydrophobicContact CD2-CB 4.21Å; L72-A123 HydrophobicContact CG-CB 4.01Å; L72-A126 HydrophobicContact CD1-CB 3.78Å; L72-K127 HydrophobicContact CD1-CB 4.31Å; L72-K127 HydrophobicContact CD2-CB 4.19Å; L72-Y144 HydrophobicContact CD2-CD1 3.76Å; L72-Y144 HydrophobicContact CD2-CE1 4.04Å
73F94Very high83.3Confident77 Ų7763.2 Ų63.234%0.33833%0.33SS..EExtended strand (participates in β ladder)trans-97.1127.8166.6-176.8-92.4000109.3Y112 K142 S143F73-Y112 HydrophobicContact CD2-CD2 4.35Å; F73-Y112 AromaticContact CE2-CD2 3.28Å; F73-Y112 HydrophobicContact CE2-CD2 3.28Å; F73-Y112 AromaticContact CE2-CE2 3.85Å; F73-Y112 HydrophobicContact CE2-CE2 3.85Å; F73-Y112 AromaticContact CE2-CG 3.82Å; F73-Y112 HydrophobicContact CE2-CG 3.82Å; F73-Y112 HydrophobicContact CZ-CD1 4.43Å; F73-Y112 AromaticContact CZ-CD2 3.63Å; F73-Y112 HydrophobicContact CZ-CD2 3.63Å; F73-Y112 HydrophobicContact CZ-CE2 4.33Å; F73-Y112 AromaticContact CZ-CG 3.63Å; F73-Y112 HydrophobicContact CZ-CG 3.63Å; F73-K142 WeakPolarHBondContact O-CA 3.43Å; F73-S143 PolarHBondContact N-O 3.41Å; F73-S143 PolarHBondContact O-N 2.86Å
74V93Very high85.5Confident0 Ų064.7 Ų64.70%033%0.334CS..EExtended strand (participates in β ladder)trans-119.6106.2-176.6-171.30000108L77 F90 Y112 A113 V115 C140 K141V74-L77 HydrophobicContact CB-CD1 4.32Å; V74-L77 HydrophobicContact CG1-CD1 3.98Å; V74-L77 HydrophobicContact CG1-CD2 4.01Å; V74-L77 HydrophobicContact CG1-CG 4.16Å; V74-F90 HydrophobicContact CB-CE2 4.46Å; V74-F90 HydrophobicContact CB-CZ 4.35Å; V74-F90 HydrophobicContact CG1-CE2 4.11Å; V74-F90 HydrophobicContact CG1-CZ 3.99Å; V74-F90 HydrophobicContact CG2-CE1 4.26Å; V74-F90 HydrophobicContact CG2-CE2 3.68Å; V74-F90 HydrophobicContact CG2-CZ 3.4Å; V74-F90 VanDerWaalsContact CG2-CZ 3.4Å; V74-Y112 CarbonylContact O-C 3.54Å; V74-Y112 WeakPolarHBondContact O-CA 3.24Å; V74-Y112 WeakPolarHBondContact O-CB 3.29Å; V74-A113 HydrophobicContact CB-CB 4.41Å; V74-A113 PolarHBondContact N-O 3.26Å; V74-A113 PolarHBondContact O-N 3.37Å; V74-V115 HydrophobicContact CG2-CG2 4.12Å; V74-C140 HydrophobicContact CG1-CB 3.95Å; V74-K141 CarbonylContact C-O 3.55Å; V74-K141 WeakPolarHBondContact CA-O 3.05Å
75G91.6Very high87.5Confident10 Ų1060.4 Ų60.410%0.10332%0.316CS..EExtended strand (participates in β ladder)trans-99.6175.4176.600000112.8C140 K141G75-C140 CarbonylContact O-C 3.53Å; G75-C140 VanDerWaalsContact O-CA 3.27Å; G75-C140 WeakPolarHBondContact O-CA 3.29Å; G75-C140 WeakPolarHBondContact O-CB 3.5Å; G75-K141 PolarHBondContact N-O 3.46Å; G75-K141 PolarHBondContact O-N 3.39Å
76S90.6Very high89.3Confident43 Ų4355.9 Ų55.930%0.30130%0.295SS..EExtended strand (participates in β ladder)trans60.247.2179.8-530000113.3L138 H139S76-L138 WeakPolarHBondContact O-CB 3.43Å; S76-H139 WeakPolarHBondContact CB-O 3.33Å
77L91.4Very high91Very high2 Ų253.7 Ų53.71%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-102.5154174.5-59.5172.1000110.9V74 I81 V86 S111 A113 I135 C140V74-L77 HydrophobicContact CB-CD1 4.32Å; V74-L77 HydrophobicContact CG1-CD1 3.98Å; V74-L77 HydrophobicContact CG1-CD2 4.01Å; V74-L77 HydrophobicContact CG1-CG 4.16Å; L77-I81 HydrophobicContact CB-CB 4.34Å; L77-I81 HydrophobicContact CB-CG2 3.89Å; L77-I81 HydrophobicContact CD1-CG2 4.23Å; L77-V86 HydrophobicContact CD1-CG2 4.38Å; L77-S111 WeakPolarHBondContact CB-O 3.24Å; L77-S111 PolarHBondContact N-O 2.95Å; L77-S111 PolarHBondContact O-N 3.46Å; L77-A113 HydrophobicContact CD1-CB 3.71Å; L77-I135 HydrophobicContact CD2-CB 4.2Å; L77-I135 HydrophobicContact CD2-CD1 3.91Å; L77-I135 HydrophobicContact CD2-CG2 4.29Å; L77-C140 HydrophobicContact CD2-CB 3.86Å
78E89.8Confident91.8Very high39 Ų3951.4 Ų51.418%0.18227%0.274CS..  trans-64.9148.6175.3-66.5176.4-159.900110.7D80 I81 S111 R136 S137 L138E78-D80 VanDerWaalsContact CB-OD1 3.25Å; E78-D80 WeakPolarHBondContact CB-OD1 3.4Å; E78-D80 PolarHBondContact O-N 3.02Å; E78-I81 WeakPolarHBondContact O-CB 3.48Å; E78-I81 WeakPolarHBondContact O-CG2 3.25Å; E78-I81 PolarHBondContact O-N 3.01Å; E78-I81 VanDerWaalsContact O-N 3.14Å; E78-S111 WeakPolarHBondContact O-CB 3.29Å; E78-R136 VanDerWaalsContact OE1-CB 3.3Å; E78-R136 WeakPolarHBondContact OE1-CB 3.19Å; E78-R136 WeakPolarHBondContact OE2-CD 3.33Å; E78-R136 IonicContact OE2-CZ 3.83Å; E78-R136 IonicContact OE2-NE 3.32Å; E78-R136 IonicContact OE2-NH1 3.66Å; E78-R136 PolarHBondContact OE2-NH1 2.9Å; E78-S137 PolarHBondContact OE1-N 3.3Å; E78-L138 HydrophobicContact CB-CD1 4.44Å; E78-L138 HydrophobicContact CG-CD1 3.58Å; E78-L138 HydrophobicContact CG-CG 3.88Å
79P87.7Confident92.1Very high77 Ų7750.5 Ų50.550%0.527%0.266SS..THydrogen-bonded Turntrans-65.6-20.4-175.426.3-34.8000115.1R103 S111P79-R103 PolarHBondContact O-NE 3.09Å; P79-S111 WeakPolarHBondContact CA-OG 3.32Å
80D87.7Confident92.3Very high85 Ų8549.6 Ų49.646%0.45526%0.261SS..THydrogen-bonded Turntrans-96.12.5178.268.8-36.4000113.1E78 T82 R136E78-D80 VanDerWaalsContact CB-OD1 3.25Å; E78-D80 WeakPolarHBondContact CB-OD1 3.4Å; E78-D80 PolarHBondContact O-N 3.02Å; D80-T82 PolarHBondContact O-N 3.28Å; D80-R136 IonicContact OD1-NH1 2.9Å; D80-R136 PolarHBondContact OD1-NH1 3.45Å; D80-R136 VanDerWaalsContact OD1-NH1 3.1Å; D80-R136 IonicContact OD2-CZ 3.34Å; D80-R136 IonicContact OD2-NH1 2.87Å; D80-R136 PolarHBondContact OD2-NH1 3.04Å; D80-R136 IonicContact OD2-NH2 2.79Å
81I90.3Very high92.4Very high15 Ų1551 Ų518%0.07727%0.27CS..  trans-56123.7-178.9-166.171.5000111.5L77 E78 E85 V86 N101 I135L77-I81 HydrophobicContact CB-CB 4.34Å; L77-I81 HydrophobicContact CB-CG2 3.89Å; L77-I81 HydrophobicContact CD1-CG2 4.23Å; E78-I81 WeakPolarHBondContact O-CB 3.48Å; E78-I81 WeakPolarHBondContact O-CG2 3.25Å; E78-I81 PolarHBondContact O-N 3.01Å; E78-I81 VanDerWaalsContact O-N 3.14Å; I81-E85 HydrophobicContact CD1-CB 3.7Å; I81-E85 HydrophobicContact CD1-CG 4.49Å; I81-E85 HydrophobicContact CG1-CB 4.44Å; I81-V86 HydrophobicContact CG1-CG2 3.74Å; I81-N101 PolarHBondContact O-ND2 2.79Å; I81-I135 HydrophobicContact CD1-CG2 3.71Å
82T92.8Very high92.4Very high65 Ų6558 Ų5840%0.39929%0.292SS..  trans-88.1155.6-179.164.50000111.6D80 K84 E85 V86D80-T82 PolarHBondContact O-N 3.28Å; T82-K84 PolarHBondContact O-N 2.8Å; T82-E85 PolarHBondContact N-OE2 3.43Å; T82-E85 PolarHBondContact O-N 2.8Å; T82-E85 VanDerWaalsContact OG1-CG 3.31Å; T82-E85 WeakPolarHBondContact OG1-CG 3.48Å; T82-E85 PolarHBondContact OG1-N 3.18Å; T82-E85 PolarHBondContact OG1-OE2 3.01Å; T82-V86 PolarHBondContact O-N 3.14Å
83K93.9Very high92.4Very high124 Ų12459.3 Ų59.354%0.53930%0.297SS..Hα-helixtrans-57.2-32.6172.2-174.1174.6175.1-179.20111.7L87 I99 N101K83-L87 VanDerWaalsContact O-CB 3.32Å; K83-L87 WeakPolarHBondContact O-CB 3.45Å; K83-L87 PolarHBondContact O-N 2.91Å; K83-I99 HydrophobicContact CD-CB 4.25Å; K83-I99 WeakPolarHBondContact CE-O 3.32Å; K83-I99 HydrophobicContact CG-CB 3.84Å; K83-I99 HydrophobicContact CG-CD1 4.23Å; K83-I99 HydrophobicContact CG-CG2 3.93Å; K83-N101 PolarHBondContact N-ND2 2.83Å
84K94.5Very high92.4Very high174 Ų17456.5 Ų56.576%0.75729%0.29SS*.Hα-helixtrans-67.1-42.7178.1-69-175.4178.7179.40112.2T82 L87 S88T82-K84 PolarHBondContact O-N 2.8Å; K84-L87 WeakPolarHBondContact O-CB 3.47Å; K84-L87 PolarHBondContact O-N 2.94Å; K84-S88 WeakPolarHBondContact O-CB 3.35Å; K84-S88 PolarHBondContact O-N 3.05Å
85E93Very high92.4Very high55 Ų5562.8 Ų62.826%0.25732%0.315SS..Hα-helixtrans-67.4-41.6177.6-72.9165.9128.700111.9I81 T82 L87 S88 A89 R136I81-E85 HydrophobicContact CD1-CB 3.7Å; I81-E85 HydrophobicContact CD1-CG 4.49Å; I81-E85 HydrophobicContact CG1-CB 4.44Å; T82-E85 PolarHBondContact N-OE2 3.43Å; T82-E85 PolarHBondContact O-N 2.8Å; T82-E85 VanDerWaalsContact OG1-CG 3.31Å; T82-E85 WeakPolarHBondContact OG1-CG 3.48Å; T82-E85 PolarHBondContact OG1-N 3.18Å; T82-E85 PolarHBondContact OG1-OE2 3.01Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-S88 PolarHBondContact O-N 3.28Å; E85-A89 WeakPolarHBondContact O-CB 3.08Å; E85-A89 PolarHBondContact O-N 3.43Å; E85-R136 IonicContact OE1-CZ 2.73Å; E85-R136 IonicContact OE1-NE 3.1Å; E85-R136 PolarHBondContact OE1-NE 3.39Å; E85-R136 IonicContact OE1-NH2 3.6Å; E85-R136 PolarHBondContact OE1-NH2 3Å; E85-R136 IonicContact OE2-NH2 3.58Å
86V93.9Very high92.6Very high0 Ų063.2 Ų63.20%032%0.315CS..Hα-helixtrans-61.3-45.2172.5-179.80000109.9L77 I81 T82 S88 A89 F90 I99 A113 V115L77-V86 HydrophobicContact CD1-CG2 4.38Å; I81-V86 HydrophobicContact CG1-CG2 3.74Å; T82-V86 PolarHBondContact O-N 3.14Å; V86-S88 PolarHBondContact O-N 3.16Å; V86-A89 PolarHBondContact O-N 3.31Å; V86-F90 HydrophobicContact CG1-CD2 3.78Å; V86-F90 HydrophobicContact CG1-CE2 4.1Å; V86-F90 VanDerWaalsContact O-CD2 3.24Å; V86-F90 WeakPolarHBondContact O-CD2 3.4Å; V86-F90 PolarHBondContact O-N 3.34Å; V86-F90 VanDerWaalsContact O-N 3.16Å; V86-I99 HydrophobicContact CB-CG2 4.21Å; V86-I99 HydrophobicContact CG1-CD1 4.29Å; V86-I99 HydrophobicContact CG1-CG2 3.86Å; V86-A113 HydrophobicContact CG1-CB 4.1Å; V86-A113 HydrophobicContact CG2-CB 4.14Å; V86-V115 HydrophobicContact CG1-CG2 3.66Å
87L94.7Very high92.8Very high63 Ų6365.5 Ų65.533%0.3332%0.321SS..Hα-helixtrans-57.5-50.9176.8-17763.4000111.1K83 K84 E85 A89 F90 E91 V96 I99K83-L87 VanDerWaalsContact O-CB 3.32Å; K83-L87 WeakPolarHBondContact O-CB 3.45Å; K83-L87 PolarHBondContact O-N 2.91Å; K84-L87 WeakPolarHBondContact O-CB 3.47Å; K84-L87 PolarHBondContact O-N 2.94Å; E85-L87 VanDerWaalsContact C-N 3.33Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 3.16Å; L87-F90 PolarHBondContact O-N 3.03Å; L87-E91 HydrophobicContact CD1-CB 4.17Å; L87-E91 HydrophobicContact CG-CB 4.42Å; L87-E91 VanDerWaalsContact O-CB 3.24Å; L87-E91 WeakPolarHBondContact O-CB 3.05Å; L87-E91 VanDerWaalsContact O-CG 3.29Å; L87-E91 WeakPolarHBondContact O-CG 3.35Å; L87-E91 PolarHBondContact O-N 2.77Å; L87-V96 HydrophobicContact CD1-CB 3.88Å; L87-V96 HydrophobicContact CD1-CG1 4.23Å; L87-V96 HydrophobicContact CD1-CG2 4.23Å; L87-I99 HydrophobicContact CB-CD1 3.55Å; L87-I99 HydrophobicContact CD1-CD1 3.8Å; L87-I99 HydrophobicContact CG-CD1 4.26Å
88S93.2Very high92.9Very high75 Ų7571.3 Ų71.352%0.52435%0.348SS..Hα-helixtrans-60.6-35.6-178.8-169.50000113.2K84 E85 V86 E91K84-S88 WeakPolarHBondContact O-CB 3.35Å; K84-S88 PolarHBondContact O-N 3.05Å; E85-S88 PolarHBondContact O-N 3.28Å; V86-S88 PolarHBondContact O-N 3.16Å; S88-E91 WeakPolarHBondContact CA-OE1 3.38Å
89A92.3Very high93.2Very high19 Ų1970 Ų7016%0.15734%0.342CS..Hα-helixtrans-68-34.4175.600000113.1E85 V86 L87 Y93 I135E85-A89 WeakPolarHBondContact O-CB 3.08Å; E85-A89 PolarHBondContact O-N 3.43Å; V86-A89 PolarHBondContact O-N 3.31Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 3.16Å; A89-Y93 VanDerWaalsContact O-CE2 3.29Å; A89-Y93 WeakPolarHBondContact O-CE2 3.5Å; A89-I135 HydrophobicContact CB-CD1 3.91Å; A89-I135 HydrophobicContact CB-CG1 4.07Å
90F94.3Very high93.5Very high0 Ų070.5 Ų70.50%034%0.341CS..Hα-helixtrans-105.6-25.3-169.6-76.2-74.1000115L72 V74 V86 L87 R92 Y93 V96 V115 F117 A126 M130 I135 K142L72-F90 HydrophobicContact CD1-CE1 4.39Å; V74-F90 HydrophobicContact CB-CE2 4.46Å; V74-F90 HydrophobicContact CB-CZ 4.35Å; V74-F90 HydrophobicContact CG1-CE2 4.11Å; V74-F90 HydrophobicContact CG1-CZ 3.99Å; V74-F90 HydrophobicContact CG2-CE1 4.26Å; V74-F90 HydrophobicContact CG2-CE2 3.68Å; V74-F90 HydrophobicContact CG2-CZ 3.4Å; V74-F90 VanDerWaalsContact CG2-CZ 3.4Å; V86-F90 HydrophobicContact CG1-CD2 3.78Å; V86-F90 HydrophobicContact CG1-CE2 4.1Å; V86-F90 VanDerWaalsContact O-CD2 3.24Å; V86-F90 WeakPolarHBondContact O-CD2 3.4Å; V86-F90 PolarHBondContact O-N 3.34Å; V86-F90 VanDerWaalsContact O-N 3.16Å; L87-F90 PolarHBondContact O-N 3.03Å; F90-R92 PolarHBondContact O-N 2.77Å; F90-Y93 PolarHBondContact O-N 2.79Å; F90-Y93 VanDerWaalsContact O-N 3.08Å; F90-V96 HydrophobicContact CB-CG2 4.27Å; F90-V115 HydrophobicContact CB-CG1 4.28Å; F90-V115 HydrophobicContact CD2-CG2 4.03Å; F90-V115 HydrophobicContact CE2-CG2 4.32Å; F90-V115 HydrophobicContact CG-CG1 4.44Å; F90-V115 HydrophobicContact CG-CG2 4.42Å; F90-F117 HydrophobicContact CB-CZ 3.96Å; F90-F117 AromaticContact CD1-CZ 3.96Å; F90-F117 HydrophobicContact CD1-CZ 3.96Å; F90-F117 HydrophobicContact CG-CZ 4.32Å; F90-A126 HydrophobicContact CD1-CB 4.1Å; F90-M130 HydrophobicContact CE1-CB 4.36Å; F90-M130 HydrophobicContact CE1-CG 4.25Å; F90-M130 HydrophobicContact CZ-CG 4.35Å; F90-I135 HydrophobicContact CE2-CD1 3.95Å; F90-I135 HydrophobicContact CZ-CD1 4.48Å; F90-K142 HydrophobicContact CZ-CG 4.36Å
91E94.1Very high93.8Very high104 Ų10468.8 Ų68.849%0.48633%0.332SS..G310 helixtrans-61.7-26.8-176.868.7-174.6160.600113L87 S88 Y93 G94L87-E91 HydrophobicContact CD1-CB 4.17Å; L87-E91 HydrophobicContact CG-CB 4.42Å; L87-E91 VanDerWaalsContact O-CB 3.24Å; L87-E91 WeakPolarHBondContact O-CB 3.05Å; L87-E91 VanDerWaalsContact O-CG 3.29Å; L87-E91 WeakPolarHBondContact O-CG 3.35Å; L87-E91 PolarHBondContact O-N 2.77Å; S88-E91 WeakPolarHBondContact CA-OE1 3.38Å; E91-Y93 PolarHBondContact O-N 2.87Å; E91-G94 CarbonylContact C-O 3.59Å; E91-G94 PolarHBondContact O-N 2.81Å
92R93.3Very high93.8Very high190 Ų19073.5 Ų73.572%0.71735%0.352SS*.G310 helixtrans-66.2-18.9177.174.2-168.5-41.1-161.67114.4F90F90-R92 PolarHBondContact O-N 2.77Å
93Y93.9Very high93.6Very high29 Ų2978.8 Ų78.811%0.11436%0.364CS..G310 helixtrans-98.3-14.1-178.8-55.3-62.2000112.8A89 F90 E91 A126 M130A89-Y93 VanDerWaalsContact O-CE2 3.29Å; A89-Y93 WeakPolarHBondContact O-CE2 3.5Å; F90-Y93 PolarHBondContact O-N 2.79Å; F90-Y93 VanDerWaalsContact O-N 3.08Å; E91-Y93 PolarHBondContact O-N 2.87Å; Y93-A126 HydrophobicContact CD2-CB 4.02Å; Y93-A126 HydrophobicContact CG-CB 4.12Å; Y93-M130 HydrophobicContact CE2-CB 4.35Å; Y93-M130 HydrophobicContact CE2-SD 4.05Å
94G93.7Very high93.2Very high18 Ų1874.4 Ų74.419%0.18635%0.35CS..SBendtrans164.4178.4179.200000113.1E91 V96E91-G94 CarbonylContact C-O 3.59Å; E91-G94 PolarHBondContact O-N 2.81Å; G94-V96 PolarHBondContact O-N 3.1Å
95Y94.3Very high92.7Very high131 Ų13172 Ų7251%0.51435%0.351SS..  trans-76.3118.3-179.3-170.8-96.5000111.2E97 F117 R118 M122Y95-E97 HydrophobicContact CD1-CG 3.88Å; Y95-E97 HydrophobicContact CE1-CG 3.96Å; Y95-F117 WeakPolarHBondContact O-CA 3.17Å; Y95-R118 HydrophobicContact CD1-CB 4.2Å; Y95-R118 PolarHBondContact O-N 3.43Å; Y95-M122 PolarHBondContact N-SD 2.91Å
96V95.7Very high92.2Very high19 Ų1975.1 Ų75.112%0.11536%0.364CS..EExtended strand (participates in β ladder)trans-92.1118.6176.6-178.80000109.4L87 F90 G94 I99 V115 F117L87-V96 HydrophobicContact CD1-CB 3.88Å; L87-V96 HydrophobicContact CD1-CG1 4.23Å; L87-V96 HydrophobicContact CD1-CG2 4.23Å; F90-V96 HydrophobicContact CB-CG2 4.27Å; G94-V96 PolarHBondContact O-N 3.1Å; V96-I99 HydrophobicContact CG1-CD1 3.87Å; V96-I99 HydrophobicContact CG1-CG1 3.44Å; V96-I99 VanDerWaalsContact CG1-CG1 3.44Å; V96-V115 HydrophobicContact CB-CG1 4.43Å; V96-V115 HydrophobicContact CG1-CG1 3.63Å; V96-V115 HydrophobicContact CG2-CG1 3.92Å; V96-F117 HydrophobicContact CG2-CD1 4.11Å; V96-F117 HydrophobicContact CG2-CE1 3.74Å; V96-F117 HydrophobicContact CG2-CZ 4.22Å
97E93.8Very high91.6Very high91 Ų9181.5 Ų81.543%0.42541%0.406SS..EExtended strand (participates in β ladder)trans-86.8-38179.7-60.7-170.7148.400111.9R70 Y95 H116 R118R70-E97 IonicContact NH1-OE2 2.78Å; Y95-E97 HydrophobicContact CD1-CG 3.88Å; Y95-E97 HydrophobicContact CE1-CG 3.96Å; E97-H116 PolarHBondContact N-O 3.23Å; E97-H116 IonicContact OE2-CD2 3.86Å; E97-H116 PolarHBondContact OE2-CD2 3.18Å; E97-H116 VanDerWaalsContact OE2-CD2 3.32Å; E97-H116 IonicContact OE2-NE2 3.93Å; E97-R118 HydrophobicContact CG-CB 4.2Å; E97-R118 WeakPolarHBondContact OE1-CG 3.45Å; E97-R118 IonicContact OE1-NE 2.9Å
98Q94.2Very high90.9Very high125 Ų12582.7 Ų82.758%0.58443%0.433SS*.EExtended strand (participates in β ladder)trans-145.5140.9-177.5-162.4-179.93500111H116Q98-H116 HydrophobicContact CB-CB 3.88Å; Q98-H116 PolarHBondContact N-O 3.08Å; Q98-H116 PolarHBondContact O-N 3.32Å
99I95.6Very high90.4Very high10 Ų1080.1 Ų80.15%0.05142%0.419CS..EExtended strand (participates in β ladder)trans-128.9130.4168.2-57169000107.7K83 V86 L87 V96 N101 S114 V115K83-I99 HydrophobicContact CD-CB 4.25Å; K83-I99 WeakPolarHBondContact CE-O 3.32Å; K83-I99 HydrophobicContact CG-CB 3.84Å; K83-I99 HydrophobicContact CG-CD1 4.23Å; K83-I99 HydrophobicContact CG-CG2 3.93Å; V86-I99 HydrophobicContact CB-CG2 4.21Å; V86-I99 HydrophobicContact CG1-CD1 4.29Å; V86-I99 HydrophobicContact CG1-CG2 3.86Å; L87-I99 HydrophobicContact CB-CD1 3.55Å; L87-I99 HydrophobicContact CD1-CD1 3.8Å; L87-I99 HydrophobicContact CG-CD1 4.26Å; V96-I99 HydrophobicContact CG1-CD1 3.87Å; V96-I99 HydrophobicContact CG1-CG1 3.44Å; V96-I99 VanDerWaalsContact CG1-CG1 3.44Å; I99-N101 VanDerWaalsContact CG2-OD1 3.25Å; I99-N101 WeakPolarHBondContact CG2-OD1 3.27Å; I99-S114 WeakPolarHBondContact CA-O 3.36Å; I99-V115 HydrophobicContact CG1-CG1 4.38Å
100N94.5Very high90.3Very high89 Ų8983.2 Ų83.248%0.47643%0.432SS..EExtended strand (participates in β ladder)trans-127114.4175.1171.254.5000109.8A113 S114N100-A113 CarbonylContact O-C 3.54Å; N100-A113 WeakPolarHBondContact O-CA 3.3Å; N100-S114 WeakPolarHBondContact CB-OG 3.15Å; N100-S114 PolarHBondContact N-O 3.07Å; N100-S114 PolarHBondContact ND2-OG 2.79Å; N100-S114 PolarHBondContact O-N 3.28Å; N100-S114 PolarHBondContact O-OG 2.93Å
101N93.4Very high90.1Very high49 Ų4983.4 Ų83.426%0.26243%0.433SS..EExtended strand (participates in β ladder)trans-97.1134.3179-67.712.8000109I81 K83 I99 A113I81-N101 PolarHBondContact O-ND2 2.79Å; K83-N101 PolarHBondContact N-ND2 2.83Å; I99-N101 VanDerWaalsContact CG2-OD1 3.25Å; I99-N101 WeakPolarHBondContact CG2-OD1 3.27Å; N101-A113 WeakPolarHBondContact OD1-CB 3.32Å
102K91.8Very high90.1Very high114 Ų11481.1 Ų81.150%0.49642%0.421SS..EExtended strand (participates in β ladder)trans-138.2135.3176.5-179.3164.8169.7-175.60109.9Y112K102-Y112 HydrophobicContact CB-CD2 4.09Å; K102-Y112 HydrophobicContact CB-CE1 4.28Å; K102-Y112 HydrophobicContact CB-CE2 3.55Å; K102-Y112 HydrophobicContact CD-CE2 4.01Å; K102-Y112 WeakPolarHBondContact CD-OH 3.4Å; K102-Y112 WeakPolarHBondContact CE-OH 3.34Å; K102-Y112 HydrophobicContact CG-CE1 4.08Å; K102-Y112 HydrophobicContact CG-CE2 3.89Å; K102-Y112 VanDerWaalsContact CG-CZ 3.49Å; K102-Y112 WeakPolarHBondContact CG-OH 3.48Å; K102-Y112 PolarHBondContact N-O 2.7Å; K102-Y112 WeakPolarHBondContact O-CD1 3.38Å; K102-Y112 PolarHBondContact O-N 2.71Å
103R88.5Confident90.1Very high175 Ų17572 Ų7266%0.6639%0.386SS*.EExtended strand (participates in β ladder)trans-80.6142.5174.7-60.7-171.7177.7142.12.4109.3P79 S111P79-R103 PolarHBondContact O-NE 3.09Å; R103-S111 WeakPolarHBondContact CG-OG 3.49Å
104S85.4Confident90.2Very high33 Ų3372.2 Ų72.223%0.23139%0.392CS..  trans-61.2139.3169177.90000109.3K106 L110S104-K106 PolarHBondContact O-N 3.5Å; S104-K106 PolarHBondContact OG-N 3.28Å; S104-L110 WeakPolarHBondContact CB-O 3.15Å; S104-L110 PolarHBondContact N-O 3.43Å
105P82.4Confident90.3Very high122 Ų12271.3 Ų71.379%0.79238%0.383SS*.SBendtrans-68.9-11.8177.127.8-34.4000113
106K83.8Confident90.3Very high122 Ų12267 Ų6753%0.5337%0.367SS..SBendtrans-75.7135.6177.9-64.2-176.8179.9-179.60110.2S104 G108 G109S104-K106 PolarHBondContact O-N 3.5Å; S104-K106 PolarHBondContact OG-N 3.28Å; K106-G108 PolarHBondContact O-N 2.8Å; K106-G109 WeakPolarHBondContact O-CA 3.43Å; K106-G109 PolarHBondContact O-N 3.35Å
107P80Confident90.2Very high134 Ų13466 Ų6687%0.8736%0.361SS*.THydrogen-bonded Turntrans-60130.8172.125.9-32.7000109.6G109P107-G109 PolarHBondContact O-N 3.36Å
108G80.9Confident90.1Very high88 Ų8866.4 Ų66.491%0.90736%0.359SS*.THydrogen-bonded Turntrans69.48.7-172.800000114.7K106K106-G108 PolarHBondContact O-N 2.8Å
109G83.6Confident89.7Confident21 Ų2162.4 Ų62.422%0.21634%0.341CS..PPolyproline II helixtrans-70.8143.5178.600000112.5K106 P107K106-G109 WeakPolarHBondContact O-CA 3.43Å; K106-G109 PolarHBondContact O-N 3.35Å; P107-G109 PolarHBondContact O-N 3.36Å
110L88.7Confident89.5Confident83 Ų8364.5 Ų64.544%0.43536%0.355SS..PPolyproline II helixtrans-62.2147173.8-57.4176.7000110.9S104 L138S104-L110 WeakPolarHBondContact CB-O 3.15Å; S104-L110 PolarHBondContact N-O 3.43Å; L110-L138 HydrophobicContact CD2-CD1 3.85Å
111S91.6Very high89.3Confident5 Ų565.5 Ų65.54%0.03536%0.36CS..EExtended strand (participates in β ladder)trans-82.2164171.8-71.10000111.5L77 E78 P79 R103L77-S111 WeakPolarHBondContact CB-O 3.24Å; L77-S111 PolarHBondContact N-O 2.95Å; L77-S111 PolarHBondContact O-N 3.46Å; E78-S111 WeakPolarHBondContact O-CB 3.29Å; P79-S111 WeakPolarHBondContact CA-OG 3.32Å; R103-S111 WeakPolarHBondContact CG-OG 3.49Å
112Y92.8Very high89.4Confident55 Ų5565.2 Ų65.222%0.21636%0.358CS..EExtended strand (participates in β ladder)trans-139.2154.5174.757.9-90.2000110.7F73 V74 K102F73-Y112 HydrophobicContact CD2-CD2 4.35Å; F73-Y112 AromaticContact CE2-CD2 3.28Å; F73-Y112 HydrophobicContact CE2-CD2 3.28Å; F73-Y112 AromaticContact CE2-CE2 3.85Å; F73-Y112 HydrophobicContact CE2-CE2 3.85Å; F73-Y112 AromaticContact CE2-CG 3.82Å; F73-Y112 HydrophobicContact CE2-CG 3.82Å; F73-Y112 HydrophobicContact CZ-CD1 4.43Å; F73-Y112 AromaticContact CZ-CD2 3.63Å; F73-Y112 HydrophobicContact CZ-CD2 3.63Å; F73-Y112 HydrophobicContact CZ-CE2 4.33Å; F73-Y112 AromaticContact CZ-CG 3.63Å; F73-Y112 HydrophobicContact CZ-CG 3.63Å; V74-Y112 CarbonylContact O-C 3.54Å; V74-Y112 WeakPolarHBondContact O-CA 3.24Å; V74-Y112 WeakPolarHBondContact O-CB 3.29Å; K102-Y112 HydrophobicContact CB-CD2 4.09Å; K102-Y112 HydrophobicContact CB-CE1 4.28Å; K102-Y112 HydrophobicContact CB-CE2 3.55Å; K102-Y112 HydrophobicContact CD-CE2 4.01Å; K102-Y112 WeakPolarHBondContact CD-OH 3.4Å; K102-Y112 WeakPolarHBondContact CE-OH 3.34Å; K102-Y112 HydrophobicContact CG-CE1 4.08Å; K102-Y112 HydrophobicContact CG-CE2 3.89Å; K102-Y112 VanDerWaalsContact CG-CZ 3.49Å; K102-Y112 WeakPolarHBondContact CG-OH 3.48Å; K102-Y112 PolarHBondContact N-O 2.7Å; K102-Y112 WeakPolarHBondContact O-CD1 3.38Å; K102-Y112 PolarHBondContact O-N 2.71Å
113A94.2Very high89.4Confident0 Ų059.8 Ų59.80%033%0.334CS..EExtended strand (participates in β ladder)trans-126.7151.4176.500000109.9V74 L77 V86 N100 N101V74-A113 HydrophobicContact CB-CB 4.41Å; V74-A113 PolarHBondContact N-O 3.26Å; V74-A113 PolarHBondContact O-N 3.37Å; L77-A113 HydrophobicContact CD1-CB 3.71Å; V86-A113 HydrophobicContact CG1-CB 4.1Å; V86-A113 HydrophobicContact CG2-CB 4.14Å; N100-A113 CarbonylContact O-C 3.54Å; N100-A113 WeakPolarHBondContact O-CA 3.3Å; N101-A113 WeakPolarHBondContact OD1-CB 3.32Å
114S94.8Very high89.7Confident32 Ų3252.4 Ų52.422%0.22431%0.309CS..EExtended strand (participates in β ladder)trans-117.212616844.60000108.1L72 I99 N100L72-S114 CarbonylContact O-C 3.59Å; L72-S114 VanDerWaalsContact O-CA 3.3Å; L72-S114 WeakPolarHBondContact O-CA 3.35Å; I99-S114 WeakPolarHBondContact CA-O 3.36Å; N100-S114 WeakPolarHBondContact CB-OG 3.15Å; N100-S114 PolarHBondContact N-O 3.07Å; N100-S114 PolarHBondContact ND2-OG 2.79Å; N100-S114 PolarHBondContact O-N 3.28Å; N100-S114 PolarHBondContact O-OG 2.93Å
115V95.8Very high90Very high0 Ų057.9 Ų57.90%033%0.325CS..EExtended strand (participates in β ladder)trans-117.3114.4-175.1-1760000107.7T71 L72 V74 V86 F90 V96 I99 F117T71-V115 CarbonylContact C-O 3.46Å; T71-V115 WeakPolarHBondContact CA-O 3.35Å; L72-V115 PolarHBondContact N-O 3.34Å; L72-V115 PolarHBondContact O-N 3.37Å; V74-V115 HydrophobicContact CG2-CG2 4.12Å; V86-V115 HydrophobicContact CG1-CG2 3.66Å; F90-V115 HydrophobicContact CB-CG1 4.28Å; F90-V115 HydrophobicContact CD2-CG2 4.03Å; F90-V115 HydrophobicContact CE2-CG2 4.32Å; F90-V115 HydrophobicContact CG-CG1 4.44Å; F90-V115 HydrophobicContact CG-CG2 4.42Å; V96-V115 HydrophobicContact CB-CG1 4.43Å; V96-V115 HydrophobicContact CG1-CG1 3.63Å; V96-V115 HydrophobicContact CG2-CG1 3.92Å; I99-V115 HydrophobicContact CG1-CG1 4.38Å; V115-F117 HydrophobicContact CB-CE2 4.14Å; V115-F117 HydrophobicContact CG1-CD2 4.09Å; V115-F117 HydrophobicContact CG1-CE2 3.53Å; V115-F117 HydrophobicContact CG1-CZ 3.83Å
116H94.2Very high90.6Very high39 Ų3952.1 Ų52.118%0.18129%0.287CS..EExtended strand (participates in β ladder)trans-94.5115.8176.1-162.875.3000109.6T71 E97 Q98T71-H116 PolarHBondContact OG1-ND1 3.35Å; E97-H116 PolarHBondContact N-O 3.23Å; E97-H116 IonicContact OE2-CD2 3.86Å; E97-H116 PolarHBondContact OE2-CD2 3.18Å; E97-H116 VanDerWaalsContact OE2-CD2 3.32Å; E97-H116 IonicContact OE2-NE2 3.93Å; Q98-H116 HydrophobicContact CB-CB 3.88Å; Q98-H116 PolarHBondContact N-O 3.08Å; Q98-H116 PolarHBondContact O-N 3.32Å
117F94.9Very high91Very high0 Ų047.6 Ų47.60%027%0.268CS..EExtended strand (participates in β ladder)trans-91.4155.1174.1-71.2-89.4000111R70 L72 F90 Y95 V96 V115 N119 M122 A123 A126R70-F117 WeakPolarHBondContact CB-O 3.31Å; R70-F117 PolarHBondContact O-N 3.18Å; L72-F117 HydrophobicContact CB-CE2 4.39Å; L72-F117 HydrophobicContact CD1-CE2 3.8Å; L72-F117 HydrophobicContact CG-CD2 4.38Å; L72-F117 HydrophobicContact CG-CE2 4.04Å; F90-F117 HydrophobicContact CB-CZ 3.96Å; F90-F117 AromaticContact CD1-CZ 3.96Å; F90-F117 HydrophobicContact CD1-CZ 3.96Å; F90-F117 HydrophobicContact CG-CZ 4.32Å; Y95-F117 WeakPolarHBondContact O-CA 3.17Å; V96-F117 HydrophobicContact CG2-CD1 4.11Å; V96-F117 HydrophobicContact CG2-CE1 3.74Å; V96-F117 HydrophobicContact CG2-CZ 4.22Å; V115-F117 HydrophobicContact CB-CE2 4.14Å; V115-F117 HydrophobicContact CG1-CD2 4.09Å; V115-F117 HydrophobicContact CG1-CE2 3.53Å; V115-F117 HydrophobicContact CG1-CZ 3.83Å; F117-N119 VanDerWaalsContact C-N 3.31Å; F117-N119 PolarHBondContact O-N 3.42Å; F117-M122 HydrophobicContact CB-CB 4.05Å; F117-M122 HydrophobicContact CD1-CB 3.82Å; F117-M122 HydrophobicContact CG-CB 4.16Å; F117-A123 HydrophobicContact CB-CB 4.25Å; F117-A123 HydrophobicContact CD2-CB 3.75Å; F117-A123 HydrophobicContact CE2-CB 4.47Å; F117-A123 HydrophobicContact CG-CB 4.21Å; F117-A126 HydrophobicContact CE1-CB 4.17Å; F117-A126 HydrophobicContact CE2-CB 3.98Å; F117-A126 HydrophobicContact CZ-CB 3.52Å
118R90.7Very high91.5Very high99 Ų9947.5 Ų47.537%0.37426%0.257SS..SBendtrans-58.6-43174.1-171.4177.9-71.2179.1-0.4112.6R70 Y95 E97 M122R70-R118 WeakPolarHBondContact CD-O 3.45Å; Y95-R118 HydrophobicContact CD1-CB 4.2Å; Y95-R118 PolarHBondContact O-N 3.43Å; E97-R118 HydrophobicContact CG-CB 4.2Å; E97-R118 WeakPolarHBondContact OE1-CG 3.45Å; E97-R118 IonicContact OE1-NE 2.9Å; R118-M122 HydrophobicContact CB-SD 4.15Å
119N86.9Confident92Very high40 Ų4045.8 Ų45.821%0.21423%0.231CC..SBendtrans-122.8151.8-176.3-66.321.3000111.6F117 D121 M122 A123F117-N119 VanDerWaalsContact C-N 3.31Å; F117-N119 PolarHBondContact O-N 3.42Å; N119-D121 VanDerWaalsContact C-N 3.27Å; N119-D121 PolarHBondContact O-N 2.91Å; N119-M122 HydrophobicContact CB-CE 4.31Å; N119-M122 HydrophobicContact CB-CG 4.1Å; N119-M122 HydrophobicContact CB-SD 4.24Å; N119-M122 PolarHBondContact O-N 3.3Å; N119-A123 PolarHBondContact O-N 3.32Å
120V90.5Very high92.2Very high54 Ų5445.3 Ų45.333%0.32722%0.224SC..Hα-helixtrans-62.5-37.2173.3-179.80000110.6A68 R70 M122 A123 S124A68-V120 HydrophobicContact CB-CG1 3.61Å; R70-V120 HydrophobicContact CG-CG2 3.6Å; V120-M122 VanDerWaalsContact C-N 3.31Å; V120-M122 PolarHBondContact O-N 2.9Å; V120-A123 WeakPolarHBondContact O-CB 3.41Å; V120-A123 PolarHBondContact O-N 3.24Å; V120-A123 VanDerWaalsContact O-N 3.14Å; V120-S124 PolarHBondContact O-N 3.27Å; V120-S124 PolarHBondContact O-OG 2.73Å; V120-S124 VanDerWaalsContact O-OG 3.14Å
121D91Very high92.1Very high111 Ų11144.6 Ų44.659%0.59423%0.226SC*.Hα-helixtrans-62.9-36.9179.1-50.3-60.2000112.9N119 S124 R125N119-D121 VanDerWaalsContact C-N 3.27Å; N119-D121 PolarHBondContact O-N 2.91Å; D121-S124 PolarHBondContact O-N 2.68Å; D121-R125 VanDerWaalsContact O-CB 3.3Å; D121-R125 WeakPolarHBondContact O-CB 3.44Å; D121-R125 PolarHBondContact O-N 3.14Å
122M94.1Very high91.6Very high43 Ų4346.7 Ų46.721%0.21225%0.247CC..Hα-helixtrans-65.8-41.6175.9-66.5175.6-168.900110.7Y95 F117 R118 N119 V120 A126Y95-M122 PolarHBondContact N-SD 2.91Å; F117-M122 HydrophobicContact CB-CB 4.05Å; F117-M122 HydrophobicContact CD1-CB 3.82Å; F117-M122 HydrophobicContact CG-CB 4.16Å; R118-M122 HydrophobicContact CB-SD 4.15Å; N119-M122 HydrophobicContact CB-CE 4.31Å; N119-M122 HydrophobicContact CB-CG 4.1Å; N119-M122 HydrophobicContact CB-SD 4.24Å; N119-M122 PolarHBondContact O-N 3.3Å; V120-M122 VanDerWaalsContact C-N 3.31Å; V120-M122 PolarHBondContact O-N 2.9Å; M122-A126 VanDerWaalsContact O-CB 3.29Å; M122-A126 WeakPolarHBondContact O-CB 3.44Å; M122-A126 PolarHBondContact O-N 3Å
123A93.8Very high91.2Very high0 Ų051.5 Ų51.50%027%0.265CS..Hα-helixtrans-64.1-45.317400000111.6T69 L72 F117 N119 V120 R125 A126 K127T69-A123 WeakPolarHBondContact O-CB 3.36Å; L72-A123 WeakPolarHBondContact CD1-O 3.3Å; L72-A123 HydrophobicContact CD2-CB 4.21Å; L72-A123 HydrophobicContact CG-CB 4.01Å; F117-A123 HydrophobicContact CB-CB 4.25Å; F117-A123 HydrophobicContact CD2-CB 3.75Å; F117-A123 HydrophobicContact CE2-CB 4.47Å; F117-A123 HydrophobicContact CG-CB 4.21Å; N119-A123 PolarHBondContact O-N 3.32Å; V120-A123 WeakPolarHBondContact O-CB 3.41Å; V120-A123 PolarHBondContact O-N 3.24Å; V120-A123 VanDerWaalsContact O-N 3.14Å; A123-R125 PolarHBondContact O-N 2.84Å; A123-A126 PolarHBondContact O-N 3.14Å; A123-K127 PolarHBondContact O-N 2.87Å
124S93.1Very high90.7Very high20 Ų2057.7 Ų57.714%0.1429%0.292CS..Hα-helixtrans-59.5-46.6176.6-62.30000111.6V120 D121 A126 K127 M128 Y144V120-S124 PolarHBondContact O-N 3.27Å; V120-S124 PolarHBondContact O-OG 2.73Å; V120-S124 VanDerWaalsContact O-OG 3.14Å; D121-S124 PolarHBondContact O-N 2.68Å; S124-A126 PolarHBondContact O-N 3.31Å; S124-K127 PolarHBondContact O-N 3.28Å; S124-M128 VanDerWaalsContact O-CG 3.3Å; S124-M128 WeakPolarHBondContact O-CG 3.29Å; S124-M128 PolarHBondContact O-N 2.9Å; S124-Y144 PolarHBondContact OG-OH 2.85Å
125R93Very high90.2Very high148 Ų14856.8 Ų56.856%0.55829%0.285SS*.Hα-helixtrans-59.9-47.2175.4-173.5-176.8-61.5168.9-0.6111.4D121 A123 K127 M128 S129D121-R125 VanDerWaalsContact O-CB 3.3Å; D121-R125 WeakPolarHBondContact O-CB 3.44Å; D121-R125 PolarHBondContact O-N 3.14Å; A123-R125 PolarHBondContact O-N 2.84Å; R125-K127 PolarHBondContact O-N 3.44Å; R125-M128 PolarHBondContact O-N 3.49Å; R125-S129 WeakPolarHBondContact O-CB 3.07Å; R125-S129 PolarHBondContact O-N 3.46Å; R125-S129 PolarHBondContact O-OG 3.4Å; R125-S129 VanDerWaalsContact O-OG 3.11Å
126A93.7Very high89.7Confident0 Ų062.3 Ų62.30%031%0.306CS..Hα-helixtrans-60.4-42.1177.200000112.3L72 F90 Y93 F117 M122 A123 S124 M130L72-A126 HydrophobicContact CD1-CB 3.78Å; F90-A126 HydrophobicContact CD1-CB 4.1Å; Y93-A126 HydrophobicContact CD2-CB 4.02Å; Y93-A126 HydrophobicContact CG-CB 4.12Å; F117-A126 HydrophobicContact CE1-CB 4.17Å; F117-A126 HydrophobicContact CE2-CB 3.98Å; F117-A126 HydrophobicContact CZ-CB 3.52Å; M122-A126 VanDerWaalsContact O-CB 3.29Å; M122-A126 WeakPolarHBondContact O-CB 3.44Å; M122-A126 PolarHBondContact O-N 3Å; A123-A126 PolarHBondContact O-N 3.14Å; S124-A126 PolarHBondContact O-N 3.31Å; A126-M130 WeakPolarHBondContact O-CB 3.45Å; A126-M130 PolarHBondContact O-N 2.83Å
127K92.6Very high89.1Confident27 Ų2765.1 Ų65.112%0.11733%0.33CS..Hα-helixtrans-59.7-49.1175.1-176.7-168.7169.7-165.70110.8E65 L72 A123 S124 R125 S131 K142 Y144E65-K127 VanDerWaalsContact CG-NZ 3.35Å; E65-K127 IonicContact OE1-NZ 3.2Å; E65-K127 PolarHBondContact OE1-NZ 3.42Å; L72-K127 HydrophobicContact CD1-CB 4.31Å; L72-K127 HydrophobicContact CD2-CB 4.19Å; A123-K127 PolarHBondContact O-N 2.87Å; S124-K127 PolarHBondContact O-N 3.28Å; R125-K127 PolarHBondContact O-N 3.44Å; K127-S131 PolarHBondContact O-N 3.27Å; K127-S131 VanDerWaalsContact O-N 3.14Å; K127-S131 PolarHBondContact O-OG 3.29Å; K127-K142 HydrophobicContact CG-CB 4.4Å; K127-Y144 HydrophobicContact CD-CD2 4.49Å; K127-Y144 HydrophobicContact CD-CE1 4.29Å; K127-Y144 HydrophobicContact CD-CE2 3.92Å
128M91.3Very high88.6Confident133 Ų13367.5 Ų67.566%0.65534%0.342SS*.Hα-helixtrans-66.4-49.9-177.9-66.9166.7-167.500111.4S124 R125 M130 S131S124-M128 VanDerWaalsContact O-CG 3.3Å; S124-M128 WeakPolarHBondContact O-CG 3.29Å; S124-M128 PolarHBondContact O-N 2.9Å; R125-M128 PolarHBondContact O-N 3.49Å; M128-M130 PolarHBondContact O-N 3.27Å; M128-S131 PolarHBondContact O-N 3.34Å
129S90.7Very high88.3Confident51 Ų5167.3 Ų67.336%0.35735%0.346SS..Hα-helixtrans-71.9-28.9-175.9-59.60000113.8R125R125-S129 WeakPolarHBondContact O-CB 3.07Å; R125-S129 PolarHBondContact O-N 3.46Å; R125-S129 PolarHBondContact O-OG 3.4Å; R125-S129 VanDerWaalsContact O-OG 3.11Å
130M88.7Confident88.2Confident12 Ų1265.5 Ų65.56%0.05934%0.336CS..Hα-helixtrans-90.8-5.6178.1-153.563-163.900112.7F90 Y93 A126 M128 G132 R133 I135 K142F90-M130 HydrophobicContact CE1-CB 4.36Å; F90-M130 HydrophobicContact CE1-CG 4.25Å; F90-M130 HydrophobicContact CZ-CG 4.35Å; Y93-M130 HydrophobicContact CE2-CB 4.35Å; Y93-M130 HydrophobicContact CE2-SD 4.05Å; A126-M130 WeakPolarHBondContact O-CB 3.45Å; A126-M130 PolarHBondContact O-N 2.83Å; M128-M130 PolarHBondContact O-N 3.27Å; M130-G132 PolarHBondContact O-N 3Å; M130-R133 HydrophobicContact CE-CB 3.4Å; M130-R133 VanDerWaalsContact CE-CB 3.4Å; M130-R133 HydrophobicContact CE-CG 4.41Å; M130-R133 HydrophobicContact CG-CB 4.13Å; M130-R133 WeakPolarHBondContact O-CB 3.43Å; M130-R133 PolarHBondContact O-N 3.11Å; M130-R133 VanDerWaalsContact O-N 3.09Å; M130-R133 HydrophobicContact SD-CB 3.55Å; M130-R133 VanDerWaalsContact SD-CB 3.55Å; M130-R133 HydrophobicContact SD-CG 4.01Å; M130-I135 HydrophobicContact CE-CD1 4.3Å; M130-I135 HydrophobicContact CE-CG1 3.67Å; M130-K142 HydrophobicContact CB-CD 4.19Å; M130-K142 HydrophobicContact CG-CD 4.25Å; M130-K142 VanDerWaalsContact CG-CE 3.46Å; M130-K142 WeakPolarHBondContact O-CE 3.16Å; M130-K142 PolarHBondContact O-NZ 3.35Å
131S85.4Confident88.2Confident68 Ų6867.7 Ų67.748%0.47634%0.341SS..THydrogen-bonded Turntrans-62.9132.5172.3-70.40000110.1K127 M128 R133K127-S131 PolarHBondContact O-N 3.27Å; K127-S131 VanDerWaalsContact O-N 3.14Å; K127-S131 PolarHBondContact O-OG 3.29Å; M128-S131 PolarHBondContact O-N 3.34Å; S131-R133 PolarHBondContact O-N 3.24Å
132G82.5Confident88.2Confident48 Ų4863.1 Ų63.150%0.49532%0.316SS..THydrogen-bonded Turntrans77.1-3.6-174.300000115.1M130 H139M130-G132 PolarHBondContact O-N 3Å; G132-H139 VanDerWaalsContact CA-NE2 3.29Å; G132-H139 WeakPolarHBondContact CA-NE2 3.42Å; G132-H139 PolarHBondContact N-NE2 3.28Å
133R83.4Confident88.1Confident157 Ų15762.8 Ų62.859%0.59232%0.318SS*.  trans-93.7143.1178.8-60.4-67.9-179.4172.5-3.8111.8M130 S131 C140 K142M130-R133 HydrophobicContact CE-CB 3.4Å; M130-R133 VanDerWaalsContact CE-CB 3.4Å; M130-R133 HydrophobicContact CE-CG 4.41Å; M130-R133 HydrophobicContact CG-CB 4.13Å; M130-R133 WeakPolarHBondContact O-CB 3.43Å; M130-R133 PolarHBondContact O-N 3.11Å; M130-R133 VanDerWaalsContact O-N 3.09Å; M130-R133 HydrophobicContact SD-CB 3.55Å; M130-R133 VanDerWaalsContact SD-CB 3.55Å; M130-R133 HydrophobicContact SD-CG 4.01Å; S131-R133 PolarHBondContact O-N 3.24Å; R133-C140 PolarHBondContact O-SG 2.78Å; R133-K142 PolarHBondContact O-NZ 3.41Å
134F83.8Confident88Confident129 Ų12964.5 Ų64.557%0.56632%0.324SS*.EExtended strand (participates in β ladder)trans-91.2142.3176.2-58.8-95.2000110.1L138 H139F134-L138 WeakPolarHBondContact CA-O 3.45Å; F134-H139 HydrophobicContact CD1-CB 3.94Å; F134-H139 HydrophobicContact CE1-CB 3.69Å; F134-H139 HydrophobicContact CZ-CB 4.47Å
135I84.1Confident87.8Confident14 Ų1464 Ų647%0.07232%0.323CS..EExtended strand (participates in β ladder)trans-106.9113.5160.9-69.3170.6000104.6L77 I81 A89 F90 M130 S137 L138 C140L77-I135 HydrophobicContact CD2-CB 4.2Å; L77-I135 HydrophobicContact CD2-CD1 3.91Å; L77-I135 HydrophobicContact CD2-CG2 4.29Å; I81-I135 HydrophobicContact CD1-CG2 3.71Å; A89-I135 HydrophobicContact CB-CD1 3.91Å; A89-I135 HydrophobicContact CB-CG1 4.07Å; F90-I135 HydrophobicContact CE2-CD1 3.95Å; F90-I135 HydrophobicContact CZ-CD1 4.48Å; M130-I135 HydrophobicContact CE-CD1 4.3Å; M130-I135 HydrophobicContact CE-CG1 3.67Å; I135-S137 PolarHBondContact O-N 3.01Å; I135-L138 PolarHBondContact N-O 3.01Å; I135-L138 VanDerWaalsContact N-O 3.16Å; I135-L138 PolarHBondContact O-N 3.31Å; I135-C140 HydrophobicContact CD1-CB 4.38Å; I135-C140 VanDerWaalsContact CD1-SG 3.53Å; I135-C140 WeakPolarHBondContact CG1-SG 3.34Å
136R85.4Confident87.5Confident116 Ų11666.5 Ų66.544%0.43834%0.337SS..THydrogen-bonded Turntrans58.8-124.7-169.6-57.3173136.8-1564.8110.9E78 D80 E85E78-R136 VanDerWaalsContact OE1-CB 3.3Å; E78-R136 WeakPolarHBondContact OE1-CB 3.19Å; E78-R136 WeakPolarHBondContact OE2-CD 3.33Å; E78-R136 IonicContact OE2-CZ 3.83Å; E78-R136 IonicContact OE2-NE 3.32Å; E78-R136 IonicContact OE2-NH1 3.66Å; E78-R136 PolarHBondContact OE2-NH1 2.9Å; D80-R136 IonicContact OD1-NH1 2.9Å; D80-R136 PolarHBondContact OD1-NH1 3.45Å; D80-R136 VanDerWaalsContact OD1-NH1 3.1Å; D80-R136 IonicContact OD2-CZ 3.34Å; D80-R136 IonicContact OD2-NH1 2.87Å; D80-R136 PolarHBondContact OD2-NH1 3.04Å; D80-R136 IonicContact OD2-NH2 2.79Å; E85-R136 IonicContact OE1-CZ 2.73Å; E85-R136 IonicContact OE1-NE 3.1Å; E85-R136 PolarHBondContact OE1-NE 3.39Å; E85-R136 IonicContact OE1-NH2 3.6Å; E85-R136 PolarHBondContact OE1-NH2 3Å; E85-R136 IonicContact OE2-NH2 3.58Å
137S82.8Confident87.1Confident97 Ų9769.1 Ų69.168%0.67835%0.354SS*.THydrogen-bonded Turntrans-88.6-19.6-177.9-172.30000113.3E78 I135E78-S137 PolarHBondContact OE1-N 3.3Å; I135-S137 PolarHBondContact O-N 3.01Å
138L84.3Confident86.6Confident51 Ų5174.5 Ų74.527%0.26738%0.382SS..EExtended strand (participates in β ladder)trans-96.6139.4-171.2-61.1-176.7000113.6S76 E78 L110 F134 I135 C140S76-L138 WeakPolarHBondContact O-CB 3.43Å; E78-L138 HydrophobicContact CB-CD1 4.44Å; E78-L138 HydrophobicContact CG-CD1 3.58Å; E78-L138 HydrophobicContact CG-CG 3.88Å; L110-L138 HydrophobicContact CD2-CD1 3.85Å; F134-L138 WeakPolarHBondContact CA-O 3.45Å; I135-L138 PolarHBondContact N-O 3.01Å; I135-L138 VanDerWaalsContact N-O 3.16Å; I135-L138 PolarHBondContact O-N 3.31Å; L138-C140 PolarHBondContact O-N 3.42Å
139H83.8Confident86.2Confident95 Ų9574 Ų7444%0.4439%0.388SS..EExtended strand (participates in β ladder)trans-75.9102.7170.3-174.6-104.2000109.5S76 G132 F134S76-H139 WeakPolarHBondContact CB-O 3.33Å; G132-H139 VanDerWaalsContact CA-NE2 3.29Å; G132-H139 WeakPolarHBondContact CA-NE2 3.42Å; G132-H139 PolarHBondContact N-NE2 3.28Å; F134-H139 HydrophobicContact CD1-CB 3.94Å; F134-H139 HydrophobicContact CE1-CB 3.69Å; F134-H139 HydrophobicContact CZ-CB 4.47Å
140C85.5Confident85.9Confident1 Ų175.4 Ų75.41%0.00740%0.399CS..  trans-75.4137.2-178.841.30000111.6V74 G75 L77 R133 I135 L138 K142V74-C140 HydrophobicContact CG1-CB 3.95Å; G75-C140 CarbonylContact O-C 3.53Å; G75-C140 VanDerWaalsContact O-CA 3.27Å; G75-C140 WeakPolarHBondContact O-CA 3.29Å; G75-C140 WeakPolarHBondContact O-CB 3.5Å; L77-C140 HydrophobicContact CD2-CB 3.86Å; R133-C140 PolarHBondContact O-SG 2.78Å; I135-C140 HydrophobicContact CD1-CB 4.38Å; I135-C140 VanDerWaalsContact CD1-SG 3.53Å; I135-C140 WeakPolarHBondContact CG1-SG 3.34Å; L138-C140 PolarHBondContact O-N 3.42Å; C140-K142 WeakPolarHBondContact O-CD 3.35Å; C140-K142 WeakPolarHBondContact O-CE 3.3Å; C140-K142 PolarHBondContact O-NZ 3.14Å; C140-K142 WeakPolarHBondContact SG-CE 3.24Å; C140-K142 PolarHBondContact SG-NZ 3.3Å
141K89.4Confident85.8Confident101 Ų10179.2 Ų79.244%0.43942%0.416SS..EExtended strand (participates in β ladder)trans-92.5132173.8-178168.1-178.8163.30109.1D61 V74 G75D61-K141 IonicContact OD1-NZ 2.75Å; D61-K141 IonicContact OD2-NZ 3.7Å; D61-K141 PolarHBondContact OD2-NZ 3.42Å; V74-K141 CarbonylContact C-O 3.55Å; V74-K141 WeakPolarHBondContact CA-O 3.05Å; G75-K141 PolarHBondContact N-O 3.46Å; G75-K141 PolarHBondContact O-N 3.39Å
142K90.7Very high86Confident15 Ų1584.5 Ų84.57%0.06543%0.426CS..EExtended strand (participates in β ladder)trans-117.5125.1-179.9-58.490.9-169.9177.90109.6F73 F90 K127 M130 R133 C140F73-K142 WeakPolarHBondContact O-CA 3.43Å; F90-K142 HydrophobicContact CZ-CG 4.36Å; K127-K142 HydrophobicContact CG-CB 4.4Å; M130-K142 HydrophobicContact CB-CD 4.19Å; M130-K142 HydrophobicContact CG-CD 4.25Å; M130-K142 VanDerWaalsContact CG-CE 3.46Å; M130-K142 WeakPolarHBondContact O-CE 3.16Å; M130-K142 PolarHBondContact O-NZ 3.35Å; R133-K142 PolarHBondContact O-NZ 3.41Å; C140-K142 WeakPolarHBondContact O-CD 3.35Å; C140-K142 WeakPolarHBondContact O-CE 3.3Å; C140-K142 PolarHBondContact O-NZ 3.14Å; C140-K142 WeakPolarHBondContact SG-CE 3.24Å; C140-K142 PolarHBondContact SG-NZ 3.3Å
143S92.1Very high86.3Confident36 Ų3685.7 Ų85.725%0.25242%0.421SS..EExtended strand (participates in β ladder)trans-132.7159.8174.564.30000110F73F73-S143 PolarHBondContact N-O 3.41Å; F73-S143 PolarHBondContact O-N 2.86Å
144Y92.6Very high86.5Confident35 Ų3581.5 Ų81.514%0.13741%0.405CS..EExtended strand (participates in β ladder)trans-64.4144.7168.1-64.1-62.8000110.1A68 L72 S124 K127A68-Y144 HydrophobicContact CB-CD1 4.32Å; A68-Y144 HydrophobicContact CB-CE1 3.85Å; A68-Y144 HydrophobicContact CB-CE2 4.13Å; L72-Y144 HydrophobicContact CD2-CD1 3.76Å; L72-Y144 HydrophobicContact CD2-CE1 4.04Å; S124-Y144 PolarHBondContact OG-OH 2.85Å; K127-Y144 HydrophobicContact CD-CD2 4.49Å; K127-Y144 HydrophobicContact CD-CE1 4.29Å; K127-Y144 HydrophobicContact CD-CE2 3.92Å
145G87.9Confident86.8Confident10 Ų1077 Ų7710%0.10339%0.387CS..PPolyproline II helixtrans-64.2157174.100000110.6T69 T71 V147T69-G145 PolarHBondContact OG1-N 3.31Å; T69-G145 PolarHBondContact OG1-O 3.41Å; T71-G145 WeakPolarHBondContact O-CA 3.3Å; T71-G145 PolarHBondContact O-N 2.88Å; G145-V147 PolarHBondContact O-N 2.9Å
146K87Confident86.9Confident200 Ų20078.2 Ų78.287%0.8740%0.402SS*.PPolyproline II helixtrans-57130.9172.7-68.3-174.7177.5-175.70108.9I148K146-I148 PolarHBondContact O-N 3.2Å
147V84.6Confident86.9Confident56 Ų5676 Ų7634%0.33942%0.415SS..PPolyproline II helixtrans-80.3117.8177.6-164.40000108.2K67 T69 G145K67-V147 HydrophobicContact CB-CG2 3.75Å; K67-V147 HydrophobicContact CD-CB 3.93Å; K67-V147 HydrophobicContact CD-CG1 4.23Å; K67-V147 HydrophobicContact CD-CG2 3.5Å; K67-V147 HydrophobicContact CG-CB 4.43Å; K67-V147 HydrophobicContact CG-CG2 3.62Å; T69-V147 HydrophobicContact CG2-CB 4.14Å; T69-V147 HydrophobicContact CG2-CG1 4.1Å; T69-V147 HydrophobicContact CG2-CG2 3.38Å; G145-V147 PolarHBondContact O-N 2.9Å
148I82.5Confident87.2Confident139 Ų13972 Ų7271%0.71339%0.386SS*.PPolyproline II helixtrans-95.1116.7173.9-56.6172.4000105.3K146 S150K146-I148 PolarHBondContact O-N 3.2Å; I148-S150 PolarHBondContact O-N 2.94Å
149P83.8Confident87.2Confident122 Ų12275.2 Ų75.279%0.79240%0.4SS*.PPolyproline II helixtrans-53.7130.3170-23.834.3000109.5
150S82.6Confident87Confident82 Ų8276.2 Ų76.257%0.57342%0.418SS*.  trans-136.4145.5178580000109.5I148 W152I148-S150 PolarHBondContact O-N 2.94Å; S150-W152 PolarHBondContact O-N 2.91Å; S150-W152 PolarHBondContact OG-O 3.4Å
151H88.1Confident86.9Confident92 Ų9284.4 Ų84.443%0.42645%0.449SS..SBendtrans-67.9-9.5168.9-63.9-65000112.7V192 Y193 S195H151-V192 HydrophobicContact CB-CG1 4.23Å; H151-V192 CarbonylContact O-C 3.52Å; H151-V192 VanDerWaalsContact O-CA 3.24Å; H151-V192 WeakPolarHBondContact O-CA 3.45Å; H151-Y193 VanDerWaalsContact CB-O 3.3Å; H151-Y193 WeakPolarHBondContact CB-O 3.32Å; H151-Y193 PolarHBondContact ND1-O 3.25Å; H151-Y193 PolarHBondContact O-N 2.97Å; H151-S195 VanDerWaalsContact CE1-CB 3.47Å; H151-S195 WeakPolarHBondContact CE1-CB 3.41Å; H151-S195 PolarHBondContact CE1-OG 3.17Å; H151-S195 PolarHBondContact NE2-OG 3.23Å
152W88.3Confident86.6Confident178 Ų17880.2 Ų80.267%0.67443%0.431SS*.EExtended strand (participates in β ladder)trans-98.5131-175.7-6527.1000109.9S150 A191 V192S150-W152 PolarHBondContact O-N 2.91Å; S150-W152 PolarHBondContact OG-O 3.4Å; W152-A191 CarbonylContact C-O 3.52Å; W152-A191 WeakPolarHBondContact CA-O 3.16Å; W152-V192 HydrophobicContact CD2-CG2 4.37Å; W152-V192 HydrophobicContact CG-CG2 4.11Å
153L88.9Confident86.3Confident74 Ų7482.1 Ų82.139%0.38745%0.446SS..EExtended strand (participates in β ladder)trans-121.6121178-176.466.7000109.5I155 I190 A191 Y193L153-I155 HydrophobicContact CD2-CD1 4.24Å; L153-I155 HydrophobicContact CD2-CG1 3.98Å; L153-I155 HydrophobicContact CG-CG1 3.97Å; L153-I190 WeakPolarHBondContact O-CA 3.26Å; L153-A191 HydrophobicContact CB-CB 4.37Å; L153-A191 PolarHBondContact N-O 3.11Å; L153-A191 PolarHBondContact O-N 3.48Å; L153-Y193 HydrophobicContact CB-CE2 4.17Å; L153-Y193 HydrophobicContact CD2-CE2 4.01Å
154Y87.7Confident85.9Confident69 Ų6984.3 Ų84.327%0.27146%0.458SS..EExtended strand (participates in β ladder)trans-92.8122.3170.4179.5-92.1000109.3Y188 I190Y154-Y188 HydrophobicContact CD2-CD2 4.49Å; Y154-Y188 AromaticContact CE2-CD2 3.68Å; Y154-Y188 HydrophobicContact CE2-CD2 3.68Å; Y154-Y188 HydrophobicContact CE2-CE2 4.49Å; Y154-Y188 AromaticContact CE2-CG 3.88Å; Y154-Y188 HydrophobicContact CE2-CG 3.88Å; Y154-Y188 WeakPolarHBondContact OH-CB 3.36Å; Y154-I190 HydrophobicContact CD2-CG1 4.27Å
155I89.8Confident85.6Confident34 Ų3487.5 Ų87.517%0.17448%0.478CS..EExtended strand (participates in β ladder)trans-113.6109.6-179.2-52.7151.2000106.7L153 L158 L171 Y188 A189 A191L153-I155 HydrophobicContact CD2-CD1 4.24Å; L153-I155 HydrophobicContact CD2-CG1 3.98Å; L153-I155 HydrophobicContact CG-CG1 3.97Å; I155-L158 HydrophobicContact CG2-CD2 3.8Å; I155-L158 HydrophobicContact CG2-CG 4.25Å; I155-L171 HydrophobicContact CD1-CD1 3.67Å; I155-L171 HydrophobicContact CD1-CD2 3.44Å; I155-L171 VanDerWaalsContact CD1-CD2 3.44Å; I155-L171 HydrophobicContact CD1-CG 4.18Å; I155-L171 HydrophobicContact CG1-CD2 4.49Å; I155-Y188 CarbonylContact O-C 3.59Å; I155-Y188 WeakPolarHBondContact O-CA 3.45Å; I155-Y188 WeakPolarHBondContact O-CB 3.31Å; I155-A189 HydrophobicContact CB-CB 4.37Å; I155-A189 HydrophobicContact CD1-CB 4.2Å; I155-A189 PolarHBondContact N-O 2.92Å; I155-A189 PolarHBondContact O-N 2.96Å; I155-A191 HydrophobicContact CD1-CB 4.16Å
156G86.6Confident85.6Confident39 Ų3988.4 Ų88.440%0.40248%0.482SS..EExtended strand (participates in β ladder)trans-98169.8173.600000111.9
157G85.9Confident85.8Confident69 Ų6979.1 Ų79.171%0.71144%0.442SS*.  trans7722.5175.300000113.8E159 K187G157-E159 PolarHBondContact O-N 3.4Å; G157-K187 PolarHBondContact N-O 3.5Å; G157-K187 VanDerWaalsContact N-O 3.14Å
158L88.5Confident86Confident13 Ų1378.2 Ų78.27%0.06844%0.437CS..  trans-73.7128.3174.3-58.6176.4000109.4I155 I162 L167 W182 K187 A189I155-L158 HydrophobicContact CG2-CD2 3.8Å; I155-L158 HydrophobicContact CG2-CG 4.25Å; L158-I162 HydrophobicContact CB-CD1 4.02Å; L158-I162 HydrophobicContact CD2-CD1 3.46Å; L158-I162 VanDerWaalsContact CD2-CD1 3.46Å; L158-I162 HydrophobicContact CG-CD1 4.34Å; L158-L167 HydrophobicContact CD1-CD2 3.91Å; L158-L167 HydrophobicContact CD2-CD1 3.98Å; L158-W182 VanDerWaalsContact CD1-CD1 3.47Å; L158-W182 HydrophobicContact CD1-CG 4.41Å; L158-K187 PolarHBondContact N-O 3.35Å; L158-K187 WeakPolarHBondContact O-CA 3.4Å; L158-A189 HydrophobicContact CD1-CB 3.49Å; L158-A189 VanDerWaalsContact CD1-CB 3.49Å
159E84.7Confident86.4Confident119 Ų11979.2 Ų79.256%0.55643%0.432SS*.  trans-100.2161.5178.6-71.7-175.7-165.600111G157 W161 I162G157-E159 PolarHBondContact O-N 3.4Å; E159-W161 HydrophobicContact CB-CG 4.23Å; E159-W161 PolarHBondContact O-N 3.21Å; E159-W161 VanDerWaalsContact O-N 3.12Å; E159-W161 PolarHBondContact OE2-NE1 3.26Å; E159-I162 PolarHBondContact O-N 2.87Å; E159-I162 VanDerWaalsContact O-N 3.13Å
160S80Confident86.7Confident116 Ų11676.7 Ų76.781%0.81141%0.411SS*.THydrogen-bonded Turntrans-66.1-14.5-174.354.90000114.4I162S160-I162 VanDerWaalsContact C-N 3.3Å
161W82.3Confident87.1Confident174 Ų17473.2 Ų73.266%0.65939%0.385SS*.THydrogen-bonded Turntrans-78.8-14.2176.858.2-102.2000113.2E159 S163E159-W161 HydrophobicContact CB-CG 4.23Å; E159-W161 PolarHBondContact O-N 3.21Å; E159-W161 VanDerWaalsContact O-N 3.12Å; E159-W161 PolarHBondContact OE2-NE1 3.26Å; W161-S163 PolarHBondContact O-N 2.76Å; W161-S163 VanDerWaalsContact O-N 3.17Å
162I84.8Confident87.2Confident13 Ų1372.1 Ų72.17%0.06739%0.388CS..  trans-70.8114.5176.9-61177.7000107.8L158 E159 S160 L167 M170 W182L158-I162 HydrophobicContact CB-CD1 4.02Å; L158-I162 HydrophobicContact CD2-CD1 3.46Å; L158-I162 VanDerWaalsContact CD2-CD1 3.46Å; L158-I162 HydrophobicContact CG-CD1 4.34Å; E159-I162 PolarHBondContact O-N 2.87Å; E159-I162 VanDerWaalsContact O-N 3.13Å; S160-I162 VanDerWaalsContact C-N 3.3Å; I162-L167 HydrophobicContact CG2-CB 3.63Å; I162-L167 HydrophobicContact CG2-CD1 4.29Å; I162-L167 HydrophobicContact CG2-CG 4.38Å; I162-M170 HydrophobicContact CG2-CE 4.45Å; I162-W182 HydrophobicContact CB-CZ2 4.29Å; I162-W182 HydrophobicContact CG2-CH2 4.31Å; I162-W182 HydrophobicContact CG2-CZ2 4.04Å; I162-W182 VanDerWaalsContact O-CH2 3.26Å; I162-W182 WeakPolarHBondContact O-CH2 3.48Å
163S83.2Confident87.3Confident55 Ų5571.8 Ų71.839%0.38539%0.387SS..  trans-78.2153.2178.764.50000112.1W161 D165 S166 L167W161-S163 PolarHBondContact O-N 2.76Å; W161-S163 VanDerWaalsContact O-N 3.17Å; S163-D165 PolarHBondContact O-N 3.29Å; S163-D165 VanDerWaalsContact O-N 3.12Å; S163-S166 PolarHBondContact N-OG 2.87Å; S163-S166 PolarHBondContact O-N 2.92Å; S163-S166 PolarHBondContact O-OG 3.14Å; S163-S166 VanDerWaalsContact OG-CB 3.28Å; S163-S166 WeakPolarHBondContact OG-CB 3.47Å; S163-S166 PolarHBondContact OG-N 2.87Å; S163-S166 PolarHBondContact OG-OG 3.32Å; S163-S166 VanDerWaalsContact OG-OG 3.11Å; S163-L167 PolarHBondContact O-N 2.79Å
164T83.3Confident87.4Confident81 Ų8174.8 Ų74.850%0.49740%0.397SS..THydrogen-bonded Turntrans-58.6-24.1177.1-45.30000114P168 W182T164-P168 WeakPolarHBondContact O-CD 3.24Å; T164-P168 WeakPolarHBondContact O-CG 3.3Å; T164-W182 HydrophobicContact CG2-CZ3 4.04Å
165D86.5Confident87.5Confident103 Ų10372.7 Ų72.755%0.55140%0.397SS*.THydrogen-bonded Turntrans-88.5-30.6176.5-60.9-84.1000112.9S163 R169S163-D165 PolarHBondContact O-N 3.29Å; S163-D165 VanDerWaalsContact O-N 3.12Å; D165-R169 VanDerWaalsContact C-CZ 3.45Å; D165-R169 VanDerWaalsContact C-NH2 3.3Å; D165-R169 WeakPolarHBondContact O-CG 3.41Å; D165-R169 PolarHBondContact O-NE 2.75Å; D165-R169 VanDerWaalsContact O-NE 3.11Å; D165-R169 PolarHBondContact O-NH1 2.84Å; D165-R169 PolarHBondContact O-NH2 2.9Å
166S89.4Confident87.5Confident29 Ų2977.5 Ų77.520%0.20342%0.419CS..Hα-helixtrans-79-39.9-175.569.90000112.9S163 R169 M170S163-S166 PolarHBondContact N-OG 2.87Å; S163-S166 PolarHBondContact O-N 2.92Å; S163-S166 PolarHBondContact O-OG 3.14Å; S163-S166 VanDerWaalsContact OG-CB 3.28Å; S163-S166 WeakPolarHBondContact OG-CB 3.47Å; S163-S166 PolarHBondContact OG-N 2.87Å; S163-S166 PolarHBondContact OG-OG 3.32Å; S163-S166 VanDerWaalsContact OG-OG 3.11Å; S166-R169 PolarHBondContact O-N 3.37Å; S166-M170 WeakPolarHBondContact O-CG 3.43Å; S166-M170 PolarHBondContact O-N 3.37Å
167L90.1Very high87.8Confident5 Ų577.2 Ų77.23%0.02641%0.407CS..Hα-helixtrans-61.1-52.6-178.7-175.665.5000112.7L158 I162 S163 R169 M170 L171 W182 A189L158-L167 HydrophobicContact CD1-CD2 3.91Å; L158-L167 HydrophobicContact CD2-CD1 3.98Å; I162-L167 HydrophobicContact CG2-CB 3.63Å; I162-L167 HydrophobicContact CG2-CD1 4.29Å; I162-L167 HydrophobicContact CG2-CG 4.38Å; S163-L167 PolarHBondContact O-N 2.79Å; L167-R169 VanDerWaalsContact C-N 3.31Å; L167-R169 PolarHBondContact O-N 3.06Å; L167-M170 HydrophobicContact CD1-CE 4.1Å; L167-M170 PolarHBondContact O-N 2.81Å; L167-M170 VanDerWaalsContact O-N 3.14Å; L167-L171 HydrophobicContact CD1-CD1 4.12Å; L167-L171 HydrophobicContact CD1-CG 4.23Å; L167-L171 HydrophobicContact CG-CD1 3.9Å; L167-L171 HydrophobicContact CG-CG 4.37Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å; L167-L171 PolarHBondContact O-N 3.12Å; L167-W182 HydrophobicContact CD2-CB 4.19Å; L167-W182 HydrophobicContact CD2-CD2 3.39Å; L167-W182 HydrophobicContact CD2-CE3 3.93Å; L167-W182 HydrophobicContact CD2-CG 3.56Å; L167-W182 HydrophobicContact CD2-CZ2 4.18Å; L167-A189 HydrophobicContact CD2-CB 4.09Å
168P88.9Confident88.1Confident37 Ų3778.4 Ų78.424%0.2440%0.401CS..Hα-helixtrans-59.9-42.3178.8-2032.5000111.5T164 M170 L171 S172 L177 L180T164-P168 WeakPolarHBondContact O-CD 3.24Å; T164-P168 WeakPolarHBondContact O-CG 3.3Å; P168-M170 VanDerWaalsContact C-N 3.31Å; P168-M170 PolarHBondContact O-N 2.98Å; P168-L171 CarbonylContact O-C 3.58Å; P168-L171 PolarHBondContact O-N 3.02Å; P168-S172 PolarHBondContact O-N 3.49Å; P168-S172 PolarHBondContact O-OG 3.13Å; P168-L177 HydrophobicContact CB-CD2 4.43Å; P168-L180 HydrophobicContact CB-CD2 4.13Å; P168-L180 HydrophobicContact CG-CD2 3.76Å
169R90.8Very high88.2Confident160 Ų16084.3 Ų84.360%0.60442%0.423SS*.Hα-helixtrans-57.7-42.4175.7-78.3-168.7-70.5-991.7112.6D165 S166 L167 L171D165-R169 VanDerWaalsContact C-CZ 3.45Å; D165-R169 VanDerWaalsContact C-NH2 3.3Å; D165-R169 WeakPolarHBondContact O-CG 3.41Å; D165-R169 PolarHBondContact O-NE 2.75Å; D165-R169 VanDerWaalsContact O-NE 3.11Å; D165-R169 PolarHBondContact O-NH1 2.84Å; D165-R169 PolarHBondContact O-NH2 2.9Å; S166-R169 PolarHBondContact O-N 3.37Å; L167-R169 VanDerWaalsContact C-N 3.31Å; L167-R169 PolarHBondContact O-N 3.06Å; R169-L171 VanDerWaalsContact C-N 3.32Å
170M91.3Very high88.5Confident68 Ų6880.7 Ų80.734%0.33541%0.408SS..Hα-helixtrans-66.4-36.7175.7-71.3-172.5-63.900112.1I162 S166 L167 P168 R173I162-M170 HydrophobicContact CG2-CE 4.45Å; S166-M170 WeakPolarHBondContact O-CG 3.43Å; S166-M170 PolarHBondContact O-N 3.37Å; L167-M170 HydrophobicContact CD1-CE 4.1Å; L167-M170 PolarHBondContact O-N 2.81Å; L167-M170 VanDerWaalsContact O-N 3.14Å; P168-M170 VanDerWaalsContact C-N 3.31Å; P168-M170 PolarHBondContact O-N 2.98Å; M170-R173 VanDerWaalsContact O-CG 3.28Å; M170-R173 WeakPolarHBondContact O-CG 3.49Å; M170-R173 PolarHBondContact O-NE 2.82Å
171L91.1Very high89.1Confident9 Ų977.2 Ų77.25%0.04738%0.38CS..Hα-helixtrans-76-31.2-178.1-69.1178.2000113.5I155 L167 P168 R169 R173 F174 L180 A191 Y193I155-L171 HydrophobicContact CD1-CD1 3.67Å; I155-L171 HydrophobicContact CD1-CD2 3.44Å; I155-L171 VanDerWaalsContact CD1-CD2 3.44Å; I155-L171 HydrophobicContact CD1-CG 4.18Å; I155-L171 HydrophobicContact CG1-CD2 4.49Å; L167-L171 HydrophobicContact CD1-CD1 4.12Å; L167-L171 HydrophobicContact CD1-CG 4.23Å; L167-L171 HydrophobicContact CG-CD1 3.9Å; L167-L171 HydrophobicContact CG-CG 4.37Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å; L167-L171 PolarHBondContact O-N 3.12Å; P168-L171 CarbonylContact O-C 3.58Å; P168-L171 PolarHBondContact O-N 3.02Å; R169-L171 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 3.49Å; L171-R173 VanDerWaalsContact O-N 3.1Å; L171-F174 HydrophobicContact CD2-CD2 4.38Å; L171-F174 HydrophobicContact CD2-CE2 4.42Å; L171-F174 PolarHBondContact O-N 2.64Å; L171-F174 VanDerWaalsContact O-N 3.09Å; L171-L180 HydrophobicContact CD1-CD1 3.66Å; L171-L180 HydrophobicContact CD1-CD2 4.27Å; L171-A191 HydrophobicContact CD1-CB 4.11Å; L171-Y193 WeakPolarHBondContact CB-OH 3.28Å; L171-Y193 WeakPolarHBondContact O-CE1 3.28Å; L171-Y193 PolarHBondContact O-OH 3.04Å
172S89.7Confident89.4Confident69 Ų6970.3 Ų70.348%0.48335%0.354SS..G310 helixtrans-61-16.5174.7-59.80000113.2P168 F174 G175P168-S172 PolarHBondContact O-N 3.49Å; P168-S172 PolarHBondContact O-OG 3.13Å; S172-F174 PolarHBondContact O-N 3.31Å; S172-G175 PolarHBondContact O-N 3.44Å
173R90.7Very high89.5Confident172 Ų17271.7 Ų71.765%0.64937%0.365SS*.G310 helixtrans-65.5-26.1174.592.317872.4-174.70.4113.1M170 L171 G175M170-R173 VanDerWaalsContact O-CG 3.28Å; M170-R173 WeakPolarHBondContact O-CG 3.49Å; M170-R173 PolarHBondContact O-NE 2.82Å; L171-R173 PolarHBondContact O-N 3.49Å; L171-R173 VanDerWaalsContact O-N 3.1Å; R173-G175 VanDerWaalsContact C-N 3.34Å
174F89.7Confident89.4Confident136 Ų13672.3 Ų72.360%0.59637%0.368SS*.G310 helixtrans-89.9-2.9-174.6-59.2-71.4000112.6L171 S172 Y193L171-F174 HydrophobicContact CD2-CD2 4.38Å; L171-F174 HydrophobicContact CD2-CE2 4.42Å; L171-F174 PolarHBondContact O-N 2.64Å; L171-F174 VanDerWaalsContact O-N 3.09Å; S172-F174 PolarHBondContact O-N 3.31Å; F174-Y193 HydrophobicContact CB-CE1 3.87Å
175G89.7Confident89.5Confident26 Ų2680.1 Ų80.127%0.26839%0.388SS..SBendtrans138.2-171.9-17800000112.1S172 R173 L177S172-G175 PolarHBondContact O-N 3.44Å; R173-G175 VanDerWaalsContact C-N 3.34Å; G175-L177 PolarHBondContact O-N 3.09Å
176Q91.4Very high89.4Confident135 Ų13579.8 Ų79.863%0.63138%0.379SS*.  trans-74.8115.3178.5-173.462.234.500110.4T178 Y193 D194Q176-T178 PolarHBondContact O-N 3.35Å; Q176-Y193 WeakPolarHBondContact O-CA 3.32Å; Q176-D194 HydrophobicContact CB-CB 4.36Å; Q176-D194 PolarHBondContact O-N 3.12Å
177L91.2Very high89.4Confident32 Ų3286.2 Ų86.217%0.16840%0.403CS..EExtended strand (participates in β ladder)trans-77.8110.7176-176.967.2000109.6P168 G175 Y179 L180 A191P168-L177 HydrophobicContact CB-CD2 4.43Å; G175-L177 PolarHBondContact O-N 3.09Å; L177-Y179 WeakPolarHBondContact CD1-O 3.41Å; L177-L180 HydrophobicContact CD1-CB 4.18Å; L177-L180 HydrophobicContact CD2-CB 3.8Å; L177-L180 HydrophobicContact CD2-CD2 3.95Å; L177-L180 HydrophobicContact CD2-CG 4.39Å; L177-L180 HydrophobicContact CG-CB 4.23Å; L177-A191 HydrophobicContact CD1-CB 3.73Å
178T91.9Very high89.3Confident95 Ų9590.2 Ų90.258%0.58342%0.419SS*.EExtended strand (participates in β ladder)trans-83.4-39.2177.7-47.60000111.5Q176 V192 D194Q176-T178 PolarHBondContact O-N 3.35Å; T178-V192 PolarHBondContact N-O 3.24Å; T178-D194 PolarHBondContact OG1-N 3.11Å
179Y91.4Very high89.4Confident136 Ų13688.5 Ų88.553%0.53341%0.407SS..EExtended strand (participates in β ladder)trans-148.8138.8-178.8177.5-104.8000110.6L177 D181 A191 V192L177-Y179 WeakPolarHBondContact CD1-O 3.41Å; Y179-D181 HydrophobicContact CE1-CB 3.73Å; Y179-A191 CarbonylContact O-C 3.46Å; Y179-A191 WeakPolarHBondContact O-CA 3.37Å; Y179-V192 HydrophobicContact CD1-CG2 4.03Å; Y179-V192 PolarHBondContact N-O 3.1Å; Y179-V192 PolarHBondContact O-N 3.34Å
180L92.2Very high89.4Confident44 Ų4483.1 Ų83.123%0.2339%0.39CS..EExtended strand (participates in β ladder)trans-134.7108175.217764.5000109.5P168 L171 L177 W182 A189 I190 A191P168-L180 HydrophobicContact CB-CD2 4.13Å; P168-L180 HydrophobicContact CG-CD2 3.76Å; L171-L180 HydrophobicContact CD1-CD1 3.66Å; L171-L180 HydrophobicContact CD1-CD2 4.27Å; L177-L180 HydrophobicContact CD1-CB 4.18Å; L177-L180 HydrophobicContact CD2-CB 3.8Å; L177-L180 HydrophobicContact CD2-CD2 3.95Å; L177-L180 HydrophobicContact CD2-CG 4.39Å; L177-L180 HydrophobicContact CG-CB 4.23Å; L180-W182 HydrophobicContact CD1-CB 4.25Å; L180-W182 HydrophobicContact CG-CB 4.19Å; L180-A189 HydrophobicContact CD1-CB 4.18Å; L180-I190 CarbonylContact C-O 3.54Å; L180-I190 WeakPolarHBondContact CA-O 2.98Å; L180-A191 HydrophobicContact CD1-CB 4.01Å
181D90.8Very high89.5Confident42 Ų4279.9 Ų79.923%0.22537%0.374CS..EExtended strand (participates in β ladder)trans-89.6101.6167.2-177.932.1000108.9Y179 R186 A189 I190Y179-D181 HydrophobicContact CE1-CB 3.73Å; D181-R186 IonicContact OD1-NH1 3.14Å; D181-R186 PolarHBondContact OD1-NH1 2.84Å; D181-R186 IonicContact OD2-NH1 2.82Å; D181-R186 PolarHBondContact OD2-NH1 3.04Å; D181-A189 WeakPolarHBondContact O-CA 3.09Å; D181-I190 HydrophobicContact CB-CB 4.34Å; D181-I190 PolarHBondContact N-O 2.95Å; D181-I190 PolarHBondContact O-N 3.14Å
182W90Very high89.6Confident29 Ų2980.5 Ų80.511%0.1138%0.378CS..  trans-148.4147.3173.217963.8000110.9L158 I162 T164 L167 L180 P184 A189L158-W182 VanDerWaalsContact CD1-CD1 3.47Å; L158-W182 HydrophobicContact CD1-CG 4.41Å; I162-W182 HydrophobicContact CB-CZ2 4.29Å; I162-W182 HydrophobicContact CG2-CH2 4.31Å; I162-W182 HydrophobicContact CG2-CZ2 4.04Å; I162-W182 VanDerWaalsContact O-CH2 3.26Å; I162-W182 WeakPolarHBondContact O-CH2 3.48Å; T164-W182 HydrophobicContact CG2-CZ3 4.04Å; L167-W182 HydrophobicContact CD2-CB 4.19Å; L167-W182 HydrophobicContact CD2-CD2 3.39Å; L167-W182 HydrophobicContact CD2-CE3 3.93Å; L167-W182 HydrophobicContact CD2-CG 3.56Å; L167-W182 HydrophobicContact CD2-CZ2 4.18Å; L180-W182 HydrophobicContact CD1-CB 4.25Å; L180-W182 HydrophobicContact CG-CB 4.19Å; W182-P184 HydrophobicContact CH2-CB 4.23Å; W182-P184 HydrophobicContact CH2-CG 3.91Å; W182-P184 HydrophobicContact CZ2-CB 4.49Å; W182-P184 HydrophobicContact CZ3-CG 3.95Å; W182-A189 HydrophobicContact CB-CB 3.71Å; W182-A189 HydrophobicContact CG-CB 3.85Å
183S85.8Confident89.7Confident42 Ų4278.5 Ų78.529%0.29436%0.36SS..  trans-133.9141.6170.1-48.70000108.1R185 R186S183-R185 PolarHBondContact O-N 3Å; S183-R186 WeakPolarHBondContact O-CA 3.36Å; S183-R186 WeakPolarHBondContact O-CB 3.35Å; S183-R186 PolarHBondContact O-N 3.36Å
184P82.5Confident89.6Confident69 Ų6975 Ų7545%0.44836%0.355SS..THydrogen-bonded Turntrans-56.7-23179.2-27.334.4000114.4W182W182-P184 HydrophobicContact CH2-CB 4.23Å; W182-P184 HydrophobicContact CH2-CG 3.91Å; W182-P184 HydrophobicContact CZ2-CB 4.49Å; W182-P184 HydrophobicContact CZ3-CG 3.95Å
185R84.1Confident89Confident244 Ų24472.1 Ų72.192%0.92135%0.351SS*.THydrogen-bonded Turntrans-80-13.4175.1-60.8-174.470.4-164.91.8113.8S183S183-R185 PolarHBondContact O-N 3Å
186R85.4Confident87.5Confident96 Ų9679.8 Ų79.836%0.36240%0.398SS..  trans-97135.4-179.2-67.1179.6-179.6-176.74.5109.8D181 S183 Y188D181-R186 IonicContact OD1-NH1 3.14Å; D181-R186 PolarHBondContact OD1-NH1 2.84Å; D181-R186 IonicContact OD2-NH1 2.82Å; D181-R186 PolarHBondContact OD2-NH1 3.04Å; S183-R186 WeakPolarHBondContact O-CA 3.36Å; S183-R186 WeakPolarHBondContact O-CB 3.35Å; S183-R186 PolarHBondContact O-N 3.36Å; R186-Y188 PolarHBondContact O-N 3.39Å
187K88.3Confident87.3Confident164 Ų16477 Ų7771%0.71339%0.387SS*.SBendtrans-82.28.4176.6-61.1-173.2177.1-173.90114.1G157 L158G157-K187 PolarHBondContact N-O 3.5Å; G157-K187 VanDerWaalsContact N-O 3.14Å; L158-K187 PolarHBondContact N-O 3.35Å; L158-K187 WeakPolarHBondContact O-CA 3.4Å
188Y88.7Confident87.1Confident90 Ų9079.4 Ų79.435%0.35340%0.398SS..EExtended strand (participates in β ladder)trans-145.1153.4179.566.8-91.3000110.7Y154 I155 R186Y154-Y188 HydrophobicContact CD2-CD2 4.49Å; Y154-Y188 AromaticContact CE2-CD2 3.68Å; Y154-Y188 HydrophobicContact CE2-CD2 3.68Å; Y154-Y188 HydrophobicContact CE2-CE2 4.49Å; Y154-Y188 AromaticContact CE2-CG 3.88Å; Y154-Y188 HydrophobicContact CE2-CG 3.88Å; Y154-Y188 WeakPolarHBondContact OH-CB 3.36Å; I155-Y188 CarbonylContact O-C 3.59Å; I155-Y188 WeakPolarHBondContact O-CA 3.45Å; I155-Y188 WeakPolarHBondContact O-CB 3.31Å; R186-Y188 PolarHBondContact O-N 3.39Å
189A91.2Very high86.8Confident0 Ų078.5 Ų78.50%039%0.388CS..EExtended strand (participates in β ladder)trans-129.6152.6174.100000110.3I155 L158 L167 L180 D181 W182I155-A189 HydrophobicContact CB-CB 4.37Å; I155-A189 HydrophobicContact CD1-CB 4.2Å; I155-A189 PolarHBondContact N-O 2.92Å; I155-A189 PolarHBondContact O-N 2.96Å; L158-A189 HydrophobicContact CD1-CB 3.49Å; L158-A189 VanDerWaalsContact CD1-CB 3.49Å; L167-A189 HydrophobicContact CD2-CB 4.09Å; L180-A189 HydrophobicContact CD1-CB 4.18Å; D181-A189 WeakPolarHBondContact O-CA 3.09Å; W182-A189 HydrophobicContact CB-CB 3.71Å; W182-A189 HydrophobicContact CG-CB 3.85Å
190I90.8Very high86.6Confident47 Ų4775.1 Ų75.124%0.24138%0.38CS..EExtended strand (participates in β ladder)trans-117.2117.5169.3-58.8171000107.4L153 Y154 L180 D181L153-I190 WeakPolarHBondContact O-CA 3.26Å; Y154-I190 HydrophobicContact CD2-CG1 4.27Å; L180-I190 CarbonylContact C-O 3.54Å; L180-I190 WeakPolarHBondContact CA-O 2.98Å; D181-I190 HydrophobicContact CB-CB 4.34Å; D181-I190 PolarHBondContact N-O 2.95Å; D181-I190 PolarHBondContact O-N 3.14Å
191A92.8Very high86.2Confident0 Ų077.1 Ų77.10%039%0.389CS..EExtended strand (participates in β ladder)trans-109.5137.6176.600000110W152 L153 I155 L171 L177 Y179 L180 Y193W152-A191 CarbonylContact C-O 3.52Å; W152-A191 WeakPolarHBondContact CA-O 3.16Å; L153-A191 HydrophobicContact CB-CB 4.37Å; L153-A191 PolarHBondContact N-O 3.11Å; L153-A191 PolarHBondContact O-N 3.48Å; I155-A191 HydrophobicContact CD1-CB 4.16Å; L171-A191 HydrophobicContact CD1-CB 4.11Å; L177-A191 HydrophobicContact CD1-CB 3.73Å; Y179-A191 CarbonylContact O-C 3.46Å; Y179-A191 WeakPolarHBondContact O-CA 3.37Å; L180-A191 HydrophobicContact CD1-CB 4.01Å; A191-Y193 HydrophobicContact CB-CE2 3.93Å
192V92.8Very high85.9Confident23 Ų2379.4 Ų79.414%0.13940%0.4CS..EExtended strand (participates in β ladder)trans-118.1127.3174.8-175.20000108.7H151 W152 T178 Y179H151-V192 HydrophobicContact CB-CG1 4.23Å; H151-V192 CarbonylContact O-C 3.52Å; H151-V192 VanDerWaalsContact O-CA 3.24Å; H151-V192 WeakPolarHBondContact O-CA 3.45Å; W152-V192 HydrophobicContact CD2-CG2 4.37Å; W152-V192 HydrophobicContact CG-CG2 4.11Å; T178-V192 PolarHBondContact N-O 3.24Å; Y179-V192 HydrophobicContact CD1-CG2 4.03Å; Y179-V192 PolarHBondContact N-O 3.1Å; Y179-V192 PolarHBondContact O-N 3.34Å
193Y92Very high85.6Confident27 Ų2783 Ų8311%0.10642%0.421CS..EExtended strand (participates in β ladder)trans-107.2151.9-179.2-69.3-87.5000111.6H151 L153 L171 F174 Q176 A191H151-Y193 VanDerWaalsContact CB-O 3.3Å; H151-Y193 WeakPolarHBondContact CB-O 3.32Å; H151-Y193 PolarHBondContact ND1-O 3.25Å; H151-Y193 PolarHBondContact O-N 2.97Å; L153-Y193 HydrophobicContact CB-CE2 4.17Å; L153-Y193 HydrophobicContact CD2-CE2 4.01Å; L171-Y193 WeakPolarHBondContact CB-OH 3.28Å; L171-Y193 WeakPolarHBondContact O-CE1 3.28Å; L171-Y193 PolarHBondContact O-OH 3.04Å; F174-Y193 HydrophobicContact CB-CE1 3.87Å; Q176-Y193 WeakPolarHBondContact O-CA 3.32Å; A191-Y193 HydrophobicContact CB-CE2 3.93Å
194D89Confident85.6Confident99 Ų9986.2 Ų86.253%0.52943%0.43SS..  trans-71.9158.4168.4-153.3-3.8000111.6Q176 T178 C196Q176-D194 HydrophobicContact CB-CB 4.36Å; Q176-D194 PolarHBondContact O-N 3.12Å; T178-D194 PolarHBondContact OG1-N 3.11Å; D194-C196 PolarHBondContact O-N 3.17Å
195S76.2Confident85.9Confident75 Ų7587.6 Ų87.652%0.52443%0.429SS..  trans-82110.7171.5-24.10000107.6H151H151-S195 VanDerWaalsContact CE1-CB 3.47Å; H151-S195 WeakPolarHBondContact CE1-CB 3.41Å; H151-S195 PolarHBondContact CE1-OG 3.17Å; H151-S195 PolarHBondContact NE2-OG 3.23Å
196C59.4Low86Confident186 Ų18673.4 Ų73.4100%1.25738%0.384SS*.  trans-78.90164.5-60.80000110.3D194D194-C196 PolarHBondContact O-N 3.17Å

Retrieved 196 of 196 residues in 49.3 ms (Link to these results)