G4VPZ4_SCHMA Loading...

Putative polyadenylate binding protein AlphaSync

AlphaFold DB , UniProt , Accession G4VPZ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 214 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
1M50.2Low60.7Low243 Ų243155.1 Ų155.1100%1.19783%0.833SS**  089.10-93.4170.6167.200108.5
2S59Low60.9Low105 Ų105150.7 Ų150.773%0.73482%0.815SS**  trans158.691.2151.154.80000106.5
3D59.6Low61.1Low150 Ų150151.2 Ų151.280%0.80281%0.808SS**  trans-69145.5176.2-59.3-56.5000111.1
4Y72.2Confident60.8Low223 Ų223152.9 Ų152.988%0.87581%0.809SS**  trans-119.4108.3157-88.3-88.2000107.3
5V65.7Low60.4Low112 Ų112151.9 Ų151.968%0.67980%0.804SS**  trans-111.7126.9167-1780000106.1
6L64.5Low60.3Low166 Ų166153.9 Ų153.987%0.86981%0.808SS**  trans-132.992.6172.8-120152.9000106
7D57.1Low59.7Low148 Ų148157.4 Ų157.479%0.79182%0.815SS**  trans-72.3141.5161.5-71-56.8000108.5
8G60.9Low59.2Low67 Ų67152.6 Ų152.669%0.69181%0.811SS**  trans-173.371.9-178.300000112
9D62.9Low58.7Low168 Ų168151.4 Ų151.490%0.89881%0.805SS**  trans43.6126.1143.6-56.5-40.6000121.6
10H53.4Low58.6Low152 Ų152153.1 Ų153.170%0.70481%0.808SS**  trans-73133.1174.4176.982000112.1V12H10-V12 WeakPolarHBondContact CE1-CG2 3.26Å
11D62.1Low58Low172 Ų172152.2 Ų152.292%0.9280%0.803SS**  trans-137.796.7154.5-95-41.8000107.5
12V63Low57.8Low102 Ų102144.2 Ų144.262%0.61878%0.784SS**  trans-104.2109.9165.9177.10000106.3H10 E14H10-V12 WeakPolarHBondContact CE1-CG2 3.26Å; V12-E14 PolarHBondContact O-N 2.94Å
13H63.5Low57.2Low157 Ų157148.5 Ų148.573%0.72779%0.789SS**  trans-78.9113.1174.7-157.9-43.2000108.6D15H13-D15 IonicContact CE1-OD1 3.1Å; H13-D15 PolarHBondContact CE1-OD1 3.39Å; H13-D15 IonicContact ND1-OD1 3.97Å; H13-D15 PolarHBondContact ND1-OD1 3.15Å
14E56.9Low56.9Low175 Ų175149.5 Ų149.582%0.81879%0.789SS**  trans-75.6125.1165.5-62.1179.916200108V12V12-E14 PolarHBondContact O-N 2.94Å
15D55.3Low55.5Low138 Ų138146.5 Ų146.574%0.73879%0.788SS**  trans-120.3105.3162.4-76.8-27.8000108.1H13H13-D15 IonicContact CE1-OD1 3.1Å; H13-D15 PolarHBondContact CE1-OD1 3.39Å; H13-D15 IonicContact ND1-OD1 3.97Å; H13-D15 PolarHBondContact ND1-OD1 3.15Å
16E58.4Low54.9Low184 Ų184146.5 Ų146.586%0.8679%0.788SS**  trans-75.7124.7179.7-169.1-177.3-158.200110.3
17F51Low54.1Low213 Ų213142 Ų14293%0.93477%0.771SS**  trans-138.799.8160.8-100.2-84.8000110.7
18G49.6Very low53.9Low72 Ų72140.5 Ų140.574%0.74277%0.766SS**  73.792.9123.600000118.7
19D51.1Low53.5Low129 Ų129141.4 Ų141.469%0.6976%0.759SS**  trans-46.1139160.417819.9000113.9N21D19-N21 PolarHBondContact OD1-N 3.09Å; D19-N21 VanDerWaalsContact OD1-N 3.16Å
20E55Low53Low186 Ų186138.2 Ų138.287%0.86974%0.741SS**  trans-16194.8135.3-108174.3-152.400111.6
21N47.3Very low53Low134 Ų134138.3 Ų138.372%0.71774%0.742SS**  trans28.4115.2140.1-71.1-69.7000120.3D19D19-N21 PolarHBondContact OD1-N 3.09Å; D19-N21 VanDerWaalsContact OD1-N 3.16Å
22G45.3Very low52.7Low76 Ų76136.4 Ų136.478%0.78473%0.73SS**  trans-167.879.7160.900000112E24G22-E24 PolarHBondContact O-N 2.69Å
23K45.8Very low52.5Low194 Ų194137 Ų13784%0.84373%0.725SS**  trans-56124.7166.9-76.6174.2171.5109.80109.2
24E53.1Low52.5Low171 Ų171136 Ų13680%0.79972%0.719SS**  trans-168.993.1158.2-104.1158.6-132.600109.7G22 V26G22-E24 PolarHBondContact O-N 2.69Å; E24-V26 PolarHBondContact O-N 2.8Å
25D44.1Very low53.5Low160 Ų160132.5 Ų132.586%0.85671%0.706SS**  trans34.170.9140.1-48.8-26.2000118.8S27D25-S27 PolarHBondContact O-N 2.68Å
26V52.8Low54.6Low112 Ų112128.7 Ų128.768%0.67969%0.693SS**  trans-87.790.6166.3-171.10000109.1E24 D30E24-V26 PolarHBondContact O-N 2.8Å; V26-D30 HydrophobicContact CG1-CB 3.91Å; V26-D30 WeakPolarHBondContact CG1-OD2 3.25Å
27S48.5Very low55.4Low72 Ų72124.6 Ų124.650%0.50367%0.674SS.*  trans-52.6150.1177.3460000113.1D25 T29 D30D25-S27 PolarHBondContact O-N 2.68Å; S27-T29 PolarHBondContact O-N 3.13Å; S27-T29 PolarHBondContact O-OG1 3.1Å; S27-T29 PolarHBondContact OG-OG1 2.8Å; S27-D30 PolarHBondContact O-N 3.12Å; S27-D30 VanDerWaalsContact O-N 3.15Å
28V52.8Low56.7Low116 Ų116117.7 Ų117.770%0.70365%0.647SS**THydrogen-bonded Turntrans-29.6-17.2167.9179.80000116.7M32V28-M32 WeakPolarHBondContact O-CG 3.46Å; V28-M32 PolarHBondContact O-N 3.36Å
29T51.5Low58.4Low86 Ų86121 Ų12153%0.52864%0.643SS.*Hα-helixtrans-63.2-33.4174.149.70000114.8S27 H33S27-T29 PolarHBondContact O-N 3.13Å; S27-T29 PolarHBondContact O-OG1 3.1Å; S27-T29 PolarHBondContact OG-OG1 2.8Å; T29-H33 PolarHBondContact O-N 3.21Å; T29-H33 VanDerWaalsContact O-N 3.17Å
30D52.3Low60.1Low101 Ų101117.5 Ų117.554%0.5463%0.632SS.*Hα-helixtrans-78.8-33.2-178.3-92.20.8000113V26 S27 M32 H33 F34V26-D30 HydrophobicContact CG1-CB 3.91Å; V26-D30 WeakPolarHBondContact CG1-OD2 3.25Å; S27-D30 PolarHBondContact O-N 3.12Å; S27-D30 VanDerWaalsContact O-N 3.15Å; D30-M32 VanDerWaalsContact C-N 3.35Å; D30-H33 WeakPolarHBondContact O-CB 3.3Å; D30-H33 PolarHBondContact O-N 3.3Å; D30-F34 PolarHBondContact O-N 3.34Å
31E53.4Low61.4Low154 Ų154114 Ų11472%0.7262%0.618SS**Hα-helixtrans-67.8-37.9171.9-67.3-155.2161.900111.3H33 F34 D35E31-H33 PolarHBondContact O-N 3.17Å; E31-F34 PolarHBondContact O-N 3.39Å; E31-D35 WeakPolarHBondContact O-CB 3.28Å; E31-D35 PolarHBondContact O-N 3.49Å
32M56.3Low63.3Low133 Ų133113.9 Ų113.966%0.65561%0.611SS**Hα-helixtrans-63.3-30172.3-71.1-174.960.900112.8V28 D30 A36V28-M32 WeakPolarHBondContact O-CG 3.46Å; V28-M32 PolarHBondContact O-N 3.36Å; D30-M32 VanDerWaalsContact C-N 3.35Å; M32-A36 WeakPolarHBondContact O-CB 3.21Å; M32-A36 PolarHBondContact O-N 2.64Å
33H58.9Low65.4Low113 Ų113116 Ų11652%0.52360%0.601SS.*Hα-helixtrans-74.6-41.3176.6-161.2-80000111.6T29 D30 E31 A36 E37T29-H33 PolarHBondContact O-N 3.21Å; T29-H33 VanDerWaalsContact O-N 3.17Å; D30-H33 WeakPolarHBondContact O-CB 3.3Å; D30-H33 PolarHBondContact O-N 3.3Å; E31-H33 PolarHBondContact O-N 3.17Å; H33-A36 PolarHBondContact O-N 2.84Å; H33-E37 IonicContact CE1-OE1 2.96Å; H33-E37 PolarHBondContact CE1-OE1 3.47Å; H33-E37 IonicContact ND1-OE1 3.09Å; H33-E37 PolarHBondContact ND1-OE1 3.2Å; H33-E37 VanDerWaalsContact ND1-OE1 3.09Å; H33-E37 WeakPolarHBondContact O-CG 3.47Å; H33-E37 PolarHBondContact O-N 3.46Å
34F63.9Low67.2Low138 Ų138115.1 Ų115.161%0.60559%0.592SS**Hα-helixtrans-67.5-40.2176.9-169.5-97.5000112.5D30 E31 E37 L38D30-F34 PolarHBondContact O-N 3.34Å; E31-F34 PolarHBondContact O-N 3.39Å; F34-E37 PolarHBondContact O-N 3.25Å; F34-L38 WeakPolarHBondContact O-CB 3.47Å; F34-L38 PolarHBondContact O-N 3.34Å
35D77.1Confident68.8Low101 Ų101112.9 Ų112.954%0.5458%0.58SS.*Hα-helixtrans-65.3-39.8176.3-78.2-17.4000112E31 L38 E39E31-D35 WeakPolarHBondContact O-CB 3.28Å; E31-D35 PolarHBondContact O-N 3.49Å; D35-L38 PolarHBondContact O-N 2.93Å; D35-E39 PolarHBondContact O-N 2.99Å
36A79.2Confident71Confident57 Ų57112.5 Ų112.547%0.47157%0.571SS.*Hα-helixtrans-65.4-40.1175.400000112.3M32 H33 E39 A40M32-A36 WeakPolarHBondContact O-CB 3.21Å; M32-A36 PolarHBondContact O-N 2.64Å; H33-A36 PolarHBondContact O-N 2.84Å; A36-E39 PolarHBondContact O-N 2.75Å; A36-A40 PolarHBondContact O-N 2.92Å
37E75.7Confident72.6Confident98 Ų98112.9 Ų112.946%0.45857%0.565SS.*Hα-helixtrans-65.5-40.3173.8-75.1-178-176.200112.1H33 F34 A40 I41H33-E37 IonicContact CE1-OE1 2.96Å; H33-E37 PolarHBondContact CE1-OE1 3.47Å; H33-E37 IonicContact ND1-OE1 3.09Å; H33-E37 PolarHBondContact ND1-OE1 3.2Å; H33-E37 VanDerWaalsContact ND1-OE1 3.09Å; H33-E37 WeakPolarHBondContact O-CG 3.47Å; H33-E37 PolarHBondContact O-N 3.46Å; F34-E37 PolarHBondContact O-N 3.25Å; E37-A40 PolarHBondContact O-N 2.94Å; E37-I41 VanDerWaalsContact O-CG1 3.28Å; E37-I41 WeakPolarHBondContact O-CG1 3.45Å; E37-I41 PolarHBondContact O-N 3.27Å
38L77.6Confident74.4Confident68 Ų68113.7 Ų113.736%0.35656%0.562SS.*Hα-helixtrans-65.3-38.5177.3-170.372.6000111.8F34 D35 I41 K42F34-L38 WeakPolarHBondContact O-CB 3.47Å; F34-L38 PolarHBondContact O-N 3.34Å; D35-L38 PolarHBondContact O-N 2.93Å; L38-I41 PolarHBondContact O-N 3.05Å; L38-K42 VanDerWaalsContact O-CG 3.31Å; L38-K42 WeakPolarHBondContact O-CG 3.41Å; L38-K42 PolarHBondContact O-N 3.39Å
39E85.1Confident75.8Confident143 Ų143112.9 Ų112.967%0.66855%0.551SS**Hα-helixtrans-65.9-43.1175.3-167.9165.9-15900111.4D35 A36 I41 K42 E43D35-E39 PolarHBondContact O-N 2.99Å; A36-E39 PolarHBondContact O-N 2.75Å; E39-I41 VanDerWaalsContact C-N 3.34Å; E39-I41 PolarHBondContact O-N 2.8Å; E39-K42 PolarHBondContact O-N 3.21Å; E39-E43 WeakPolarHBondContact O-CB 3.48Å; E39-E43 PolarHBondContact O-N 3.23Å
40A86.5Confident77.5Confident55 Ų55110.7 Ų110.746%0.45554%0.542SS..Hα-helixtrans-62.1-38.2174.700000112.8A36 E37 R44A36-A40 PolarHBondContact O-N 2.92Å; E37-A40 PolarHBondContact O-N 2.94Å; A40-R44 WeakPolarHBondContact O-CB 3.27Å; A40-R44 PolarHBondContact O-N 3.45Å
41I82.4Confident78.9Confident111 Ų111110 Ų11057%0.56954%0.538SS*.Hα-helixtrans-67.8-41.9175.7-67.9165.6000111E37 L38 E39 R44 F45E37-I41 VanDerWaalsContact O-CG1 3.28Å; E37-I41 WeakPolarHBondContact O-CG1 3.45Å; E37-I41 PolarHBondContact O-N 3.27Å; L38-I41 PolarHBondContact O-N 3.05Å; E39-I41 VanDerWaalsContact C-N 3.34Å; E39-I41 PolarHBondContact O-N 2.8Å; I41-R44 PolarHBondContact O-N 3.26Å; I41-F45 WeakPolarHBondContact O-CB 3.4Å; I41-F45 PolarHBondContact O-N 3.02Å
42K86.4Confident80.4Confident132 Ų132105.1 Ų105.157%0.57452%0.524SS*.Hα-helixtrans-64.2-40.6176.3-75.1170.9-178.2168.40111.8L38 E39 F45 K46L38-K42 VanDerWaalsContact O-CG 3.31Å; L38-K42 WeakPolarHBondContact O-CG 3.41Å; L38-K42 PolarHBondContact O-N 3.39Å; E39-K42 PolarHBondContact O-N 3.21Å; K42-F45 PolarHBondContact O-N 3.47Å; K42-K46 PolarHBondContact O-N 3.26Å
43E90.1Very high81.8Confident121 Ų121103.9 Ų103.957%0.56552%0.52SS*.Hα-helixtrans-62.5-47.4175.7-172.9171.4-156.500110.9E39 F45 K46 E47E39-E43 WeakPolarHBondContact O-CB 3.48Å; E39-E43 PolarHBondContact O-N 3.23Å; E43-F45 VanDerWaalsContact C-N 3.3Å; E43-F45 PolarHBondContact O-N 3.47Å; E43-K46 WeakPolarHBondContact O-CB 3.21Å; E43-K46 PolarHBondContact O-N 2.97Å; E43-K46 VanDerWaalsContact O-N 3.14Å; E43-E47 PolarHBondContact O-N 3.12Å
44R83.9Confident83Confident175 Ų175104.2 Ų104.266%0.6652%0.52SS*.Hα-helixtrans-58.8-40.8174.7-169.7-167.1178.7-156.60.1112.3A40 I41 K46 E47 I48A40-R44 WeakPolarHBondContact O-CB 3.27Å; A40-R44 PolarHBondContact O-N 3.45Å; I41-R44 PolarHBondContact O-N 3.26Å; R44-K46 VanDerWaalsContact C-N 3.33Å; R44-E47 PolarHBondContact O-N 3.07Å; R44-I48 HydrophobicContact CG-CD1 4.05Å; R44-I48 VanDerWaalsContact O-CG1 3.26Å; R44-I48 WeakPolarHBondContact O-CG1 3.49Å; R44-I48 PolarHBondContact O-N 3.3Å
45F86.5Confident83.7Confident124 Ų124103.1 Ų103.154%0.54452%0.52SS..Hα-helixtrans-63.9-40.7178-162.7-100.8000111.5I41 K42 E43 E47 I48 E49I41-F45 WeakPolarHBondContact O-CB 3.4Å; I41-F45 PolarHBondContact O-N 3.02Å; K42-F45 PolarHBondContact O-N 3.47Å; E43-F45 VanDerWaalsContact C-N 3.3Å; E43-F45 PolarHBondContact O-N 3.47Å; F45-E47 PolarHBondContact O-N 2.91Å; F45-I48 PolarHBondContact O-N 3.23Å; F45-E49 HydrophobicContact CD1-CG 4.13Å; F45-E49 HydrophobicContact CE1-CG 4.02Å; F45-E49 WeakPolarHBondContact CE1-OE1 3.34Å; F45-E49 WeakPolarHBondContact O-CG 3.39Å; F45-E49 PolarHBondContact O-N 3.3Å
46K89.8Confident83.8Confident153 Ų153102.9 Ų102.967%0.66552%0.515SS*.Hα-helixtrans-64.6-38.2176.2-171.2-179.2-179.6-176.70112.7K42 E43 R44 A50K42-K46 PolarHBondContact O-N 3.26Å; E43-K46 WeakPolarHBondContact O-CB 3.21Å; E43-K46 PolarHBondContact O-N 2.97Å; E43-K46 VanDerWaalsContact O-N 3.14Å; R44-K46 VanDerWaalsContact C-N 3.33Å; K46-A50 WeakPolarHBondContact O-CB 3.45Å; K46-A50 PolarHBondContact O-N 3.45Å
47E86.8Confident83.9Confident119 Ų119104.1 Ų104.156%0.55651%0.514SS*.Hα-helixtrans-64.8-44.8173.5-69.7-174.8160.600111.7E43 R44 F45 E49 A50 D51E43-E47 PolarHBondContact O-N 3.12Å; R44-E47 PolarHBondContact O-N 3.07Å; F45-E47 PolarHBondContact O-N 2.91Å; E47-E49 PolarHBondContact O-N 2.63Å; E47-A50 PolarHBondContact O-N 3.25Å; E47-D51 PolarHBondContact O-N 3.41Å
48I85.4Confident83.9Confident89 Ų89104.4 Ų104.446%0.45652%0.518SS..Hα-helixtrans-61.7-43177.2-68.2165.5000110.9R44 F45 D51 A52R44-I48 HydrophobicContact CG-CD1 4.05Å; R44-I48 VanDerWaalsContact O-CG1 3.26Å; R44-I48 WeakPolarHBondContact O-CG1 3.49Å; R44-I48 PolarHBondContact O-N 3.3Å; F45-I48 PolarHBondContact O-N 3.23Å; I48-D51 PolarHBondContact O-N 2.84Å; I48-A52 WeakPolarHBondContact O-CB 3.32Å; I48-A52 PolarHBondContact O-N 3Å
49E83.1Confident83.9Confident99 Ų99107.4 Ų107.446%0.46353%0.525SS..Hα-helixtrans-64.6-41.4175.9-74.6-173.9155.900112.3F45 E47 D51 A52 N53F45-E49 HydrophobicContact CD1-CG 4.13Å; F45-E49 HydrophobicContact CE1-CG 4.02Å; F45-E49 WeakPolarHBondContact CE1-OE1 3.34Å; F45-E49 WeakPolarHBondContact O-CG 3.39Å; F45-E49 PolarHBondContact O-N 3.3Å; E47-E49 PolarHBondContact O-N 2.63Å; E49-D51 VanDerWaalsContact C-N 3.32Å; E49-D51 PolarHBondContact O-N 3.16Å; E49-A52 PolarHBondContact O-N 2.86Å; E49-N53 WeakPolarHBondContact O-CB 3.32Å; E49-N53 VanDerWaalsContact O-CG 3.26Å; E49-N53 PolarHBondContact O-N 3.48Å; E49-N53 PolarHBondContact O-ND2 2.93Å; E49-N53 VanDerWaalsContact O-ND2 3.16Å
50A86.5Confident83.5Confident40 Ų40107 Ų10733%0.33152%0.517SS..Hα-helixtrans-63.1-39.9176.600000111.5K46 E47 K54K46-A50 WeakPolarHBondContact O-CB 3.45Å; K46-A50 PolarHBondContact O-N 3.45Å; E47-A50 PolarHBondContact O-N 3.25Å; A50-K54 VanDerWaalsContact O-CG 3.26Å; A50-K54 WeakPolarHBondContact O-CG 3.27Å; A50-K54 PolarHBondContact O-N 3.04Å
51D82.9Confident82.9Confident86 Ų86109.2 Ų109.246%0.4653%0.525SS..Hα-helixtrans-72.5-37.1176.6-79.8-2.3000112.5E47 I48 E49 N53 K54 L55E47-D51 PolarHBondContact O-N 3.41Å; I48-D51 PolarHBondContact O-N 2.84Å; E49-D51 VanDerWaalsContact C-N 3.32Å; E49-D51 PolarHBondContact O-N 3.16Å; D51-N53 VanDerWaalsContact C-N 3.35Å; D51-N53 PolarHBondContact O-N 3.48Å; D51-K54 PolarHBondContact O-N 3.23Å; D51-K54 IonicContact OD1-NZ 2.79Å; D51-K54 PolarHBondContact OD1-NZ 3.45Å; D51-L55 WeakPolarHBondContact O-CB 3.22Å; D51-L55 VanDerWaalsContact O-CG 3.29Å; D51-L55 WeakPolarHBondContact O-CG 3.32Å; D51-L55 PolarHBondContact O-N 3.05Å
52A84.6Confident82.3Confident52 Ų52107.5 Ų107.543%0.4352%0.516SS..Hα-helixtrans-61.8-42.3172.600000111.9I48 E49 L55 H56I48-A52 WeakPolarHBondContact O-CB 3.32Å; I48-A52 PolarHBondContact O-N 3Å; E49-A52 PolarHBondContact O-N 2.86Å; A52-L55 PolarHBondContact O-N 2.63Å; A52-H56 WeakPolarHBondContact O-CB 3.49Å; A52-H56 PolarHBondContact O-N 3.13Å
53N85.4Confident81.3Confident107 Ų107105.7 Ų105.757%0.57251%0.512SS*.Hα-helixtrans-65-44.4176.2-73.2-31.4000111.8E49 D51 L55 H56 D57E49-N53 WeakPolarHBondContact O-CB 3.32Å; E49-N53 VanDerWaalsContact O-CG 3.26Å; E49-N53 PolarHBondContact O-N 3.48Å; E49-N53 PolarHBondContact O-ND2 2.93Å; E49-N53 VanDerWaalsContact O-ND2 3.16Å; D51-N53 VanDerWaalsContact C-N 3.35Å; D51-N53 PolarHBondContact O-N 3.48Å; N53-L55 VanDerWaalsContact C-N 3.33Å; N53-L55 PolarHBondContact O-N 2.66Å; N53-H56 WeakPolarHBondContact O-CB 3.28Å; N53-H56 PolarHBondContact O-N 2.81Å; N53-D57 PolarHBondContact O-N 3.27Å
54K84.5Confident80.2Confident121 Ų121108.2 Ų108.253%0.52652%0.522SS..Hα-helixtrans-59.3-43.5174-70.4169-156.3156.30111.6A50 D51 H56 D57 L58A50-K54 VanDerWaalsContact O-CG 3.26Å; A50-K54 WeakPolarHBondContact O-CG 3.27Å; A50-K54 PolarHBondContact O-N 3.04Å; D51-K54 PolarHBondContact O-N 3.23Å; D51-K54 IonicContact OD1-NZ 2.79Å; D51-K54 PolarHBondContact OD1-NZ 3.45Å; K54-H56 VanDerWaalsContact C-N 3.32Å; K54-H56 PolarHBondContact O-N 3.11Å; K54-D57 PolarHBondContact O-N 3.29Å; K54-L58 VanDerWaalsContact O-CG 3.31Å; K54-L58 WeakPolarHBondContact O-CG 3.43Å; K54-L58 PolarHBondContact O-N 2.89Å
55L77.9Confident78.5Confident115 Ų115101.7 Ų101.760%0.60250%0.503SS*.Hα-helixtrans-64-38.2177.5-74.7173.5000111.9D51 A52 N53 L58 R59D51-L55 WeakPolarHBondContact O-CB 3.22Å; D51-L55 VanDerWaalsContact O-CG 3.29Å; D51-L55 WeakPolarHBondContact O-CG 3.32Å; D51-L55 PolarHBondContact O-N 3.05Å; A52-L55 PolarHBondContact O-N 2.63Å; N53-L55 VanDerWaalsContact C-N 3.33Å; N53-L55 PolarHBondContact O-N 2.66Å; L55-L58 PolarHBondContact O-N 3.13Å; L55-R59 WeakPolarHBondContact O-CB 3.42Å; L55-R59 PolarHBondContact O-N 3.19Å
56H78.6Confident77Confident95 Ų95101.1 Ų101.144%0.4451%0.512SS..Hα-helixtrans-64.8-39.8176.8-172.7-92.1000112.1A52 N53 K54 R59 R60A52-H56 WeakPolarHBondContact O-CB 3.49Å; A52-H56 PolarHBondContact O-N 3.13Å; N53-H56 WeakPolarHBondContact O-CB 3.28Å; N53-H56 PolarHBondContact O-N 2.81Å; K54-H56 VanDerWaalsContact C-N 3.32Å; K54-H56 PolarHBondContact O-N 3.11Å; H56-R59 PolarHBondContact O-N 3.44Å; H56-R60 PolarHBondContact CE1-NE 2.95Å; H56-R60 PolarHBondContact CE1-NH2 3.39Å; H56-R60 WeakPolarHBondContact O-CG 3.2Å; H56-R60 PolarHBondContact O-N 3Å
57D81Confident75.3Confident84 Ų84100.8 Ų100.845%0.44952%0.515SS..Hα-helixtrans-70.7-40.4175.9-71.8-26.5000112.2N53 K54 R59 R60 V61N53-D57 PolarHBondContact O-N 3.27Å; K54-D57 PolarHBondContact O-N 3.29Å; D57-R59 VanDerWaalsContact C-N 3.28Å; D57-R59 PolarHBondContact O-N 2.75Å; D57-R60 WeakPolarHBondContact O-CB 3.35Å; D57-R60 PolarHBondContact O-N 3.27Å; D57-R60 IonicContact OD1-NH1 3.62Å; D57-V61 WeakPolarHBondContact O-CG2 3.27Å; D57-V61 PolarHBondContact O-N 3.45Å
58L76.7Confident73.4Confident103 Ų10397.9 Ų97.954%0.53951%0.509SS..Hα-helixtrans-58.9-41.7171-71.5173.2000111.2K54 L55 V61 I62K54-L58 VanDerWaalsContact O-CG 3.31Å; K54-L58 WeakPolarHBondContact O-CG 3.43Å; K54-L58 PolarHBondContact O-N 2.89Å; L55-L58 PolarHBondContact O-N 3.13Å; L58-V61 PolarHBondContact O-N 2.91Å; L58-I62 WeakPolarHBondContact O-CB 3.45Å; L58-I62 WeakPolarHBondContact O-CD1 3.44Å; L58-I62 WeakPolarHBondContact O-CG1 3.15Å; L58-I62 PolarHBondContact O-N 2.78Å
59R77.2Confident71.9Confident131 Ų131100.4 Ų100.449%0.49452%0.516SS..Hα-helixtrans-62.3-45.7176.2-177.965.4-164.2-178.45.4111.6L55 H56 D57 V61 I62 D63L55-R59 WeakPolarHBondContact O-CB 3.42Å; L55-R59 PolarHBondContact O-N 3.19Å; H56-R59 PolarHBondContact O-N 3.44Å; D57-R59 VanDerWaalsContact C-N 3.28Å; D57-R59 PolarHBondContact O-N 2.75Å; R59-V61 VanDerWaalsContact C-N 3.31Å; R59-V61 PolarHBondContact O-N 2.87Å; R59-I62 PolarHBondContact O-N 2.99Å; R59-D63 IonicContact CZ-OD1 2.81Å; R59-D63 IonicContact CZ-OD2 3.75Å; R59-D63 IonicContact NE-OD1 3.08Å; R59-D63 PolarHBondContact NE-OD1 3Å; R59-D63 VanDerWaalsContact NE-OD1 3.14Å; R59-D63 IonicContact NE-OD2 3.63Å; R59-D63 PolarHBondContact NE-OD2 2.79Å; R59-D63 IonicContact NH1-OD1 2.8Å; R59-D63 IonicContact NH2-OD1 3.29Å; R59-D63 PolarHBondContact NH2-OD1 2.98Å; R59-D63 IonicContact NH2-OD2 3.97Å; R59-D63 WeakPolarHBondContact O-CB 3.2Å; R59-D63 PolarHBondContact O-N 2.8Å
60R77.2Confident70.4Confident135 Ų13599 Ų9951%0.50952%0.518SS..Hα-helixtrans-59.1-39.9175.1-80.3175.7167.1164.9-2.1112.6H56 D57 K64H56-R60 PolarHBondContact CE1-NE 2.95Å; H56-R60 PolarHBondContact CE1-NH2 3.39Å; H56-R60 WeakPolarHBondContact O-CG 3.2Å; H56-R60 PolarHBondContact O-N 3Å; D57-R60 WeakPolarHBondContact O-CB 3.35Å; D57-R60 PolarHBondContact O-N 3.27Å; D57-R60 IonicContact OD1-NH1 3.62Å; R60-K64 WeakPolarHBondContact O-CB 3.2Å; R60-K64 VanDerWaalsContact O-CG 3.24Å; R60-K64 WeakPolarHBondContact O-CG 3.46Å; R60-K64 PolarHBondContact O-N 2.93Å; R60-K64 VanDerWaalsContact O-N 3.12Å
61V74.4Confident68.9Low101 Ų101102.4 Ų102.461%0.61253%0.53SS*.Hα-helixtrans-68.1-42.1177.1173.60000110.7D57 L58 R59 K64 S65D57-V61 WeakPolarHBondContact O-CG2 3.27Å; D57-V61 PolarHBondContact O-N 3.45Å; L58-V61 PolarHBondContact O-N 2.91Å; R59-V61 VanDerWaalsContact C-N 3.31Å; R59-V61 PolarHBondContact O-N 2.87Å; V61-K64 PolarHBondContact O-N 2.93Å; V61-S65 PolarHBondContact O-N 3.14Å
62I68.7Low67.8Low75 Ų75101 Ų10139%0.38552%0.522SS..Hα-helixtrans-63.6-45.4177.3-69.3164.4000111L58 R59 K64 S65L58-I62 WeakPolarHBondContact O-CB 3.45Å; L58-I62 WeakPolarHBondContact O-CD1 3.44Å; L58-I62 WeakPolarHBondContact O-CG1 3.15Å; L58-I62 PolarHBondContact O-N 2.78Å; R59-I62 PolarHBondContact O-N 2.99Å; I62-K64 VanDerWaalsContact C-N 3.25Å; I62-K64 PolarHBondContact O-N 3.5Å; I62-S65 WeakPolarHBondContact O-CB 3.48Å; I62-S65 PolarHBondContact O-N 2.79Å; I62-S65 PolarHBondContact O-OG 2.96Å
63D65.2Low66.6Low94 Ų94102.4 Ų102.450%0.50353%0.529SS..Hα-helixtrans-67.5-26.1179.6-70.4-26.4000112.3R59R59-D63 IonicContact CZ-OD1 2.81Å; R59-D63 IonicContact CZ-OD2 3.75Å; R59-D63 IonicContact NE-OD1 3.08Å; R59-D63 PolarHBondContact NE-OD1 3Å; R59-D63 VanDerWaalsContact NE-OD1 3.14Å; R59-D63 IonicContact NE-OD2 3.63Å; R59-D63 PolarHBondContact NE-OD2 2.79Å; R59-D63 IonicContact NH1-OD1 2.8Å; R59-D63 IonicContact NH2-OD1 3.29Å; R59-D63 PolarHBondContact NH2-OD1 2.98Å; R59-D63 IonicContact NH2-OD2 3.97Å; R59-D63 WeakPolarHBondContact O-CB 3.2Å; R59-D63 PolarHBondContact O-N 2.8Å
64K66.8Low65.6Low174 Ų174103.4 Ų103.476%0.75754%0.535SS*.Hα-helixtrans-83.2-13.7172.2-73175.9-179-178.50113.8R60 V61 I62R60-K64 WeakPolarHBondContact O-CB 3.2Å; R60-K64 VanDerWaalsContact O-CG 3.24Å; R60-K64 WeakPolarHBondContact O-CG 3.46Å; R60-K64 PolarHBondContact O-N 2.93Å; R60-K64 VanDerWaalsContact O-N 3.12Å; V61-K64 PolarHBondContact O-N 2.93Å; I62-K64 VanDerWaalsContact C-N 3.25Å; I62-K64 PolarHBondContact O-N 3.5Å
65S48.2Very low64.8Low38 Ų38100.7 Ų100.727%0.26653%0.526SS..SBendtrans-81.7127177.175.60000110.3V61 I62 I67 S68V61-S65 PolarHBondContact O-N 3.14Å; I62-S65 WeakPolarHBondContact O-CB 3.48Å; I62-S65 PolarHBondContact O-N 2.79Å; I62-S65 PolarHBondContact O-OG 2.96Å; S65-I67 PolarHBondContact O-N 3.42Å; S65-S68 PolarHBondContact OG-OG 3.25Å
66P55.7Low64.9Low112 Ų11297.8 Ų97.873%0.72752%0.515SS*.THydrogen-bonded Turntrans-68-3.9-179.327.4-34.6000113.8
67I54.7Low65.1Low146 Ų14699 Ų9975%0.74953%0.525SS*.THydrogen-bonded Turntrans-96.2-14.7-169-91.5150.5000113.9S65S65-I67 PolarHBondContact O-N 3.42Å
68S47.3Very low65.2Low59 Ų59102.3 Ų102.341%0.41354%0.537SS..SBendtrans-98.54.3-175-61.50000115.3S65 S70S65-S68 PolarHBondContact OG-OG 3.25Å; S68-S70 PolarHBondContact O-N 3.04Å
69K52.9Low65.6Low142 Ų142100.7 Ų100.762%0.61753%0.529SS*.THydrogen-bonded Turntrans-71.17.7175.5-64.2-175.5-179.2179.90114.2R114K69-R114 PolarHBondContact O-NH1 3.24Å
70S53.1Low66Low70 Ų7097.1 Ų97.149%0.4952%0.517SS..THydrogen-bonded Turntrans-79.9-16.4-171.262.20000114.4S68 R114S68-S70 PolarHBondContact O-N 3.04Å; S70-R114 PolarHBondContact O-NH1 3.38Å
71N54.5Low66.4Low110 Ų11093.6 Ų93.659%0.58851%0.511SS*.  trans-110.790.9-175.7-69.6-20.5000112.7S73N71-S73 PolarHBondContact O-N 2.85Å
72N58.6Low67.1Low56 Ų5693.1 Ų93.130%0.29950%0.502SS..G310 helixtrans-61.52.6167-83.817.6000113.6N74 K80N72-N74 VanDerWaalsContact C-N 3.25Å; N72-N74 PolarHBondContact O-N 3.14Å; N72-K80 WeakPolarHBondContact O-CE 3.43Å
73S61Low68.2Low83 Ų8390.2 Ų90.258%0.5849%0.488SS*.G310 helixtrans-70.1-21.417957.90000113.3N71N71-S73 PolarHBondContact O-N 2.85Å
74N64.3Low69.4Low127 Ų12786.7 Ų86.768%0.67947%0.469SS*.G310 helixtrans-1082.3-171.6-62.14.2000113.8N72N72-N74 VanDerWaalsContact C-N 3.25Å; N72-N74 PolarHBondContact O-N 3.14Å
75L67.1Low70.6Confident65 Ų6582.9 Ų82.934%0.3446%0.456SS..SBendtrans-82145.1175.8-68.1176.2000109.8D79 K80L75-D79 HydrophobicContact CB-CB 3.97Å; L75-D79 HydrophobicContact CD2-CB 4.28Å; L75-K80 HydrophobicContact CB-CG 3.94Å; L75-K80 WeakPolarHBondContact O-CE 3.05Å; L75-K80 PolarHBondContact O-NZ 3.12Å
76S80.5Confident72.7Confident54 Ų5483.5 Ų83.538%0.37845%0.453SS..  trans-59.7157.6170.472.70000109.4E78 D79 K80S76-E78 PolarHBondContact O-N 3.33Å; S76-D79 WeakPolarHBondContact CB-OD2 3.46Å; S76-D79 PolarHBondContact N-OD2 3.22Å; S76-D79 PolarHBondContact O-N 2.84Å; S76-D79 PolarHBondContact OG-N 2.82Å; S76-D79 VanDerWaalsContact OG-N 3.16Å; S76-D79 PolarHBondContact OG-OD2 2.99Å; S76-K80 WeakPolarHBondContact O-CG 3.45Å; S76-K80 PolarHBondContact O-N 2.79Å
77D81.8Confident74.6Confident120 Ų12078.3 Ų78.364%0.64242%0.419SS*.Hα-helixtrans-64.1-29.6179.9-67-30.8000111.5K80 T81D77-K80 PolarHBondContact O-N 3.42Å; D77-K80 IonicContact OD1-NZ 2.9Å; D77-K80 PolarHBondContact OD1-NZ 3.1Å; D77-T81 VanDerWaalsContact O-CG2 3.28Å; D77-T81 WeakPolarHBondContact O-CG2 3.45Å; D77-T81 PolarHBondContact O-N 3.3Å
78E83Confident76.5Confident153 Ų15371.4 Ų71.472%0.71538%0.384SS*.Hα-helixtrans-62.4-51.7171.9-63.2179.8175.100111S76 K80 T81 E82S76-E78 PolarHBondContact O-N 3.33Å; E78-K80 VanDerWaalsContact C-N 3.29Å; E78-K80 PolarHBondContact O-N 3.32Å; E78-T81 WeakPolarHBondContact O-CA 3.1Å; E78-T81 PolarHBondContact O-N 3.42Å; E78-T81 PolarHBondContact O-OG1 2.92Å; E78-E82 PolarHBondContact O-N 3.25Å
79D85.7Confident78.9Confident69 Ų6972.1 Ų72.137%0.36938%0.378SS..Hα-helixtrans-58.9-40.8178.1-62.9-42.5000112.1L75 S76 T81 E82 V83L75-D79 HydrophobicContact CB-CB 3.97Å; L75-D79 HydrophobicContact CD2-CB 4.28Å; S76-D79 WeakPolarHBondContact CB-OD2 3.46Å; S76-D79 PolarHBondContact N-OD2 3.22Å; S76-D79 PolarHBondContact O-N 2.84Å; S76-D79 PolarHBondContact OG-N 2.82Å; S76-D79 VanDerWaalsContact OG-N 3.16Å; S76-D79 PolarHBondContact OG-OD2 2.99Å; D79-T81 VanDerWaalsContact C-N 3.31Å; D79-T81 PolarHBondContact O-N 2.93Å; D79-E82 PolarHBondContact O-N 3.25Å; D79-V83 WeakPolarHBondContact O-CB 3.42Å; D79-V83 VanDerWaalsContact O-CG2 3.27Å; D79-V83 WeakPolarHBondContact O-CG2 3.29Å; D79-V83 PolarHBondContact O-N 2.8Å
80K85.2Confident80.9Confident56 Ų5665.3 Ų65.324%0.24335%0.348CS..Hα-helixtrans-61.5-42.1175.8-68.5173.3-163.8138.50111N72 L75 S76 D77 E78 V83 D84N72-K80 WeakPolarHBondContact O-CE 3.43Å; L75-K80 HydrophobicContact CB-CG 3.94Å; L75-K80 WeakPolarHBondContact O-CE 3.05Å; L75-K80 PolarHBondContact O-NZ 3.12Å; S76-K80 WeakPolarHBondContact O-CG 3.45Å; S76-K80 PolarHBondContact O-N 2.79Å; D77-K80 PolarHBondContact O-N 3.42Å; D77-K80 IonicContact OD1-NZ 2.9Å; D77-K80 PolarHBondContact OD1-NZ 3.1Å; E78-K80 VanDerWaalsContact C-N 3.29Å; E78-K80 PolarHBondContact O-N 3.32Å; K80-V83 PolarHBondContact O-N 2.91Å; K80-D84 VanDerWaalsContact O-CB 3.28Å; K80-D84 WeakPolarHBondContact O-CB 3.35Å; K80-D84 PolarHBondContact O-N 3.18Å
81T86.8Confident82.9Confident61 Ų6162 Ų6237%0.37433%0.326SS..Hα-helixtrans-65.8-39.7177.262.90000111.6D77 E78 D79 D84 L85 T163D77-T81 VanDerWaalsContact O-CG2 3.28Å; D77-T81 WeakPolarHBondContact O-CG2 3.45Å; D77-T81 PolarHBondContact O-N 3.3Å; E78-T81 WeakPolarHBondContact O-CA 3.1Å; E78-T81 PolarHBondContact O-N 3.42Å; E78-T81 PolarHBondContact O-OG1 2.92Å; D79-T81 VanDerWaalsContact C-N 3.31Å; D79-T81 PolarHBondContact O-N 2.93Å; T81-D84 PolarHBondContact O-N 3.36Å; T81-L85 WeakPolarHBondContact O-CB 3.3Å; T81-L85 WeakPolarHBondContact O-CG 3.37Å; T81-L85 PolarHBondContact O-N 3.45Å; T81-T163 HydrophobicContact CG2-CG2 4.24Å
82E89.1Confident84.8Confident92 Ų9260.4 Ų60.443%0.4332%0.317SS..Hα-helixtrans-66.6-40.5176.9-67.9-167.3165.200113E78 D79 D84 L85 R86E78-E82 PolarHBondContact O-N 3.25Å; D79-E82 PolarHBondContact O-N 3.25Å; E82-D84 VanDerWaalsContact C-N 3.33Å; E82-L85 PolarHBondContact O-N 3.46Å; E82-R86 PolarHBondContact O-N 2.85Å; E82-R86 VanDerWaalsContact O-N 3.13Å
83V90.1Very high86.5Confident14 Ų1457.9 Ų57.99%0.08530%0.303CS..Hα-helixtrans-62.8-43.2172.3170.60000110D79 K80 L85 R86 S87 E133D79-V83 WeakPolarHBondContact O-CB 3.42Å; D79-V83 VanDerWaalsContact O-CG2 3.27Å; D79-V83 WeakPolarHBondContact O-CG2 3.29Å; D79-V83 PolarHBondContact O-N 2.8Å; K80-V83 PolarHBondContact O-N 2.91Å; V83-L85 VanDerWaalsContact C-N 3.34Å; V83-L85 PolarHBondContact O-N 3.05Å; V83-R86 CarbonylContact O-C 3.46Å; V83-R86 PolarHBondContact O-N 3.39Å; V83-S87 WeakPolarHBondContact O-CB 3.17Å; V83-S87 PolarHBondContact O-N 3.18Å; V83-S87 VanDerWaalsContact O-N 3.13Å; V83-S87 PolarHBondContact O-OG 2.84Å; V83-E133 HydrophobicContact CG1-CG 4.05Å
84D90.5Very high88Confident19 Ų1955.4 Ų55.410%0.10228%0.284CS..Hα-helixtrans-64.1-37.5177.8-75-10.4000112.2K80 T81 E82 R86 S87 K161 T163K80-D84 VanDerWaalsContact O-CB 3.28Å; K80-D84 WeakPolarHBondContact O-CB 3.35Å; K80-D84 PolarHBondContact O-N 3.18Å; T81-D84 PolarHBondContact O-N 3.36Å; E82-D84 VanDerWaalsContact C-N 3.33Å; D84-R86 VanDerWaalsContact C-N 3.29Å; D84-R86 PolarHBondContact O-N 3.04Å; D84-S87 WeakPolarHBondContact O-CB 3.33Å; D84-S87 PolarHBondContact O-N 3.23Å; D84-S87 VanDerWaalsContact O-N 3.11Å; D84-K161 HydrophobicContact CB-CD 4.37Å; D84-K161 WeakPolarHBondContact OD1-CE 3.37Å; D84-K161 IonicContact OD1-NZ 3.14Å; D84-K161 PolarHBondContact OD1-NZ 3.4Å; D84-T163 HydrophobicContact CB-CG2 3.78Å
85L92.4Very high89.3Confident94 Ų9456 Ų5649%0.49228%0.277SS..Hα-helixtrans-66.2-29.7174.8-72.8171.5000112.9T81 E82 V83 S87T81-L85 WeakPolarHBondContact O-CB 3.3Å; T81-L85 WeakPolarHBondContact O-CG 3.37Å; T81-L85 PolarHBondContact O-N 3.45Å; E82-L85 PolarHBondContact O-N 3.46Å; V83-L85 VanDerWaalsContact C-N 3.34Å; V83-L85 PolarHBondContact O-N 3.05Å; L85-S87 VanDerWaalsContact C-N 3.3Å
86R93.5Very high90.5Very high52 Ų5254.8 Ų54.820%0.19628%0.281CS..THydrogen-bonded Turntrans-90.79173.4-66.6-173.2-69.2153.11.6113.2E82 V83 D84 F134 D135 R137 V140E82-R86 PolarHBondContact O-N 2.85Å; E82-R86 VanDerWaalsContact O-N 3.13Å; V83-R86 CarbonylContact O-C 3.46Å; V83-R86 PolarHBondContact O-N 3.39Å; D84-R86 VanDerWaalsContact C-N 3.29Å; D84-R86 PolarHBondContact O-N 3.04Å; R86-F134 WeakPolarHBondContact CB-O 3.41Å; R86-F134 PolarHBondContact O-N 3.35Å; R86-D135 WeakPolarHBondContact CD-O 3.33Å; R86-D135 PolarHBondContact NH1-O 3.34Å; R86-D135 IonicContact NH1-OD1 3.25Å; R86-D135 PolarHBondContact NH1-OD1 3.03Å; R86-R137 HydrophobicContact CG-CG 3.72Å; R86-V140 VanDerWaalsContact C-CG2 3.42Å; R86-V140 WeakPolarHBondContact O-CG2 3.28Å
87S94.6Very high91Very high3 Ų352.9 Ų52.92%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-112.1148.9-176.8-66.40000112.7V83 D84 L85 I132 K161V83-S87 WeakPolarHBondContact O-CB 3.17Å; V83-S87 PolarHBondContact O-N 3.18Å; V83-S87 VanDerWaalsContact O-N 3.13Å; V83-S87 PolarHBondContact O-OG 2.84Å; D84-S87 WeakPolarHBondContact O-CB 3.33Å; D84-S87 PolarHBondContact O-N 3.23Å; D84-S87 VanDerWaalsContact O-N 3.11Å; L85-S87 VanDerWaalsContact C-N 3.3Å; S87-I132 CarbonylContact C-O 3.57Å; S87-I132 WeakPolarHBondContact CA-O 3.06Å; S87-K161 WeakPolarHBondContact O-CB 3.41Å; S87-K161 PolarHBondContact O-N 2.93Å
88V95.6Very high91.5Very high1 Ų150.4 Ų50.41%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-120139.5179.3178.80000110.3V90 Y131 I132 F134 V140 A143 V158 L159V88-V90 HydrophobicContact CG1-CG2 4.37Å; V88-Y131 VanDerWaalsContact O-CA 3.3Å; V88-Y131 WeakPolarHBondContact O-CA 3.06Å; V88-I132 PolarHBondContact N-O 3.3Å; V88-I132 PolarHBondContact O-N 3.44Å; V88-F134 HydrophobicContact CB-CE2 4.09Å; V88-F134 HydrophobicContact CG2-CD2 4.03Å; V88-F134 HydrophobicContact CG2-CE2 3.63Å; V88-V140 HydrophobicContact CG2-CB 4.05Å; V88-V140 HydrophobicContact CG2-CG1 3.68Å; V88-V140 HydrophobicContact CG2-CG2 3.98Å; V88-A143 HydrophobicContact CG1-CB 4.5Å; V88-A143 HydrophobicContact CG2-CB 4.1Å; V88-V158 HydrophobicContact CG1-CG1 3.23Å; V88-L159 WeakPolarHBondContact CG1-O 3.47Å
89Y96Very high92Very high73 Ų7345.1 Ų45.129%0.28624%0.239SC..EExtended strand (participates in β ladder)trans-87.1125.9166.8169.4-95.8000109.7F129 Y131 V158 L159Y89-F129 HydrophobicContact CD2-CD2 4.49Å; Y89-F129 HydrophobicContact CE2-CB 3.76Å; Y89-F129 AromaticContact CE2-CD2 3.9Å; Y89-F129 HydrophobicContact CE2-CD2 3.9Å; Y89-F129 HydrophobicContact CE2-CG 4.13Å; Y89-Y131 HydrophobicContact CD2-CD1 4.34Å; Y89-Y131 AromaticContact CD2-CE1 3.7Å; Y89-Y131 HydrophobicContact CD2-CE1 3.7Å; Y89-Y131 HydrophobicContact CG-CE1 4.41Å; Y89-V158 WeakPolarHBondContact O-CA 3.48Å; Y89-L159 WeakPolarHBondContact CA-O 3.31Å; Y89-L159 WeakPolarHBondContact CB-O 3.26Å; Y89-L159 HydrophobicContact CD1-CB 4.21Å; Y89-L159 PolarHBondContact N-O 3Å; Y89-L159 PolarHBondContact O-N 3.01Å
90V95.2Very high92.4Very high0 Ų047.6 Ų47.60%025%0.252CS..EExtended strand (participates in β ladder)trans-114.7114.7173.2-171.40000108.4V88 V93 F106 F129 A130 I132 L156 K157V88-V90 HydrophobicContact CG1-CG2 4.37Å; V90-V93 HydrophobicContact CB-CG2 4.13Å; V90-V93 HydrophobicContact CG1-CG2 3.56Å; V90-F106 HydrophobicContact CG1-CE2 4.24Å; V90-F106 HydrophobicContact CG1-CZ 4.24Å; V90-F106 HydrophobicContact CG2-CE2 3.92Å; V90-F106 HydrophobicContact CG2-CZ 3.86Å; V90-F129 CarbonylContact O-C 3.51Å; V90-F129 WeakPolarHBondContact O-CA 2.97Å; V90-F129 WeakPolarHBondContact O-CB 3.32Å; V90-A130 PolarHBondContact N-O 3.43Å; V90-A130 PolarHBondContact O-N 3.21Å; V90-I132 HydrophobicContact CG2-CD1 3.79Å; V90-I132 HydrophobicContact CG2-CG1 4.16Å; V90-L156 HydrophobicContact CG1-CB 4.31Å; V90-L156 HydrophobicContact CG1-CD1 4.09Å; V90-L156 HydrophobicContact CG1-CD2 4.14Å; V90-L156 HydrophobicContact CG1-CG 4.42Å; V90-K157 CarbonylContact C-O 3.49Å; V90-K157 WeakPolarHBondContact CA-O 3.27Å
91G95.3Very high92.8Very high1 Ų148 Ų481%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-104.5166.2177.200000112.8V93 K157G91-V93 PolarHBondContact O-N 2.87Å; G91-K157 PolarHBondContact N-O 3.31Å; G91-K157 PolarHBondContact O-N 3.41Å
92N94.7Very high93.2Very high76 Ų7645.1 Ų45.141%0.40624%0.238SC..SBendtrans59.626.1-178.4-160.735.3000114.3G128 R154 Q155N92-G128 PolarHBondContact N-O 3.3Å; N92-R154 PolarHBondContact O-NE 3.34Å; N92-R154 PolarHBondContact OD1-NH2 2.81Å; N92-Q155 PolarHBondContact ND2-O 3.46Å
93V93.5Very high93.4Very high2 Ų244.7 Ų44.71%0.01224%0.236CC..  trans-65.3142.6176.6-177.80000109.6V90 G91 S97 L102 G128 A130 F151 L156V90-V93 HydrophobicContact CB-CG2 4.13Å; V90-V93 HydrophobicContact CG1-CG2 3.56Å; G91-V93 PolarHBondContact O-N 2.87Å; V93-S97 WeakPolarHBondContact CG1-OG 3.44Å; V93-L102 HydrophobicContact CG1-CD1 4.28Å; V93-L102 HydrophobicContact CG1-CD2 4.08Å; V93-L102 HydrophobicContact CG2-CD2 4.48Å; V93-G128 PolarHBondContact N-O 3.48Å; V93-G128 VanDerWaalsContact O-CA 3.28Å; V93-G128 WeakPolarHBondContact O-CA 3.29Å; V93-A130 HydrophobicContact CG2-CB 4.43Å; V93-F151 HydrophobicContact CG1-CE1 4.46Å; V93-L156 HydrophobicContact CG2-CD2 4.17Å
94D93.1Very high93.6Very high32 Ų3247.2 Ų47.217%0.17126%0.258CS..  trans-63.1147.9177.5-173.548.7000112.5G96 S97 R152 R154D94-G96 PolarHBondContact O-N 3.29Å; D94-G96 PolarHBondContact OD2-N 3.04Å; D94-S97 WeakPolarHBondContact O-CB 3.46Å; D94-S97 PolarHBondContact O-N 2.85Å; D94-S97 PolarHBondContact O-OG 3.16Å; D94-R152 HydrophobicContact CB-CB 4.07Å; D94-R152 IonicContact OD2-CZ 2.63Å; D94-R152 IonicContact OD2-NE 3.55Å; D94-R152 PolarHBondContact OD2-NE 2.88Å; D94-R152 IonicContact OD2-NH2 3.56Å; D94-R152 PolarHBondContact OD2-NH2 2.8Å; D94-R154 IonicContact OD1-NH1 2.84Å
95Y92.7Very high93.7Very high138 Ų13848.8 Ų48.854%0.54126%0.264SS..THydrogen-bonded Turntrans-70.9-19.1-179.5-55.1-61.9000112.8P126Y95-P126 HydrophobicContact CD1-CG 4.3Å; Y95-P126 WeakPolarHBondContact CD1-O 3.39Å; Y95-P126 WeakPolarHBondContact O-CG 3.49Å
96G90.7Very high93.8Very high40 Ų4044.3 Ų44.341%0.41224%0.241SC..THydrogen-bonded Turntrans-96.56.817500000114.3D94 R152D94-G96 PolarHBondContact O-N 3.29Å; D94-G96 PolarHBondContact OD2-N 3.04Å; G96-R152 PolarHBondContact O-NH1 3.34Å
97S91.2Very high93.8Very high14 Ų1450.9 Ų50.910%0.09827%0.266CS..  trans-69.4135.9-176.569.50000111.9V93 D94V93-S97 WeakPolarHBondContact CG1-OG 3.44Å; D94-S97 WeakPolarHBondContact O-CB 3.46Å; D94-S97 PolarHBondContact O-N 2.85Å; D94-S97 PolarHBondContact O-OG 3.16Å
98T93Very high93.7Very high68 Ų6854.6 Ų54.642%0.41730%0.304SS..  trans-94.9163.3170.864.80000111D100 E101 L102T98-D100 PolarHBondContact O-N 2.75Å; T98-E101 PolarHBondContact O-N 2.9Å; T98-E101 WeakPolarHBondContact OG1-CG 3.24Å; T98-E101 PolarHBondContact OG1-N 3.24Å; T98-L102 PolarHBondContact O-N 3.14Å
99A92.5Very high93.6Very high43 Ų4355.7 Ų55.736%0.35531%0.312SS..Hα-helixtrans-62.4-36.6174.700000111.7L102 E103 V115 I117A99-L102 PolarHBondContact O-N 3.48Å; A99-E103 WeakPolarHBondContact O-CB 3.21Å; A99-E103 PolarHBondContact O-N 2.7Å; A99-V115 HydrophobicContact CB-CB 4.27Å; A99-V115 HydrophobicContact CB-CG1 4.2Å; A99-I117 HydrophobicContact CB-CD1 4.3Å
100D94.7Very high93.5Very high120 Ų12052.9 Ų52.964%0.64231%0.305SS*.Hα-helixtrans-64.4-41.6178.5-172.140.1000112.2T98 L102 E103 A104T98-D100 PolarHBondContact O-N 2.75Å; D100-L102 PolarHBondContact O-N 3.22Å; D100-E103 PolarHBondContact O-N 3.05Å; D100-A104 WeakPolarHBondContact O-CB 3.41Å; D100-A104 PolarHBondContact O-N 3.32Å
101E94.1Very high93.5Very high66 Ų6656.4 Ų56.431%0.30833%0.328SS..Hα-helixtrans-64.2-40175.6-74.2174.5-174.300112.4T98 H105 F151 R152T98-E101 PolarHBondContact O-N 2.9Å; T98-E101 WeakPolarHBondContact OG1-CG 3.24Å; T98-E101 PolarHBondContact OG1-N 3.24Å; E101-H105 PolarHBondContact O-N 3.39Å; E101-H105 VanDerWaalsContact O-N 3.12Å; E101-F151 HydrophobicContact CB-CE2 4.1Å; E101-F151 HydrophobicContact CB-CZ 3.86Å; E101-R152 VanDerWaalsContact CD-NH1 3.27Å; E101-R152 IonicContact OE1-NH1 2.75Å; E101-R152 PolarHBondContact OE1-NH1 3.32Å; E101-R152 WeakPolarHBondContact OE2-CD 3.28Å; E101-R152 IonicContact OE2-CZ 3.44Å; E101-R152 IonicContact OE2-NE 3.4Å; E101-R152 IonicContact OE2-NH1 2.93Å; E101-R152 PolarHBondContact OE2-NH1 2.94Å
102L93.7Very high93.5Very high0 Ų057.9 Ų57.90%034%0.336CS..Hα-helixtrans-67.7-42175.2-70.8175.3000111.1V93 T98 A99 D100 H105 F106 V115 I117 A130 F151V93-L102 HydrophobicContact CG1-CD1 4.28Å; V93-L102 HydrophobicContact CG1-CD2 4.08Å; V93-L102 HydrophobicContact CG2-CD2 4.48Å; T98-L102 PolarHBondContact O-N 3.14Å; A99-L102 PolarHBondContact O-N 3.48Å; D100-L102 PolarHBondContact O-N 3.22Å; L102-H105 PolarHBondContact O-N 3.04Å; L102-F106 WeakPolarHBondContact O-CD2 3.42Å; L102-F106 PolarHBondContact O-N 2.85Å; L102-F106 VanDerWaalsContact O-N 3.1Å; L102-V115 HydrophobicContact CB-CG1 4.16Å; L102-V115 HydrophobicContact CD1-CG1 4.01Å; L102-I117 HydrophobicContact CD1-CD1 4.01Å; L102-I117 HydrophobicContact CD1-CG1 3.89Å; L102-A130 HydrophobicContact CD1-CB 3.75Å; L102-F151 HydrophobicContact CD2-CE1 4.2Å; L102-F151 HydrophobicContact CD2-CE2 4.39Å; L102-F151 HydrophobicContact CD2-CZ 4.01Å; L102-F151 HydrophobicContact CG-CZ 4.5Å
103E94.7Very high93.4Very high83 Ų8357 Ų5739%0.38833%0.331SS..Hα-helixtrans-59.2-49.2175.8-168.4-178.8153.200110.7A99 D100 H105 F106 R107 I112 V115A99-E103 WeakPolarHBondContact O-CB 3.21Å; A99-E103 PolarHBondContact O-N 2.7Å; D100-E103 PolarHBondContact O-N 3.05Å; E103-H105 VanDerWaalsContact C-N 3.31Å; E103-H105 PolarHBondContact O-N 3.35Å; E103-F106 PolarHBondContact O-N 3.12Å; E103-R107 VanDerWaalsContact O-CB 3.27Å; E103-R107 WeakPolarHBondContact O-CB 3.41Å; E103-R107 PolarHBondContact O-N 3.01Å; E103-I112 HydrophobicContact CB-CD1 4.33Å; E103-I112 HydrophobicContact CG-CB 4.37Å; E103-I112 HydrophobicContact CG-CD1 3.75Å; E103-I112 WeakPolarHBondContact O-CD1 3.45Å; E103-V115 HydrophobicContact CB-CG2 4.32Å
104A94.2Very high93.3Very high66 Ų6660.6 Ų60.655%0.54534%0.344SS..Hα-helixtrans-58.5-39.8178.400000112.9D100D100-A104 WeakPolarHBondContact O-CB 3.41Å; D100-A104 PolarHBondContact O-N 3.32Å
105H93.4Very high93.3Very high53 Ų5360.4 Ų60.425%0.24534%0.344CS..Hα-helixtrans-66.9-42.3178.2-177.5-78.5000112.3E101 L102 E103 S149 F151E101-H105 PolarHBondContact O-N 3.39Å; E101-H105 VanDerWaalsContact O-N 3.12Å; L102-H105 PolarHBondContact O-N 3.04Å; E103-H105 VanDerWaalsContact C-N 3.31Å; E103-H105 PolarHBondContact O-N 3.35Å; H105-S149 PolarHBondContact CE1-OG 3.24Å; H105-S149 PolarHBondContact NE2-OG 3.01Å; H105-F151 HydrophobicContact CB-CD2 4.36Å; H105-F151 HydrophobicContact CB-CE2 4.45Å
106F94.5Very high93.4Very high0 Ų055.8 Ų55.80%033%0.33CS..Hα-helixtrans-91.5-6.8-177.1-73-78.6000114.3V90 L102 E103 G108 C109 I112 I132 F134 A143 L146 L156 V158V90-F106 HydrophobicContact CG1-CE2 4.24Å; V90-F106 HydrophobicContact CG1-CZ 4.24Å; V90-F106 HydrophobicContact CG2-CE2 3.92Å; V90-F106 HydrophobicContact CG2-CZ 3.86Å; L102-F106 WeakPolarHBondContact O-CD2 3.42Å; L102-F106 PolarHBondContact O-N 2.85Å; L102-F106 VanDerWaalsContact O-N 3.1Å; E103-F106 PolarHBondContact O-N 3.12Å; F106-G108 PolarHBondContact O-N 3.2Å; F106-G108 VanDerWaalsContact O-N 3.14Å; F106-C109 WeakPolarHBondContact O-CB 3.37Å; F106-C109 PolarHBondContact O-N 3.2Å; F106-I112 HydrophobicContact CB-CD1 3.88Å; F106-I132 HydrophobicContact CB-CD1 4.18Å; F106-I132 HydrophobicContact CD2-CD1 3.16Å; F106-I132 HydrophobicContact CE2-CD1 3.59Å; F106-I132 HydrophobicContact CG-CD1 3.71Å; F106-I132 HydrophobicContact CZ-CD1 4.42Å; F106-F134 HydrophobicContact CB-CE1 4.27Å; F106-F134 HydrophobicContact CB-CZ 4.06Å; F106-F134 HydrophobicContact CD1-CZ 4.33Å; F106-F134 HydrophobicContact CG-CZ 4.46Å; F106-A143 HydrophobicContact CD1-CB 4.03Å; F106-A143 HydrophobicContact CE1-CB 4.21Å; F106-L146 HydrophobicContact CD1-CD1 4.48Å; F106-L156 HydrophobicContact CE2-CD1 4.14Å; F106-L156 HydrophobicContact CZ-CD1 4.15Å; F106-V158 HydrophobicContact CE1-CG1 4.33Å; F106-V158 HydrophobicContact CE1-CG2 4.2Å; F106-V158 HydrophobicContact CZ-CG2 3.94Å
107R93.6Very high93.5Very high189 Ų18956.2 Ų56.271%0.71332%0.323SS*.THydrogen-bonded Turntrans-57.1-29.9178.3-172.7173.6-177.6-179.92.3113.4E103 C109 G110E103-R107 VanDerWaalsContact O-CB 3.27Å; E103-R107 WeakPolarHBondContact O-CB 3.41Å; E103-R107 PolarHBondContact O-N 3.01Å; R107-C109 PolarHBondContact O-N 2.85Å; R107-G110 PolarHBondContact O-N 3.41Å
108G92.1Very high93.4Very high81 Ų8158.2 Ų58.284%0.83533%0.332SS*.THydrogen-bonded Turntrans-68.4-20176.200000114.3F106F106-G108 PolarHBondContact O-N 3.2Å; F106-G108 VanDerWaalsContact O-N 3.14Å
109C92.7Very high93.3Very high24 Ų2458.2 Ų58.216%0.16233%0.334CS..THydrogen-bonded Turntrans-84.3-31.8178.7-60.30000112.3F106 R107 F134 A142 A143 L146F106-C109 WeakPolarHBondContact O-CB 3.37Å; F106-C109 PolarHBondContact O-N 3.2Å; R107-C109 PolarHBondContact O-N 2.85Å; C109-F134 HydrophobicContact CB-CE1 4.46Å; C109-A142 HydrophobicContact CB-CB 3.86Å; C109-A143 HydrophobicContact CB-CB 4.41Å; C109-L146 WeakPolarHBondContact SG-CD1 3.49Å
110G94.1Very high93.1Very high14 Ų1459.2 Ų59.214%0.14433%0.333CS..SBendtrans165.4175.7179.900000113.8R107R107-G110 PolarHBondContact O-N 3.41Å
111P94.8Very high92.8Very high74 Ų7463 Ų6348%0.48134%0.344SS..  trans-65.8131.5175.827.2-34000111.6D135P111-D135 HydrophobicContact CB-CB 4.32Å; P111-D135 HydrophobicContact CG-CB 3.85Å; P111-D135 PolarHBondContact O-N 2.93Å
112I95Very high92.5Very high33 Ų3369.1 Ų69.117%0.16937%0.37CS..EExtended strand (participates in β ladder)trans-101.9129.1-177.4-64.3166.6000109.1E103 F106 V115 I132 F134E103-I112 HydrophobicContact CB-CD1 4.33Å; E103-I112 HydrophobicContact CG-CB 4.37Å; E103-I112 HydrophobicContact CG-CD1 3.75Å; E103-I112 WeakPolarHBondContact O-CD1 3.45Å; F106-I112 HydrophobicContact CB-CD1 3.88Å; I112-V115 HydrophobicContact CG2-CG2 3.85Å; I112-I132 HydrophobicContact CD1-CG2 4.26Å; I112-I132 HydrophobicContact CG1-CG2 4.11Å; I112-I132 HydrophobicContact CG2-CG2 3.89Å; I112-F134 HydrophobicContact CD1-CE1 4.21Å; I112-F134 HydrophobicContact CG1-CD1 3.78Å; I112-F134 HydrophobicContact CG1-CE1 3.6Å
113N92.9Very high92.3Very high58 Ų5872.7 Ų72.731%0.3139%0.392SS..EExtended strand (participates in β ladder)trans-84.2-43.9174.5-79.8-16.9000111.6E133N113-E133 HydrophobicContact CB-CB 4.32Å; N113-E133 HydrophobicContact CB-CG 3.97Å; N113-E133 WeakPolarHBondContact CB-OE1 3.49Å; N113-E133 PolarHBondContact N-O 3.42Å; N113-E133 PolarHBondContact ND2-OE1 3.43Å; N113-E133 VanDerWaalsContact ND2-OE1 3.14Å
114R91.4Very high92Very high76 Ų7671.2 Ų71.229%0.28740%0.399SS..EExtended strand (participates in β ladder)trans-158.2139-173.2179.7176.8160.8174.4-2.7112.2K69 S70 T116 E133K69-R114 PolarHBondContact O-NH1 3.24Å; S70-R114 PolarHBondContact O-NH1 3.38Å; R114-T116 PolarHBondContact NE-OG1 3.47Å; R114-E133 HydrophobicContact CB-CB 4.22Å; R114-E133 PolarHBondContact N-O 2.97Å; R114-E133 PolarHBondContact O-N 2.85Å
115V94.3Very high91.6Very high28 Ų2874.3 Ų74.317%0.1740%0.402CS..EExtended strand (participates in β ladder)trans-111.4129.7168.4-1780000109.3A99 L102 E103 I112 I117 I132A99-V115 HydrophobicContact CB-CB 4.27Å; A99-V115 HydrophobicContact CB-CG1 4.2Å; L102-V115 HydrophobicContact CB-CG1 4.16Å; L102-V115 HydrophobicContact CD1-CG1 4.01Å; E103-V115 HydrophobicContact CB-CG2 4.32Å; I112-V115 HydrophobicContact CG2-CG2 3.85Å; V115-I117 HydrophobicContact CG1-CG1 4.45Å; V115-I132 HydrophobicContact CG1-CG1 4.38Å; V115-I132 HydrophobicContact CG2-CG1 4.4Å; V115-I132 HydrophobicContact CG2-CG2 4.48Å
116T93Very high91.3Very high41 Ų4173.2 Ų73.225%0.25240%0.399SS..EExtended strand (participates in β ladder)trans-123.6107.1179.1-56.50000110.1R114 L118 A130 Y131R114-T116 PolarHBondContact NE-OG1 3.47Å; T116-L118 HydrophobicContact CG2-CD1 4.13Å; T116-A130 CarbonylContact O-C 3.49Å; T116-A130 VanDerWaalsContact O-CA 3.24Å; T116-A130 WeakPolarHBondContact O-CA 3.48Å; T116-Y131 PolarHBondContact N-O 2.93Å; T116-Y131 PolarHBondContact O-N 2.93Å
117I92.7Very high91Very high49 Ų4980 Ų8025%0.25143%0.429SS..EExtended strand (participates in β ladder)trans-89.6127.3174.2-61.7169.5000108.8A99 L102 V115 A130A99-I117 HydrophobicContact CB-CD1 4.3Å; L102-I117 HydrophobicContact CD1-CD1 4.01Å; L102-I117 HydrophobicContact CD1-CG1 3.89Å; V115-I117 HydrophobicContact CG1-CG1 4.45Å; I117-A130 HydrophobicContact CG1-CB 4.2Å
118L90.5Very high91Very high56 Ų5671.4 Ų71.429%0.29340%0.399SS..EExtended strand (participates in β ladder)trans-93.8119.5178.7-81.289.9000111.8T116 K127 F129 Y131T116-L118 HydrophobicContact CG2-CD1 4.13Å; L118-K127 PolarHBondContact O-N 3.38Å; L118-F129 HydrophobicContact CB-CD1 4.42Å; L118-F129 HydrophobicContact CB-CD2 4.11Å; L118-F129 HydrophobicContact CB-CE1 3.77Å; L118-F129 HydrophobicContact CB-CE2 3.47Å; L118-F129 VanDerWaalsContact CB-CE2 3.47Å; L118-F129 HydrophobicContact CB-CZ 3.27Å; L118-F129 HydrophobicContact CD1-CD2 4.12Å; L118-F129 HydrophobicContact CD1-CE2 3.63Å; L118-F129 HydrophobicContact CD1-CZ 4.28Å; L118-F129 HydrophobicContact CD2-CE2 3.53Å; L118-F129 HydrophobicContact CD2-CZ 3.52Å; L118-F129 HydrophobicContact CG-CE2 3.68Å; L118-F129 HydrophobicContact CG-CZ 3.82Å; L118-F129 PolarHBondContact N-O 2.91Å; L118-Y131 HydrophobicContact CD1-CD2 3.37Å; L118-Y131 HydrophobicContact CD1-CE2 3.4Å; L118-Y131 HydrophobicContact CD2-CE2 4.34Å
119C89.8Confident91.1Very high68 Ų6868.6 Ų68.646%0.45936%0.364SS..EExtended strand (participates in β ladder)trans-100.9149.4173-58.30000111.4K121C119-K121 PolarHBondContact O-N 3.49Å
120N90Very high91.2Very high64 Ų6467.5 Ų67.534%0.34236%0.357SS..PPolyproline II helixtrans-68.1125.2173-176.4-1.3000109.5F122 T123 G124 H125N120-F122 PolarHBondContact O-N 2.85Å; N120-F122 WeakPolarHBondContact OD1-CD2 3.5Å; N120-F122 PolarHBondContact OD1-N 2.92Å; N120-T123 WeakPolarHBondContact CB-OG1 3.5Å; N120-T123 PolarHBondContact ND2-OG1 3.49Å; N120-G124 VanDerWaalsContact O-CA 3.29Å; N120-G124 WeakPolarHBondContact O-CA 3.24Å; N120-G124 PolarHBondContact O-N 3.37Å; N120-H125 WeakPolarHBondContact CB-O 3.47Å; N120-H125 PolarHBondContact N-O 3.29Å
121K88.3Confident91.3Very high201 Ų20170.1 Ų70.187%0.87436%0.363SS*.THydrogen-bonded Turntrans-62.2-26.8-176.7-60.5179.2-179.4-174.10113.5C119C119-K121 PolarHBondContact O-N 3.49Å
122F87.6Confident91.3Very high194 Ų19466.6 Ų66.685%0.85134%0.34SS*.THydrogen-bonded Turntrans-89.5-37.8-175.4-58-71.6000113.2N120N120-F122 PolarHBondContact O-N 2.85Å; N120-F122 WeakPolarHBondContact OD1-CD2 3.5Å; N120-F122 PolarHBondContact OD1-N 2.92Å
123T89.4Confident91.3Very high75 Ų7566.6 Ų66.646%0.4634%0.339SS..THydrogen-bonded Turntrans-105-12.6-175.859.20000113.3N120 H125N120-T123 WeakPolarHBondContact CB-OG1 3.5Å; N120-T123 PolarHBondContact ND2-OG1 3.49Å; T123-H125 PolarHBondContact O-N 3.36Å; T123-H125 PolarHBondContact OG1-N 2.9Å
124G87.4Confident91.4Very high52 Ų5263.8 Ų63.854%0.53632%0.324SS..  trans69.2-13.8-17000000114N120N120-G124 VanDerWaalsContact O-CA 3.29Å; N120-G124 WeakPolarHBondContact O-CA 3.24Å; N120-G124 PolarHBondContact O-N 3.37Å
125H85.2Confident91.5Very high130 Ų13064 Ų6460%0.60233%0.331SS*.  trans-65.5136.2-179.4-64.4-49.8000111.2N120 T123 K127N120-H125 WeakPolarHBondContact CB-O 3.47Å; N120-H125 PolarHBondContact N-O 3.29Å; T123-H125 PolarHBondContact O-N 3.36Å; T123-H125 PolarHBondContact OG1-N 2.9Å; H125-K127 PolarHBondContact O-N 3.16Å
126P87.5Confident91.5Very high30 Ų3065.4 Ų65.420%0.19534%0.339CS..EExtended strand (participates in β ladder)trans-60137.1174.417.8-22.7000109.8Y95 G128Y95-P126 HydrophobicContact CD1-CG 4.3Å; Y95-P126 WeakPolarHBondContact CD1-O 3.39Å; Y95-P126 WeakPolarHBondContact O-CG 3.49Å; P126-G128 PolarHBondContact O-N 3.46Å
127K89.8Confident91.5Very high142 Ų14270 Ų7062%0.61735%0.352SS*.EExtended strand (participates in β ladder)trans-84-3.3-177.6-178166.3141.3-157.60112.3L118 H125 F129L118-K127 PolarHBondContact O-N 3.38Å; H125-K127 PolarHBondContact O-N 3.16Å; K127-F129 HydrophobicContact CB-CD1 3.74Å; K127-F129 HydrophobicContact CB-CE1 3.5Å; K127-F129 VanDerWaalsContact CB-CE1 3.5Å; K127-F129 HydrophobicContact CD-CD1 4.14Å; K127-F129 HydrophobicContact CD-CE1 3.42Å; K127-F129 VanDerWaalsContact CD-CE1 3.42Å; K127-F129 HydrophobicContact CD-CZ 4.35Å; K127-F129 HydrophobicContact CG-CD1 3.68Å; K127-F129 HydrophobicContact CG-CE1 3.43Å; K127-F129 VanDerWaalsContact CG-CE1 3.43Å
128G92.6Very high91.6Very high9 Ų973.2 Ų73.29%0.09337%0.37CS..EExtended strand (participates in β ladder)trans82.729.8178.800000113.7N92 V93 P126N92-G128 PolarHBondContact N-O 3.3Å; V93-G128 PolarHBondContact N-O 3.48Å; V93-G128 VanDerWaalsContact O-CA 3.28Å; V93-G128 WeakPolarHBondContact O-CA 3.29Å; P126-G128 PolarHBondContact O-N 3.46Å
129F94.2Very high91.8Very high23 Ų2370.5 Ų70.510%0.10136%0.356CS..EExtended strand (participates in β ladder)trans-145.3151.1171.772.2-80.2000112Y89 V90 L118 K127 Y131Y89-F129 HydrophobicContact CD2-CD2 4.49Å; Y89-F129 HydrophobicContact CE2-CB 3.76Å; Y89-F129 AromaticContact CE2-CD2 3.9Å; Y89-F129 HydrophobicContact CE2-CD2 3.9Å; Y89-F129 HydrophobicContact CE2-CG 4.13Å; V90-F129 CarbonylContact O-C 3.51Å; V90-F129 WeakPolarHBondContact O-CA 2.97Å; V90-F129 WeakPolarHBondContact O-CB 3.32Å; L118-F129 HydrophobicContact CB-CD1 4.42Å; L118-F129 HydrophobicContact CB-CD2 4.11Å; L118-F129 HydrophobicContact CB-CE1 3.77Å; L118-F129 HydrophobicContact CB-CE2 3.47Å; L118-F129 VanDerWaalsContact CB-CE2 3.47Å; L118-F129 HydrophobicContact CB-CZ 3.27Å; L118-F129 HydrophobicContact CD1-CD2 4.12Å; L118-F129 HydrophobicContact CD1-CE2 3.63Å; L118-F129 HydrophobicContact CD1-CZ 4.28Å; L118-F129 HydrophobicContact CD2-CE2 3.53Å; L118-F129 HydrophobicContact CD2-CZ 3.52Å; L118-F129 HydrophobicContact CG-CE2 3.68Å; L118-F129 HydrophobicContact CG-CZ 3.82Å; L118-F129 PolarHBondContact N-O 2.91Å; K127-F129 HydrophobicContact CB-CD1 3.74Å; K127-F129 HydrophobicContact CB-CE1 3.5Å; K127-F129 VanDerWaalsContact CB-CE1 3.5Å; K127-F129 HydrophobicContact CD-CD1 4.14Å; K127-F129 HydrophobicContact CD-CE1 3.42Å; K127-F129 VanDerWaalsContact CD-CE1 3.42Å; K127-F129 HydrophobicContact CD-CZ 4.35Å; K127-F129 HydrophobicContact CG-CD1 3.68Å; K127-F129 HydrophobicContact CG-CE1 3.43Å; K127-F129 VanDerWaalsContact CG-CE1 3.43Å; F129-Y131 HydrophobicContact CD2-CE2 4.41Å; F129-Y131 HydrophobicContact CE2-CE2 4.08Å
130A95Very high92Very high0 Ų067.8 Ų67.80%034%0.337CS..EExtended strand (participates in β ladder)trans-138.8159.9-179.400000111.1V90 V93 L102 T116 I117V90-A130 PolarHBondContact N-O 3.43Å; V90-A130 PolarHBondContact O-N 3.21Å; V93-A130 HydrophobicContact CG2-CB 4.43Å; L102-A130 HydrophobicContact CD1-CB 3.75Å; T116-A130 CarbonylContact O-C 3.49Å; T116-A130 VanDerWaalsContact O-CA 3.24Å; T116-A130 WeakPolarHBondContact O-CA 3.48Å; I117-A130 HydrophobicContact CG1-CB 4.2Å
131Y95.4Very high92.2Very high69 Ų6971.5 Ų71.527%0.27135%0.352SS..EExtended strand (participates in β ladder)trans-115.9136.6166.5-60.8-69.5000109.7V88 Y89 T116 L118 F129 K161V88-Y131 VanDerWaalsContact O-CA 3.3Å; V88-Y131 WeakPolarHBondContact O-CA 3.06Å; Y89-Y131 HydrophobicContact CD2-CD1 4.34Å; Y89-Y131 AromaticContact CD2-CE1 3.7Å; Y89-Y131 HydrophobicContact CD2-CE1 3.7Å; Y89-Y131 HydrophobicContact CG-CE1 4.41Å; T116-Y131 PolarHBondContact N-O 2.93Å; T116-Y131 PolarHBondContact O-N 2.93Å; L118-Y131 HydrophobicContact CD1-CD2 3.37Å; L118-Y131 HydrophobicContact CD1-CE2 3.4Å; L118-Y131 HydrophobicContact CD2-CE2 4.34Å; F129-Y131 HydrophobicContact CD2-CE2 4.41Å; F129-Y131 HydrophobicContact CE2-CE2 4.08Å; Y131-K161 HydrophobicContact CD1-CD 4.01Å; Y131-K161 HydrophobicContact CD1-CG 4.03Å; Y131-K161 HydrophobicContact CE1-CD 4.4Å; Y131-K161 HydrophobicContact CE1-CG 4.07Å
132I95.1Very high92.5Very high1 Ų163.8 Ų63.81%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-119.9123.7176.8-57.5179.7000107.4S87 V88 V90 F106 I112 V115 F134S87-I132 CarbonylContact C-O 3.57Å; S87-I132 WeakPolarHBondContact CA-O 3.06Å; V88-I132 PolarHBondContact N-O 3.3Å; V88-I132 PolarHBondContact O-N 3.44Å; V90-I132 HydrophobicContact CG2-CD1 3.79Å; V90-I132 HydrophobicContact CG2-CG1 4.16Å; F106-I132 HydrophobicContact CB-CD1 4.18Å; F106-I132 HydrophobicContact CD2-CD1 3.16Å; F106-I132 HydrophobicContact CE2-CD1 3.59Å; F106-I132 HydrophobicContact CG-CD1 3.71Å; F106-I132 HydrophobicContact CZ-CD1 4.42Å; I112-I132 HydrophobicContact CD1-CG2 4.26Å; I112-I132 HydrophobicContact CG1-CG2 4.11Å; I112-I132 HydrophobicContact CG2-CG2 3.89Å; V115-I132 HydrophobicContact CG1-CG1 4.38Å; V115-I132 HydrophobicContact CG2-CG1 4.4Å; V115-I132 HydrophobicContact CG2-CG2 4.48Å; I132-F134 HydrophobicContact CB-CE2 4.36Å; I132-F134 HydrophobicContact CG2-CD2 4.39Å; I132-F134 HydrophobicContact CG2-CE1 4.08Å; I132-F134 HydrophobicContact CG2-CE2 3.9Å; I132-F134 HydrophobicContact CG2-CZ 3.74Å
133E95Very high92.9Very high32 Ų3254.6 Ų54.615%0.1529%0.286CS..EExtended strand (participates in β ladder)trans-97122.4173.8-176.8-167.8145.800108.7V83 N113 R114V83-E133 HydrophobicContact CG1-CG 4.05Å; N113-E133 HydrophobicContact CB-CB 4.32Å; N113-E133 HydrophobicContact CB-CG 3.97Å; N113-E133 WeakPolarHBondContact CB-OE1 3.49Å; N113-E133 PolarHBondContact N-O 3.42Å; N113-E133 PolarHBondContact ND2-OE1 3.43Å; N113-E133 VanDerWaalsContact ND2-OE1 3.14Å; R114-E133 HydrophobicContact CB-CB 4.22Å; R114-E133 PolarHBondContact N-O 2.97Å; R114-E133 PolarHBondContact O-N 2.85Å
134F96Very high93.1Very high0 Ų054 Ų540%028%0.28CS..EExtended strand (participates in β ladder)trans-97.3160173.7-65.4-78.2000111.3R86 V88 F106 C109 I112 I132 A139 V140 A143R86-F134 WeakPolarHBondContact CB-O 3.41Å; R86-F134 PolarHBondContact O-N 3.35Å; V88-F134 HydrophobicContact CB-CE2 4.09Å; V88-F134 HydrophobicContact CG2-CD2 4.03Å; V88-F134 HydrophobicContact CG2-CE2 3.63Å; F106-F134 HydrophobicContact CB-CE1 4.27Å; F106-F134 HydrophobicContact CB-CZ 4.06Å; F106-F134 HydrophobicContact CD1-CZ 4.33Å; F106-F134 HydrophobicContact CG-CZ 4.46Å; C109-F134 HydrophobicContact CB-CE1 4.46Å; I112-F134 HydrophobicContact CD1-CE1 4.21Å; I112-F134 HydrophobicContact CG1-CD1 3.78Å; I112-F134 HydrophobicContact CG1-CE1 3.6Å; I132-F134 HydrophobicContact CB-CE2 4.36Å; I132-F134 HydrophobicContact CG2-CD2 4.39Å; I132-F134 HydrophobicContact CG2-CE1 4.08Å; I132-F134 HydrophobicContact CG2-CE2 3.9Å; I132-F134 HydrophobicContact CG2-CZ 3.74Å; F134-A139 HydrophobicContact CB-CB 3.72Å; F134-A139 HydrophobicContact CD1-CB 3.66Å; F134-A139 HydrophobicContact CD2-CB 4.37Å; F134-A139 HydrophobicContact CE1-CB 4.34Å; F134-A139 HydrophobicContact CG-CB 3.66Å; F134-V140 HydrophobicContact CD2-CG2 4.04Å; F134-A143 HydrophobicContact CE2-CB 3.77Å; F134-A143 HydrophobicContact CZ-CB 3.79Å
135D93.4Very high93.5Very high81 Ų8155.6 Ų55.643%0.43329%0.288SS..SBendtrans-75.6-34173.7-16128.1000112.2R86 P111R86-D135 WeakPolarHBondContact CD-O 3.33Å; R86-D135 PolarHBondContact NH1-O 3.34Å; R86-D135 IonicContact NH1-OD1 3.25Å; R86-D135 PolarHBondContact NH1-OD1 3.03Å; P111-D135 HydrophobicContact CB-CB 4.32Å; P111-D135 HydrophobicContact CG-CB 3.85Å; P111-D135 PolarHBondContact O-N 2.93Å
136T93.5Very high93.8Very high56 Ų5652.6 Ų52.634%0.34428%0.275SS..SBendtrans-113.7154.4-178.160.90000112.1A139T136-A139 WeakPolarHBondContact OG1-CB 3.29Å; T136-A139 PolarHBondContact OG1-N 2.92Å
137R92.9Very high94.1Very high137 Ų13754.1 Ų54.152%0.51728%0.282SS..SBendtrans-71.1-34.8172.9-66.9179.7-175.7175.42.8111.3R86 A139 V140 E141R86-R137 HydrophobicContact CG-CG 3.72Å; R137-A139 PolarHBondContact O-N 3.29Å; R137-V140 WeakPolarHBondContact O-CA 3.42Å; R137-V140 WeakPolarHBondContact O-CB 3.36Å; R137-V140 PolarHBondContact O-N 3.4Å; R137-E141 PolarHBondContact O-N 3.05Å
138D94.3Very high94.2Very high117 Ų11752 Ų5263%0.62628%0.277SS*.Hα-helixtrans-59.5-33.8178.3-52.4-13.6000112.1V140 E141 A142D138-V140 PolarHBondContact O-N 3.35Å; D138-E141 PolarHBondContact O-N 3.42Å; D138-A142 PolarHBondContact O-N 3.04Å
139A94.7Very high94.2Very high0 Ų052.6 Ų52.60%028%0.28CS..Hα-helixtrans-64.9-28.3175.400000112.8F134 T136 R137 A143F134-A139 HydrophobicContact CB-CB 3.72Å; F134-A139 HydrophobicContact CD1-CB 3.66Å; F134-A139 HydrophobicContact CD2-CB 4.37Å; F134-A139 HydrophobicContact CE1-CB 4.34Å; F134-A139 HydrophobicContact CG-CB 3.66Å; T136-A139 WeakPolarHBondContact OG1-CB 3.29Å; T136-A139 PolarHBondContact OG1-N 2.92Å; R137-A139 PolarHBondContact O-N 3.29Å; A139-A143 VanDerWaalsContact O-CB 3.27Å; A139-A143 WeakPolarHBondContact O-CB 3.43Å; A139-A143 PolarHBondContact O-N 3.21Å
140V94.7Very high94.1Very high11 Ų1156.3 Ų56.37%0.06731%0.309CS..Hα-helixtrans-66.8-44.1173.6172.30000110.6R86 V88 F134 R137 D138 A143 I144R86-V140 VanDerWaalsContact C-CG2 3.42Å; R86-V140 WeakPolarHBondContact O-CG2 3.28Å; V88-V140 HydrophobicContact CG2-CB 4.05Å; V88-V140 HydrophobicContact CG2-CG1 3.68Å; V88-V140 HydrophobicContact CG2-CG2 3.98Å; F134-V140 HydrophobicContact CD2-CG2 4.04Å; R137-V140 WeakPolarHBondContact O-CA 3.42Å; R137-V140 WeakPolarHBondContact O-CB 3.36Å; R137-V140 PolarHBondContact O-N 3.4Å; D138-V140 PolarHBondContact O-N 3.35Å; V140-A143 PolarHBondContact O-N 2.95Å; V140-I144 HydrophobicContact CG1-CD1 3.9Å; V140-I144 WeakPolarHBondContact O-CD1 3.34Å; V140-I144 VanDerWaalsContact O-CG1 3.27Å; V140-I144 WeakPolarHBondContact O-CG1 3.49Å; V140-I144 PolarHBondContact O-N 3.48Å
141E95Very high93.9Very high141 Ų14157.1 Ų57.166%0.65931%0.313SS*.Hα-helixtrans-64.5-43.2178.1-61.4-173.5172.600111.3R137 D138 A143 I144 A145R137-E141 PolarHBondContact O-N 3.05Å; D138-E141 PolarHBondContact O-N 3.42Å; E141-A143 VanDerWaalsContact C-N 3.34Å; E141-A143 PolarHBondContact O-N 3.04Å; E141-I144 PolarHBondContact O-N 3.09Å; E141-A145 PolarHBondContact O-N 3.34Å; E141-A145 VanDerWaalsContact O-N 3.12Å
142A95Very high93.7Very high40 Ų4059.1 Ų59.133%0.33132%0.32SS..Hα-helixtrans-62.4-39.5173.800000112.4C109 D138 A145 L146C109-A142 HydrophobicContact CB-CB 3.86Å; D138-A142 PolarHBondContact O-N 3.04Å; A142-A145 WeakPolarHBondContact O-CB 3.31Å; A142-A145 PolarHBondContact O-N 3.34Å; A142-L146 PolarHBondContact O-N 3.25Å
143A94.8Very high93.5Very high0 Ų065.3 Ų65.30%036%0.363CS..Hα-helixtrans-66.5-38.4176.400000112.3V88 F106 C109 F134 A139 V140 E141 A145 L146 V158V88-A143 HydrophobicContact CG1-CB 4.5Å; V88-A143 HydrophobicContact CG2-CB 4.1Å; F106-A143 HydrophobicContact CD1-CB 4.03Å; F106-A143 HydrophobicContact CE1-CB 4.21Å; C109-A143 HydrophobicContact CB-CB 4.41Å; F134-A143 HydrophobicContact CE2-CB 3.77Å; F134-A143 HydrophobicContact CZ-CB 3.79Å; A139-A143 VanDerWaalsContact O-CB 3.27Å; A139-A143 WeakPolarHBondContact O-CB 3.43Å; A139-A143 PolarHBondContact O-N 3.21Å; V140-A143 PolarHBondContact O-N 2.95Å; E141-A143 VanDerWaalsContact C-N 3.34Å; E141-A143 PolarHBondContact O-N 3.04Å; A143-A145 PolarHBondContact O-N 2.93Å; A143-L146 WeakPolarHBondContact O-CB 3.46Å; A143-L146 PolarHBondContact O-N 2.96Å; A143-V158 VanDerWaalsContact O-CG1 3.32Å; A143-V158 WeakPolarHBondContact O-CG1 3.22Å
144I94.8Very high93.4Very high64 Ų6466.5 Ų66.533%0.32837%0.366SS..Hα-helixtrans-62.4-33.6173.7-68160.1000110.9V140 E141 L146 D147 P160V140-I144 HydrophobicContact CG1-CD1 3.9Å; V140-I144 WeakPolarHBondContact O-CD1 3.34Å; V140-I144 VanDerWaalsContact O-CG1 3.27Å; V140-I144 WeakPolarHBondContact O-CG1 3.49Å; V140-I144 PolarHBondContact O-N 3.48Å; E141-I144 PolarHBondContact O-N 3.09Å; I144-L146 PolarHBondContact O-N 2.97Å; I144-D147 WeakPolarHBondContact O-CB 3.49Å; I144-D147 PolarHBondContact O-N 3.31Å; I144-P160 HydrophobicContact CD1-CB 4.22Å; I144-P160 HydrophobicContact CD1-CG 4.27Å
145A94.4Very high93.4Very high85 Ų8572.5 Ų72.570%0.70239%0.394SS*.THydrogen-bonded Turntrans-66.8-17174.500000113.5E141 A142 A143 D147E141-A145 PolarHBondContact O-N 3.34Å; E141-A145 VanDerWaalsContact O-N 3.12Å; A142-A145 WeakPolarHBondContact O-CB 3.31Å; A142-A145 PolarHBondContact O-N 3.34Å; A143-A145 PolarHBondContact O-N 2.93Å; A145-D147 VanDerWaalsContact C-N 3.31Å
146L91.8Very high93.4Very high66 Ų6668.7 Ų68.735%0.34637%0.374SS..THydrogen-bonded Turntrans-90.619170.7-63.8-175.2000113.3F106 C109 A142 A143 I144 S149F106-L146 HydrophobicContact CD1-CD1 4.48Å; C109-L146 WeakPolarHBondContact SG-CD1 3.49Å; A142-L146 PolarHBondContact O-N 3.25Å; A143-L146 WeakPolarHBondContact O-CB 3.46Å; A143-L146 PolarHBondContact O-N 2.96Å; I144-L146 PolarHBondContact O-N 2.97Å; L146-S149 WeakPolarHBondContact O-CB 3.13Å; L146-S149 PolarHBondContact O-N 2.96Å; L146-S149 PolarHBondContact O-OG 3.35Å
147D93.7Very high93.6Very high63 Ų6371.4 Ų71.434%0.33738%0.381SS..THydrogen-bonded Turntrans-57.2143.8168.6-162.824.6000110.5I144 A145 S149 K157 V158I144-D147 WeakPolarHBondContact O-CB 3.49Å; I144-D147 PolarHBondContact O-N 3.31Å; A145-D147 VanDerWaalsContact C-N 3.31Å; D147-S149 PolarHBondContact O-N 3.37Å; D147-K157 WeakPolarHBondContact OD1-CA 3.47Å; D147-V158 HydrophobicContact CB-CB 4.36Å; D147-V158 PolarHBondContact OD1-N 3.14Å
148D92.7Very high93.7Very high97 Ų9764.9 Ų64.952%0.51936%0.356SS..THydrogen-bonded Turntrans62.114.2-174.1-60.8-40.7000116.5L156D148-L156 VanDerWaalsContact CA-O 3.22Å; D148-L156 WeakPolarHBondContact CA-O 3.43Å; D148-L156 PolarHBondContact N-O 2.97Å
149S92.5Very high93.8Very high22 Ų2262.7 Ų62.715%0.15434%0.344CS..  trans-61.7144.7174.180.30000112.1H105 L146 D147 F151 Q155 L156H105-S149 PolarHBondContact CE1-OG 3.24Å; H105-S149 PolarHBondContact NE2-OG 3.01Å; L146-S149 WeakPolarHBondContact O-CB 3.13Å; L146-S149 PolarHBondContact O-N 2.96Å; L146-S149 PolarHBondContact O-OG 3.35Å; D147-S149 PolarHBondContact O-N 3.37Å; S149-F151 PolarHBondContact O-N 3.01Å; S149-Q155 WeakPolarHBondContact O-CA 3.46Å; S149-L156 PolarHBondContact O-N 3.37Å
150S91.5Very high93.7Very high101 Ų10166.1 Ų66.171%0.70637%0.366SS*.EExtended strand (participates in β ladder)trans-80.3115.7179.560.40000111.5
151F91.7Very high93.7Very high16 Ų1667.8 Ų67.87%0.0737%0.373CS..EExtended strand (participates in β ladder)trans-127.7120.3175.8-178.3-97.5000110V93 E101 L102 H105 S149 S153 R154 L156V93-F151 HydrophobicContact CG1-CE1 4.46Å; E101-F151 HydrophobicContact CB-CE2 4.1Å; E101-F151 HydrophobicContact CB-CZ 3.86Å; L102-F151 HydrophobicContact CD2-CE1 4.2Å; L102-F151 HydrophobicContact CD2-CE2 4.39Å; L102-F151 HydrophobicContact CD2-CZ 4.01Å; L102-F151 HydrophobicContact CG-CZ 4.5Å; H105-F151 HydrophobicContact CB-CD2 4.36Å; H105-F151 HydrophobicContact CB-CE2 4.45Å; S149-F151 PolarHBondContact O-N 3.01Å; F151-S153 PolarHBondContact O-N 3.42Å; F151-R154 PolarHBondContact N-O 3.02Å; F151-R154 PolarHBondContact O-N 3.45Å; F151-L156 HydrophobicContact CB-CD1 3.62Å; F151-L156 HydrophobicContact CB-CD2 3.81Å; F151-L156 HydrophobicContact CB-CG 3.57Å; F151-L156 HydrophobicContact CD1-CD2 4.07Å; F151-L156 HydrophobicContact CG-CD1 4.05Å; F151-L156 HydrophobicContact CG-CD2 4.2Å; F151-L156 HydrophobicContact CG-CG 4.32Å
152R90.8Very high93.3Very high111 Ų11169.2 Ų69.242%0.41937%0.372SS..THydrogen-bonded Turntrans47.644.9-178.2-62.3173.968.6110.62.3113D94 G96 E101 R154D94-R152 HydrophobicContact CB-CB 4.07Å; D94-R152 IonicContact OD2-CZ 2.63Å; D94-R152 IonicContact OD2-NE 3.55Å; D94-R152 PolarHBondContact OD2-NE 2.88Å; D94-R152 IonicContact OD2-NH2 3.56Å; D94-R152 PolarHBondContact OD2-NH2 2.8Å; G96-R152 PolarHBondContact O-NH1 3.34Å; E101-R152 VanDerWaalsContact CD-NH1 3.27Å; E101-R152 IonicContact OE1-NH1 2.75Å; E101-R152 PolarHBondContact OE1-NH1 3.32Å; E101-R152 WeakPolarHBondContact OE2-CD 3.28Å; E101-R152 IonicContact OE2-CZ 3.44Å; E101-R152 IonicContact OE2-NE 3.4Å; E101-R152 IonicContact OE2-NH1 2.93Å; E101-R152 PolarHBondContact OE2-NH1 2.94Å; R152-R154 PolarHBondContact O-N 2.94Å
153S90.2Very high92.9Very high131 Ų13169.7 Ų69.792%0.91637%0.371SS*.THydrogen-bonded Turntrans66.116.6-178.4-46.60000115.6F151F151-S153 PolarHBondContact O-N 3.42Å
154R92.8Very high92.1Very high58 Ų5876.4 Ų76.422%0.21941%0.407CS..EExtended strand (participates in β ladder)trans-124.1144.4175-62171.768.31570.9109.1N92 D94 F151 R152N92-R154 PolarHBondContact O-NE 3.34Å; N92-R154 PolarHBondContact OD1-NH2 2.81Å; D94-R154 IonicContact OD1-NH1 2.84Å; F151-R154 PolarHBondContact N-O 3.02Å; F151-R154 PolarHBondContact O-N 3.45Å; R152-R154 PolarHBondContact O-N 2.94Å
155Q95.2Very high91.3Very high125 Ų12577 Ų7758%0.58441%0.413SS*.EExtended strand (participates in β ladder)trans-82.2126.4173.2-71.1172.9-27.800109.4N92 S149N92-Q155 PolarHBondContact ND2-O 3.46Å; S149-Q155 WeakPolarHBondContact O-CA 3.46Å
156L95.4Very high90.4Very high1 Ų178.5 Ų78.51%0.00542%0.416CS..  trans-76.4147.3176.2-63-177.9000110.3V90 V93 F106 D148 S149 F151 V158V90-L156 HydrophobicContact CG1-CB 4.31Å; V90-L156 HydrophobicContact CG1-CD1 4.09Å; V90-L156 HydrophobicContact CG1-CD2 4.14Å; V90-L156 HydrophobicContact CG1-CG 4.42Å; V93-L156 HydrophobicContact CG2-CD2 4.17Å; F106-L156 HydrophobicContact CE2-CD1 4.14Å; F106-L156 HydrophobicContact CZ-CD1 4.15Å; D148-L156 VanDerWaalsContact CA-O 3.22Å; D148-L156 WeakPolarHBondContact CA-O 3.43Å; D148-L156 PolarHBondContact N-O 2.97Å; S149-L156 PolarHBondContact O-N 3.37Å; F151-L156 HydrophobicContact CB-CD1 3.62Å; F151-L156 HydrophobicContact CB-CD2 3.81Å; F151-L156 HydrophobicContact CB-CG 3.57Å; F151-L156 HydrophobicContact CD1-CD2 4.07Å; F151-L156 HydrophobicContact CG-CD1 4.05Å; F151-L156 HydrophobicContact CG-CD2 4.2Å; F151-L156 HydrophobicContact CG-CG 4.32Å; L156-V158 HydrophobicContact CB-CG2 4.25Å
157K96.1Very high89.5Confident113 Ų11379.4 Ų79.449%0.49144%0.441SS..EExtended strand (participates in β ladder)trans-107.5113.3169.7-178.8166.3-175.1163.20109.6V90 G91 D147 L159V90-K157 CarbonylContact C-O 3.49Å; V90-K157 WeakPolarHBondContact CA-O 3.27Å; G91-K157 PolarHBondContact N-O 3.31Å; G91-K157 PolarHBondContact O-N 3.41Å; D147-K157 WeakPolarHBondContact OD1-CA 3.47Å; K157-L159 HydrophobicContact CG-CG 4.44Å
158V96.1Very high88.1Confident0 Ų080.5 Ų80.50%045%0.445CS..EExtended strand (participates in β ladder)trans-112118.3-172.9-168.90000110V88 Y89 F106 A143 D147 L156V88-V158 HydrophobicContact CG1-CG1 3.23Å; Y89-V158 WeakPolarHBondContact O-CA 3.48Å; F106-V158 HydrophobicContact CE1-CG1 4.33Å; F106-V158 HydrophobicContact CE1-CG2 4.2Å; F106-V158 HydrophobicContact CZ-CG2 3.94Å; A143-V158 VanDerWaalsContact O-CG1 3.32Å; A143-V158 WeakPolarHBondContact O-CG1 3.22Å; D147-V158 HydrophobicContact CB-CB 4.36Å; D147-V158 PolarHBondContact OD1-N 3.14Å; L156-V158 HydrophobicContact CB-CG2 4.25Å
159L95.2Very high86.8Confident71 Ų7179.6 Ų79.637%0.37245%0.446SS..EExtended strand (participates in β ladder)trans-134.8151.5-179.8-66.2176.5000110.5V88 Y89 K157 K161V88-L159 WeakPolarHBondContact CG1-O 3.47Å; Y89-L159 WeakPolarHBondContact CA-O 3.31Å; Y89-L159 WeakPolarHBondContact CB-O 3.26Å; Y89-L159 HydrophobicContact CD1-CB 4.21Å; Y89-L159 PolarHBondContact N-O 3Å; Y89-L159 PolarHBondContact O-N 3.01Å; K157-L159 HydrophobicContact CG-CG 4.44Å; L159-K161 PolarHBondContact O-N 3.25Å
160P94.4Very high85.5Confident72 Ų7285.7 Ų85.747%0.46847%0.474SS..EExtended strand (participates in β ladder)trans-59.9140.3171.225-32.8000110.8I144I144-P160 HydrophobicContact CD1-CB 4.22Å; I144-P160 HydrophobicContact CD1-CG 4.27Å
161K93.4Very high84.6Confident47 Ų4784.5 Ų84.520%0.20446%0.463CS..PPolyproline II helixtrans-67138.3177.7-173.7-176.1179.9-168.70109.7D84 S87 Y131 L159D84-K161 HydrophobicContact CB-CD 4.37Å; D84-K161 WeakPolarHBondContact OD1-CE 3.37Å; D84-K161 IonicContact OD1-NZ 3.14Å; D84-K161 PolarHBondContact OD1-NZ 3.4Å; S87-K161 WeakPolarHBondContact O-CB 3.41Å; S87-K161 PolarHBondContact O-N 2.93Å; Y131-K161 HydrophobicContact CD1-CD 4.01Å; Y131-K161 HydrophobicContact CD1-CG 4.03Å; Y131-K161 HydrophobicContact CE1-CD 4.4Å; Y131-K161 HydrophobicContact CE1-CG 4.07Å; L159-K161 PolarHBondContact O-N 3.25Å
162R87.5Confident83.3Confident171 Ų17191.9 Ų91.965%0.64550%0.503SS*.PPolyproline II helixtrans-85.8135.9175.2-63175.764-166.1-0.2109.9M168R162-M168 VanDerWaalsContact NH2-CE 3.25Å
163T85.3Confident82.2Confident49 Ų4995 Ų9530%0.30152%0.515SS..PPolyproline II helixtrans-68.3137.1168.353.70000109.8T81 D84 V165T81-T163 HydrophobicContact CG2-CG2 4.24Å; D84-T163 HydrophobicContact CB-CG2 3.78Å; T163-V165 PolarHBondContact O-N 2.98Å; T163-V165 VanDerWaalsContact O-N 3.17Å
164N78.9Confident81Confident141 Ų14193.5 Ų93.575%0.75450%0.502SS*.  trans-81.994177.1-176.57.7000109.8P166N164-P166 VanDerWaalsContact O-CD 3.3Å; N164-P166 WeakPolarHBondContact O-CD 3.26Å
165V77.2Confident79.6Confident76 Ų7696 Ų9646%0.46153%0.526SS..  trans-90.3107.5171.9-172.30000108.8T163 G167 M168T163-V165 PolarHBondContact O-N 2.98Å; T163-V165 VanDerWaalsContact O-N 3.17Å; V165-G167 PolarHBondContact O-N 2.79Å; V165-M168 HydrophobicContact CB-CB 4.37Å; V165-M168 HydrophobicContact CB-CG 4.26Å; V165-M168 HydrophobicContact CB-SD 3.78Å; V165-M168 HydrophobicContact CG2-SD 4.21Å; V165-M168 VanDerWaalsContact O-CG 3.25Å; V165-M168 WeakPolarHBondContact O-CG 3.41Å; V165-M168 PolarHBondContact O-N 3.2Å
166P75.6Confident77.9Confident117 Ų11799 Ų9976%0.7654%0.537SS*.THydrogen-bonded Turntrans-60.9133177.925.6-33000110.1N164N164-P166 VanDerWaalsContact O-CD 3.3Å; N164-P166 WeakPolarHBondContact O-CD 3.26Å
167G73.1Confident75.8Confident85 Ų85103.8 Ų103.888%0.87657%0.566SS**THydrogen-bonded Turntrans91.1-4.817900000115.7V165 S169V165-G167 PolarHBondContact O-N 2.79Å; G167-S169 PolarHBondContact O-N 3.04Å; G167-S169 VanDerWaalsContact O-N 3.12Å
168M65.9Low73.8Confident86 Ų86110.5 Ų110.542%0.42459%0.588SS.*  trans-71.5106.117075.3-176.3-73.700110.1R162 V165 M170R162-M168 VanDerWaalsContact NH2-CE 3.25Å; V165-M168 HydrophobicContact CB-CB 4.37Å; V165-M168 HydrophobicContact CB-CG 4.26Å; V165-M168 HydrophobicContact CB-SD 3.78Å; V165-M168 HydrophobicContact CG2-SD 4.21Å; V165-M168 VanDerWaalsContact O-CG 3.25Å; V165-M168 WeakPolarHBondContact O-CG 3.41Å; V165-M168 PolarHBondContact O-N 3.2Å; M168-M170 HydrophobicContact CE-CE 3.62Å
169S64.3Low71.6Confident78 Ų78113.8 Ų113.855%0.54562%0.623SS.*  trans-104121166.3-165.50000108.7G167 T171G167-S169 PolarHBondContact O-N 3.04Å; G167-S169 VanDerWaalsContact O-N 3.12Å; S169-T171 PolarHBondContact O-N 2.93Å; S169-T171 PolarHBondContact OG-N 3.01Å
170M66.3Low69.4Low151 Ų151121.5 Ų121.574%0.74465%0.647SS**SBendtrans-67.1-10169-68.2-80.9129.100112M168M168-M170 HydrophobicContact CE-CE 3.62Å
171T71.6Confident66.9Low76 Ų76122.4 Ų122.447%0.46666%0.66SS.*SBendtrans-84.9126.6173.5-460000107S169 R173S169-T171 PolarHBondContact O-N 2.93Å; S169-T171 PolarHBondContact OG-N 3.01Å; T171-R173 HydrophobicContact CG2-CB 3.86Å; T171-R173 HydrophobicContact CG2-CG 3.76Å; T171-R173 PolarHBondContact O-N 2.65Å
172N64.1Low64.5Low171 Ų171133.1 Ų133.191%0.91470%0.7SS**  trans-62.730.3165.7-66.9-49.5000112.7P174N172-P174 WeakPolarHBondContact O-CD 3.41Å
173R68.8Low62.5Low176 Ų176127.8 Ų127.866%0.66470%0.698SS**PPolyproline II helixtrans-76.9120171.9-100.4175.7177.4157.4-0.7106.2T171T171-R173 HydrophobicContact CG2-CB 3.86Å; T171-R173 HydrophobicContact CG2-CG 3.76Å; T171-R173 PolarHBondContact O-N 2.65Å
174P64.5Low60.4Low99 Ų99136.1 Ų136.164%0.64372%0.724SS**PPolyproline II helixtrans-53.1143.4169.123.7-31.8000107.9N172 F176N172-P174 WeakPolarHBondContact O-CD 3.41Å; P174-F176 PolarHBondContact O-N 3.15Å; P174-F176 VanDerWaalsContact O-N 3.13Å
175P62.9Low58.6Low111 Ų111133.1 Ų133.172%0.72173%0.726SS**PPolyproline II helixtrans-49.4129.8176.721.5-32.2000107.4V177P175-V177 PolarHBondContact O-N 3.17Å
176F58.8Low56.9Low189 Ų189136.4 Ų136.483%0.82974%0.738SS**  trans-6389173.8-103.1-94.3000106.8P174 R178P174-F176 PolarHBondContact O-N 3.15Å; P174-F176 VanDerWaalsContact O-N 3.13Å; F176-R178 PolarHBondContact O-N 3.05Å
177V53.2Low55.3Low100 Ų100136.7 Ų136.761%0.60674%0.743SS**  trans-67.987.6166.4-178.60000104.9P175 G179 R180P175-V177 PolarHBondContact O-N 3.17Å; V177-G179 PolarHBondContact O-N 3.4Å; V177-R180 HydrophobicContact CG1-CG 4.41Å
178R53.5Low53.7Low254 Ų254140.8 Ų140.896%0.95874%0.743SS**THydrogen-bonded Turntrans-63.982.5169.4-165.9-174.4-123.7170.4-0.1106.3F176F176-R178 PolarHBondContact O-N 3.05Å
179G50.2Low52.6Low70 Ų70139.5 Ų139.572%0.72275%0.752SS**THydrogen-bonded Turntrans159.7-5.2175.400000120.9V177V177-G179 PolarHBondContact O-N 3.4Å
180R47.4Very low51.7Low232 Ų232145.4 Ų145.488%0.87577%0.768SS**  trans-106100.4-179.3-79.6-156.2-177.7-151.14115V177V177-R180 HydrophobicContact CG1-CG 4.41Å
181A42.5Very low50.7Low91 Ų91149.7 Ų149.775%0.75278%0.776SS**  trans48.788.2134.300000118.1G183A181-G183 PolarHBondContact O-N 3.46Å; A181-G183 VanDerWaalsContact O-N 3.09Å
182R43.7Very low49.3Very low273 Ų273151.5 Ų151.5100%1.0379%0.789SS**  trans-76.476.9144.6-84.9-169.5168.396.6-0.1108.4
183G44.8Very low48.2Very low59 Ų59147 Ų14761%0.60878%0.776SS**  trans-116.2122.8169.600000109.7A181A181-G183 PolarHBondContact O-N 3.46Å; A181-G183 VanDerWaalsContact O-N 3.09Å
184R40.9Very low47.1Very low223 Ų223149 Ų14984%0.84279%0.785SS**  trans50.290.1154.9-82.6176.9161.3132.4-4.9117.7
185G42.5Very low46.3Very low78 Ų78149.1 Ų149.180%0.80479%0.794SS**  trans-94.792.4144.800000109.3S187G185-S187 PolarHBondContact O-N 3.23Å
186M40Very low45.3Very low145 Ų145147 Ų14771%0.71479%0.793SS**  trans-63.4118.7167.4-77.7-69.9-17100108.9
187S42.3Very low44.5Very low124 Ų124150 Ų15087%0.86780%0.799SS**  trans-95.194167.7-63.20000108.6G185G185-S187 PolarHBondContact O-N 3.23Å
188I39.5Very low44.1Very low170 Ų170152.8 Ų152.887%0.87281%0.807SS**  trans-77.3124.4156.7-73.5167.6000106.3
189G43.5Very low43.9Very low60 Ų60152.4 Ų152.462%0.61981%0.805SS**  trans143.493.3165.600000115.8
190F44.1Very low43.6Very low202 Ų202158.1 Ų158.189%0.88681%0.811SS**  trans37.8107.5132.8-79.2-95.4000118.8
191R45.2Very low43.8Very low241 Ų241152.8 Ų152.891%0.90981%0.806SS**  176141.4105-94.2173.3167.5-136.2-5.4111.8
192P42.5Very low44.1Very low114 Ų114158.6 Ų158.674%0.7481%0.809SS**  trans-99.6158.4-16838.6-30.5000113.7
193A42Very low44.2Very low76 Ų76155.9 Ų155.963%0.62880%0.8SS**  trans72.4133.7139.600000121.2
194Y45.1Very low44.4Very low218 Ų218163.9 Ų163.986%0.85581%0.812SS**  trans67.2142.8153.470.2-100.3000120
195A47.3Very low44.6Very low101 Ų101164.3 Ų164.384%0.83581%0.814SS**  trans81.4124.4171.400000117.4
196G41.9Very low44.8Very low68 Ų68172.5 Ų172.570%0.70182%0.82SS**  trans107.179.2155.400000115.3M198G196-M198 PolarHBondContact O-N 3.06Å
197R43.7Very low45.2Very low252 Ų252168.1 Ų168.195%0.95181%0.812SS**  trans-53.399.6153.7-75.9-100.5-156.8-89.60.1109.2
198M44.2Very low46Very low157 Ų157166.4 Ų166.477%0.77380%0.8SS**  trans-108.896.8162-74.6-89.8-171.700107.4G196 F200G196-M198 PolarHBondContact O-N 3.06Å; M198-F200 PolarHBondContact O-N 3.47Å; M198-F200 VanDerWaalsContact O-N 3.15Å
199R47.9Very low46.8Very low246 Ų246167.1 Ų167.193%0.92879%0.793SS**  trans-59.3110.9161.1-91.1-177.8168.5-175.7-2.5106.6P201R199-P201 VanDerWaalsContact O-CD 3.26Å; R199-P201 WeakPolarHBondContact O-CD 3.32Å
200F45.3Very low47.5Very low190 Ų190174.3 Ų174.383%0.83380%0.803SS**PPolyproline II helixtrans-71.8120.2165.7-71.8-81.3000108.9M198M198-F200 PolarHBondContact O-N 3.47Å; M198-F200 VanDerWaalsContact O-N 3.15Å
201P51.5Low48Very low121 Ų121173.2 Ų173.279%0.78680%0.798SS**PPolyproline II helixtrans-65.8137.8162-14.830.9000109.1R199R199-P201 VanDerWaalsContact O-CD 3.26Å; R199-P201 WeakPolarHBondContact O-CD 3.32Å
202R49Very low49.1Very low212 Ų212167.2 Ų167.280%0.879%0.793SS**SBendtrans-53.7152.4174.6-63.7173171.6167.1-4.2111.1
203Y45.3Very low50.3Low217 Ų217165.5 Ų165.585%0.85178%0.782SS**  trans75.779.1168.9-46.7-78.5000116.5
204R48.6Very low51.2Low227 Ų227176.7 Ų176.786%0.85781%0.81SS**  trans-114123.3150.1-90.4-170.1175.3-162.3-1.5108.7
205R45.3Very low51.5Low232 Ų232174.7 Ų174.788%0.87581%0.808SS**  160.890.8129.9-83.1-72.5-164.6-124.8-1109.7
206R47.4Very low51.8Low250 Ų250178.5 Ų178.594%0.94381%0.807SS**  trans-135.7101.2141.1-145.4-174.7-169.7-137.63.4105.5
207G47.5Very low52.3Low53 Ų53184.7 Ų184.755%0.54681%0.813SS.*  trans-59.3137.9167.100000107.7
208S58.5Low52.8Low87 Ų87180.7 Ų180.761%0.60880%0.804SS**  49.9114.866.6-152.70000107.7
209Y56.5Low53.3Low185 Ų185182.2 Ų182.273%0.72581%0.806SS**  -164.9132.682-63-58.2000112.2
210Y58Low53.7Low211 Ų211177.9 Ų177.983%0.82780%0.798SS**  trans73.399.1151.3-54.3-64.3000122.6
211F56.2Low54.3Low180 Ų180177.1 Ų177.179%0.78980%0.796SS**  trans-75.3140.3135.1167.4-94.1000109.6P213F211-P213 HydrophobicContact CE1-CB 4.17Å; F211-P213 HydrophobicContact CE1-CG 4.08Å; F211-P213 HydrophobicContact CE2-CB 4.4Å; F211-P213 HydrophobicContact CZ-CB 3.79Å; F211-P213 HydrophobicContact CZ-CG 4.18Å
212S67Low54.5Low115 Ų115181.4 Ų181.480%0.80480%0.796SS**  trans-152.5135.1153.2-156.90000109.5
213P69.2Low55Low78 Ų78178.8 Ų178.851%0.50680%0.796SS.*  trans-101.9160.1-15837.8-32000114.8F211F211-P213 HydrophobicContact CE1-CB 4.17Å; F211-P213 HydrophobicContact CE1-CG 4.08Å; F211-P213 HydrophobicContact CE2-CB 4.4Å; F211-P213 HydrophobicContact CZ-CB 3.79Å; F211-P213 HydrophobicContact CZ-CG 4.18Å
214Y60.4Low55.9Low311 Ų311175.4 Ų175.4100%1.2279%0.791SS**  -123.80128.9-84-81.9000107.7

Retrieved 214 of 214 residues in 56.8 ms (Link to these results)