A0A060X8Z0_ONCMY Loading...

H1.0 linker histone

AlphaFold DB , UniProt , Accession A0A060X8Z0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110498860, Length 198 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.7Very low52.4Low246 Ų246141.8 Ų141.8100%1.21286%0.863SS**  0140.50-58.9-46-176.300108.3
2A41.6Very low53.1Low97 Ų97138.1 Ų138.180%0.80286%0.858SS**  trans-128.6127.3-179.900000109.5
3E44.5Very low53.9Low201 Ų201143.5 Ų143.594%0.93986%0.861SS**PPolyproline II helixtrans-84.8134.7179.5-69.3-177.585.100111.5
4T43.6Very low54.4Low137 Ų137147.7 Ų147.784%0.8486%0.863SS**PPolyproline II helixtrans-89.2126.5-176.751.30000112A6T4-A6 PolarHBondContact O-N 3.22Å
5V49.7Very low55Low144 Ų144144.5 Ų144.587%0.87386%0.86SS**PPolyproline II helixtrans-64.2121.2178.3178.60000111.5A7V5-A7 PolarHBondContact O-N 3.37Å
6A53.2Low55.8Low96 Ų96148.1 Ų148.179%0.79386%0.861SS**  trans-76.5114.2175.500000111.9T4T4-A6 PolarHBondContact O-N 3.22Å
7A61.5Low56.4Low91 Ų91144.2 Ų144.275%0.75285%0.85SS**PPolyproline II helixtrans-83.4134.5178.500000112.4V5 A9V5-A7 PolarHBondContact O-N 3.37Å; A7-A9 PolarHBondContact O-N 3.4Å
8P55.5Low56.7Low129 Ų129143.3 Ų143.384%0.83885%0.849SS**PPolyproline II helixtrans-75.9124.8-179.729.3-34000112.4
9A65.2Low57.3Low87 Ų87146.2 Ų146.272%0.71985%0.85SS**PPolyproline II helixtrans-63.6145.1-176.100000114.2A7 K11A7-A9 PolarHBondContact O-N 3.4Å; A9-K11 PolarHBondContact O-N 3.39Å
10P59.1Low57.6Low129 Ų129149.3 Ų149.384%0.83885%0.852SS**PPolyproline II helixtrans-70.9119.8-17628-34.7000112.5A12P10-A12 PolarHBondContact O-N 3.18Å
11K61.6Low58Low203 Ų203146.9 Ų146.988%0.88385%0.851SS**PPolyproline II helixtrans-65.5116.9178-71.6178.2-179.1175.40111.4A9 K13A9-K11 PolarHBondContact O-N 3.39Å; K11-K13 PolarHBondContact O-N 3.31Å
12A60.8Low59.6Low97 Ų97138.7 Ų138.780%0.80282%0.822SS**PPolyproline II helixtrans-57.2131.8-178.400000112.8P10 K14P10-A12 PolarHBondContact O-N 3.18Å; A12-K14 PolarHBondContact O-N 3.11Å; A12-K14 VanDerWaalsContact O-N 3.1Å
13K63.3Low61.6Low208 Ų208138.2 Ų138.290%0.90481%0.813SS**  trans-72.8100.7178.6-66.6172.8-177.9168.20109.6K11 A15K11-K13 PolarHBondContact O-N 3.31Å; K13-A15 PolarHBondContact O-N 3.47Å; K13-A15 VanDerWaalsContact O-N 3.1Å
14K61.2Low63.8Low203 Ų203130.8 Ų130.888%0.88378%0.778SS**  trans-51.5118.9173.8-87.2-169.9173.9-177.50110.7A12A12-K14 PolarHBondContact O-N 3.11Å; A12-K14 VanDerWaalsContact O-N 3.1Å
15A64.1Low66.2Low99 Ų99127.1 Ų127.182%0.81876%0.757SS**  trans-59139.4174.600000110.4K13 A17K13-A15 PolarHBondContact O-N 3.47Å; K13-A15 VanDerWaalsContact O-N 3.1Å; A15-A17 PolarHBondContact O-N 3.18Å
16K67.1Low68.3Low202 Ų202126.5 Ų126.588%0.87874%0.743SS**  trans-82.4116178.9-73.2174-179.9166.60109
17A66.7Low70.4Confident82 Ų82123.2 Ų123.268%0.67871%0.71SS**PPolyproline II helixtrans-52.8144.7175.400000111.7A15 K19A15-A17 PolarHBondContact O-N 3.18Å; A17-K19 PolarHBondContact O-N 3.48Å
18P61.3Low72Confident128 Ų128120.6 Ų120.683%0.83169%0.686SS**PPolyproline II helixtrans-61.8125.6-178.525.2-33.9000110.4K20P18-K20 PolarHBondContact O-N 3.4Å
19K68.6Low74Confident198 Ų198118.2 Ų118.286%0.86167%0.666SS**PPolyproline II helixtrans-74126.7175.6-66.9175.2-178.4173.70108.5A17 A21A17-K19 PolarHBondContact O-N 3.48Å; K19-A21 PolarHBondContact O-N 3.16Å
20K63.6Low75.5Confident208 Ų208114.1 Ų114.190%0.90463%0.632SS**PPolyproline II helixtrans-50.3135.7169.9-69.3-174.2176-176.50109.6P18P18-K20 PolarHBondContact O-N 3.4Å
21A65.9Low77.3Confident100 Ų100108 Ų10883%0.82659%0.592SS**PPolyproline II helixtrans-56.6140.8177.800000110.6K19K19-A21 PolarHBondContact O-N 3.16Å
22A73.3Confident78.9Confident73 Ų73101.4 Ų101.460%0.60357%0.566SS**PPolyproline II helixtrans-72.2130.6178.600000110H24A22-H24 PolarHBondContact O-N 3.48Å
23S84.2Confident80.6Confident87 Ų8797.8 Ų97.861%0.60854%0.535SS*.SBendtrans-73.319.7179.251.40000114.5K58S23-K58 PolarHBondContact OG-O 3.33Å
24H90Very high82.2Confident45 Ų4588 Ų8821%0.20849%0.493CS..SBendtrans-156.4152-175.765.366.7000110.6A22 Y27 M30 V59A22-H24 PolarHBondContact O-N 3.48Å; H24-Y27 AromaticContact CE1-CE2 3.39Å; H24-Y27 WeakPolarHBondContact CE1-CE2 3.47Å; H24-Y27 AromaticContact CE1-CZ 3.93Å; H24-Y27 AromaticContact NE2-CE2 3.84Å; H24-M30 HydrophobicContact CB-CE 4.41Å; H24-M30 HydrophobicContact CB-SD 3.9Å; H24-M30 WeakPolarHBondContact ND1-CE 3.47Å; H24-V59 HydrophobicContact CB-CG1 4.4Å
25P93.7Very high83.8Confident61 Ų6179 Ų7940%0.39646%0.455SS..  trans-69-174.1175.628.2-32.6000112M30 Y57P25-M30 HydrophobicContact CG-CG 3.74Å; P25-M30 HydrophobicContact CG-SD 4.42Å; P25-Y57 HydrophobicContact CG-CD1 4.33Å; P25-Y57 HydrophobicContact CG-CE1 3.95Å
26K95.6Very high85.2Confident131 Ų13180 Ų8057%0.5744%0.443SS*.  trans-63.8146.1-177.6-155.169.416154.30109.6S28 D29 M30K26-S28 PolarHBondContact O-N 3.07Å; K26-S28 VanDerWaalsContact O-N 3.12Å; K26-D29 WeakPolarHBondContact CA-OD2 3.47Å; K26-D29 VanDerWaalsContact CB-CG 3.46Å; K26-D29 WeakPolarHBondContact CB-OD1 3.32Å; K26-D29 WeakPolarHBondContact CB-OD2 3.43Å; K26-D29 PolarHBondContact N-OD2 3.33Å; K26-D29 PolarHBondContact O-N 3.05Å; K26-M30 WeakPolarHBondContact O-CG 3.27Å; K26-M30 PolarHBondContact O-N 3.14Å
27Y96.6Very high86.6Confident26 Ų2672.6 Ų72.610%0.10242%0.42CS..Hα-helixtrans-56.3-28171-79.9-86.6000112.6H24 M30 I31 A63 Q66 I67 S70H24-Y27 AromaticContact CE1-CE2 3.39Å; H24-Y27 WeakPolarHBondContact CE1-CE2 3.47Å; H24-Y27 AromaticContact CE1-CZ 3.93Å; H24-Y27 AromaticContact NE2-CE2 3.84Å; Y27-M30 HydrophobicContact CD1-CE 3.5Å; Y27-M30 VanDerWaalsContact CD1-CE 3.5Å; Y27-M30 HydrophobicContact CD2-CE 3.97Å; Y27-M30 HydrophobicContact CE1-CE 3.62Å; Y27-M30 HydrophobicContact CE2-CE 4.07Å; Y27-M30 HydrophobicContact CG-CE 3.67Å; Y27-I31 WeakPolarHBondContact O-CB 3.35Å; Y27-I31 WeakPolarHBondContact O-CD1 3.5Å; Y27-I31 WeakPolarHBondContact O-CG1 3.42Å; Y27-I31 PolarHBondContact O-N 2.87Å; Y27-A63 HydrophobicContact CE1-CB 4.22Å; Y27-Q66 HydrophobicContact CD1-CB 3.92Å; Y27-Q66 HydrophobicContact CD2-CB 3.87Å; Y27-Q66 HydrophobicContact CD2-CG 4.42Å; Y27-Q66 HydrophobicContact CE1-CB 3.76Å; Y27-Q66 HydrophobicContact CE2-CB 3.72Å; Y27-Q66 HydrophobicContact CE2-CG 3.99Å; Y27-Q66 HydrophobicContact CG-CB 3.99Å; Y27-I67 HydrophobicContact CD1-CG1 3.71Å; Y27-I67 HydrophobicContact CE1-CD1 4.45Å; Y27-I67 HydrophobicContact CE1-CG1 3.9Å; Y27-S70 WeakPolarHBondContact CB-OG 2.99Å
28S95.8Very high87.8Confident37 Ų3770.8 Ų70.826%0.25940%0.399SS..Hα-helixtrans-58.6-53.7171.4-50.90000111.7K26 I31 M32 M74K26-S28 PolarHBondContact O-N 3.07Å; K26-S28 VanDerWaalsContact O-N 3.12Å; S28-I31 WeakPolarHBondContact O-CB 3.48Å; S28-I31 PolarHBondContact O-N 2.92Å; S28-I31 VanDerWaalsContact O-N 3.17Å; S28-M32 WeakPolarHBondContact O-CG 3.31Å; S28-M32 PolarHBondContact O-N 3.5Å; S28-M74 WeakPolarHBondContact O-CE 3.47Å
29D96.1Very high89.1Confident79 Ų7973.9 Ų73.942%0.42240%0.399SS..Hα-helixtrans-68.4-43-174.6-26.2-32.3000110.4K26 I31 M32 A33K26-D29 WeakPolarHBondContact CA-OD2 3.47Å; K26-D29 VanDerWaalsContact CB-CG 3.46Å; K26-D29 WeakPolarHBondContact CB-OD1 3.32Å; K26-D29 WeakPolarHBondContact CB-OD2 3.43Å; K26-D29 PolarHBondContact N-OD2 3.33Å; K26-D29 PolarHBondContact O-N 3.05Å; D29-I31 PolarHBondContact O-N 2.95Å; D29-M32 PolarHBondContact O-N 3.48Å; D29-M32 VanDerWaalsContact O-N 3.1Å; D29-A33 PolarHBondContact O-N 2.7Å
30M96.9Very high90.1Very high0 Ų067.4 Ų67.40%038%0.379CS..Hα-helixtrans-59.6-34.5173.2-65.2-166.5-68.100112.4H24 P25 K26 Y27 A34 I53 Y57 V59H24-M30 HydrophobicContact CB-CE 4.41Å; H24-M30 HydrophobicContact CB-SD 3.9Å; H24-M30 WeakPolarHBondContact ND1-CE 3.47Å; P25-M30 HydrophobicContact CG-CG 3.74Å; P25-M30 HydrophobicContact CG-SD 4.42Å; K26-M30 WeakPolarHBondContact O-CG 3.27Å; K26-M30 PolarHBondContact O-N 3.14Å; Y27-M30 HydrophobicContact CD1-CE 3.5Å; Y27-M30 VanDerWaalsContact CD1-CE 3.5Å; Y27-M30 HydrophobicContact CD2-CE 3.97Å; Y27-M30 HydrophobicContact CE1-CE 3.62Å; Y27-M30 HydrophobicContact CE2-CE 4.07Å; Y27-M30 HydrophobicContact CG-CE 3.67Å; M30-A34 WeakPolarHBondContact O-CB 3.42Å; M30-A34 PolarHBondContact O-N 3.16Å; M30-A34 VanDerWaalsContact O-N 3.14Å; M30-I53 HydrophobicContact CB-CD1 3.77Å; M30-I53 HydrophobicContact CB-CG1 3.98Å; M30-I53 HydrophobicContact CE-CG2 4.19Å; M30-I53 HydrophobicContact SD-CG2 3.98Å; M30-Y57 HydrophobicContact CB-CD2 4.16Å; M30-Y57 HydrophobicContact CB-CE2 3.86Å; M30-Y57 HydrophobicContact CG-CD1 4.45Å; M30-Y57 HydrophobicContact CG-CD2 3.72Å; M30-Y57 HydrophobicContact CG-CE1 4.36Å; M30-Y57 HydrophobicContact CG-CE2 3.61Å; M30-Y57 HydrophobicContact CG-CG 4.14Å; M30-Y57 HydrophobicContact SD-CD1 4.16Å; M30-Y57 HydrophobicContact SD-CD2 3.46Å; M30-Y57 WeakPolarHBondContact SD-CD2 2.99Å; M30-Y57 HydrophobicContact SD-CE2 4.03Å; M30-Y57 HydrophobicContact SD-CG 3.53Å; M30-Y57 VanDerWaalsContact SD-CG 3.53Å; M30-V59 HydrophobicContact CE-CG1 4.24Å; M30-V59 HydrophobicContact SD-CG1 4.25Å
31I96.8Very high91.4Very high0 Ų069 Ų690%038%0.379CS..Hα-helixtrans-73.3-40.1174-70.3165.5000110.9Y27 S28 D29 A34 V35 V49 I53 I67 L71 M74 L80Y27-I31 WeakPolarHBondContact O-CB 3.35Å; Y27-I31 WeakPolarHBondContact O-CD1 3.5Å; Y27-I31 WeakPolarHBondContact O-CG1 3.42Å; Y27-I31 PolarHBondContact O-N 2.87Å; S28-I31 WeakPolarHBondContact O-CB 3.48Å; S28-I31 PolarHBondContact O-N 2.92Å; S28-I31 VanDerWaalsContact O-N 3.17Å; D29-I31 PolarHBondContact O-N 2.95Å; I31-A34 PolarHBondContact O-N 3.32Å; I31-V35 HydrophobicContact CG2-CG2 4.3Å; I31-V35 WeakPolarHBondContact O-CB 3.46Å; I31-V35 VanDerWaalsContact O-CG2 3.24Å; I31-V35 WeakPolarHBondContact O-CG2 3.43Å; I31-V35 PolarHBondContact O-N 3.39Å; I31-V49 HydrophobicContact CB-CG1 4.46Å; I31-V49 HydrophobicContact CG1-CG1 3.78Å; I31-V49 HydrophobicContact CG2-CG1 4.48Å; I31-I53 HydrophobicContact CG1-CD1 3.9Å; I31-I67 HydrophobicContact CD1-CG2 4.43Å; I31-L71 HydrophobicContact CD1-CD2 4.24Å; I31-L71 HydrophobicContact CD1-CG 4.07Å; I31-L71 HydrophobicContact CG2-CD2 3.8Å; I31-M74 HydrophobicContact CB-CE 4.28Å; I31-M74 HydrophobicContact CB-SD 4.07Å; I31-M74 HydrophobicContact CD1-SD 4Å; I31-M74 HydrophobicContact CG2-CE 4.04Å; I31-M74 HydrophobicContact CG2-SD 3.94Å; I31-L80 HydrophobicContact CG2-CD1 3.81Å
32M95.7Very high92.6Very high66 Ų6665.1 Ų65.133%0.32535%0.349SS..Hα-helixtrans-63.4-45.7177.2-70.81746300111.4S28 D29 A34 V35 Q36 M74 V79 L94S28-M32 WeakPolarHBondContact O-CG 3.31Å; S28-M32 PolarHBondContact O-N 3.5Å; D29-M32 PolarHBondContact O-N 3.48Å; D29-M32 VanDerWaalsContact O-N 3.1Å; M32-A34 PolarHBondContact O-N 3.21Å; M32-V35 PolarHBondContact O-N 3.47Å; M32-Q36 WeakPolarHBondContact O-CG 3.34Å; M32-Q36 PolarHBondContact O-N 2.98Å; M32-M74 HydrophobicContact CG-CE 3.67Å; M32-M74 HydrophobicContact SD-CE 4.24Å; M32-V79 HydrophobicContact SD-CG1 4.39Å; M32-L94 HydrophobicContact CB-CD2 4.49Å; M32-L94 HydrophobicContact CE-CD2 4.4Å; M32-L94 HydrophobicContact CG-CD2 4.07Å
33A96.1Very high93.6Very high20 Ų2061.9 Ų61.917%0.16532%0.323CS..Hα-helixtrans-58.4-45.2173.100000111.8D29 V35 Q36 A37 Y52D29-A33 PolarHBondContact O-N 2.7Å; A33-V35 VanDerWaalsContact C-N 3.33Å; A33-V35 PolarHBondContact O-N 2.98Å; A33-Q36 PolarHBondContact O-N 3.37Å; A33-A37 WeakPolarHBondContact O-CB 3.4Å; A33-A37 PolarHBondContact O-N 2.89Å; A33-Y52 HydrophobicContact CB-CE1 4.34Å
34A96.9Very high94.2Very high2 Ų257.8 Ų57.82%0.01729%0.294CS..Hα-helixtrans-61.2-38.3175.800000113.2M30 I31 M32 D38 V49 Y52M30-A34 WeakPolarHBondContact O-CB 3.42Å; M30-A34 PolarHBondContact O-N 3.16Å; M30-A34 VanDerWaalsContact O-N 3.14Å; I31-A34 PolarHBondContact O-N 3.32Å; M32-A34 PolarHBondContact O-N 3.21Å; A34-D38 WeakPolarHBondContact O-CB 3.24Å; A34-D38 PolarHBondContact O-N 3.48Å; A34-V49 HydrophobicContact CB-CB 4.41Å; A34-V49 HydrophobicContact CB-CG1 4.31Å; A34-V49 HydrophobicContact CB-CG2 4.11Å; A34-Y52 HydrophobicContact CB-CD1 3.45Å; A34-Y52 VanDerWaalsContact CB-CD1 3.45Å; A34-Y52 HydrophobicContact CB-CE1 4.05Å; A34-Y52 HydrophobicContact CB-CG 3.78Å
35V95.5Very high94.5Very high15 Ų1557.2 Ų57.29%0.09130%0.295CS..Hα-helixtrans-73.7-28177.9172.50000112.2I31 M32 A33 A44 V49 L80 L94I31-V35 HydrophobicContact CG2-CG2 4.3Å; I31-V35 WeakPolarHBondContact O-CB 3.46Å; I31-V35 VanDerWaalsContact O-CG2 3.24Å; I31-V35 WeakPolarHBondContact O-CG2 3.43Å; I31-V35 PolarHBondContact O-N 3.39Å; M32-V35 PolarHBondContact O-N 3.47Å; A33-V35 VanDerWaalsContact C-N 3.33Å; A33-V35 PolarHBondContact O-N 2.98Å; V35-A44 HydrophobicContact CG2-CB 3.91Å; V35-V49 HydrophobicContact CG2-CG2 4.49Å; V35-L80 HydrophobicContact CG2-CD2 4.33Å; V35-L94 HydrophobicContact CG1-CD2 4.46Å; V35-L94 HydrophobicContact CG1-CG 4.01Å
36Q93.9Very high94.6Very high119 Ų11957 Ų5756%0.55629%0.286SS*.Hα-helixtrans-78.2-33.6172.8-71.2168.6-19.100112.3M32 A33 L94M32-Q36 WeakPolarHBondContact O-CG 3.34Å; M32-Q36 PolarHBondContact O-N 2.98Å; A33-Q36 PolarHBondContact O-N 3.37Å; Q36-L94 HydrophobicContact CG-CD1 3.9Å
37A95.3Very high94.6Very high47 Ų4756.8 Ų56.839%0.38829%0.287SS..Hα-helixtrans-74.3-42.3176.700000112.9A33 K39 Y52A33-A37 WeakPolarHBondContact O-CB 3.4Å; A33-A37 PolarHBondContact O-N 2.89Å; A37-K39 PolarHBondContact O-N 3.09Å; A37-Y52 HydrophobicContact CB-CD2 4.09Å; A37-Y52 HydrophobicContact CB-CE2 3.47Å; A37-Y52 VanDerWaalsContact CB-CE2 3.47Å
38D92.1Very high94.7Very high45 Ų4557.4 Ų57.424%0.24130%0.296CS..  trans-7784.6177.2-169.3-17.6000111.2A34 S40 A44 S48A34-D38 WeakPolarHBondContact O-CB 3.24Å; A34-D38 PolarHBondContact O-N 3.48Å; D38-S40 PolarHBondContact O-N 3.41Å; D38-S40 WeakPolarHBondContact OD1-CB 3.43Å; D38-S40 PolarHBondContact OD1-N 3.47Å; D38-S40 VanDerWaalsContact OD1-N 3.14Å; D38-A44 HydrophobicContact CB-CB 3.8Å; D38-A44 WeakPolarHBondContact OD2-CA 3.2Å; D38-S48 WeakPolarHBondContact OD2-CB 3.46Å; D38-S48 PolarHBondContact OD2-OG 3.1Å
39K88.2Confident94.7Very high192 Ų19255.7 Ų55.784%0.83528%0.283SS*.  trans-72.615.4179.2-65.7166-174.6174.30113.7A37A37-K39 PolarHBondContact O-N 3.09Å
40S91.1Very high94.8Very high62 Ų6252.2 Ų52.243%0.43427%0.265SS..  trans-55.2144173.4175.90000112.3D38 G42 G43D38-S40 PolarHBondContact O-N 3.41Å; D38-S40 WeakPolarHBondContact OD1-CB 3.43Å; D38-S40 PolarHBondContact OD1-N 3.47Å; D38-S40 VanDerWaalsContact OD1-N 3.14Å; S40-G42 PolarHBondContact O-N 3Å; S40-G42 VanDerWaalsContact O-N 3.08Å; S40-G43 PolarHBondContact O-N 3.4Å
41R90.7Very high94.8Very high242 Ų24260.2 Ų60.291%0.91330%0.299SS*.THydrogen-bonded Turntrans-50.6-38.9177-170.2178.5-177.5-160.81.6111.9K93R41-K93 PolarHBondContact O-NZ 2.95Å; R41-K93 VanDerWaalsContact O-NZ 3.14Å
42G90.2Very high94.8Very high19 Ų1962.7 Ų62.720%0.19631%0.309CS..THydrogen-bonded Turntrans-81.6-8.7178.200000115.8S40 T83S40-G42 PolarHBondContact O-N 3Å; S40-G42 VanDerWaalsContact O-N 3.08Å; G42-T83 WeakPolarHBondContact O-CB 3.22Å; G42-T83 WeakPolarHBondContact O-CG2 3.25Å; G42-T83 PolarHBondContact O-OG1 2.87Å
43G93.8Very high94.8Very high5 Ų559.6 Ų59.65%0.05229%0.294CS..  trans71.1175.3-165.600000113.2S40 S45 F92S40-G43 PolarHBondContact O-N 3.4Å; G43-S45 PolarHBondContact O-N 3.01Å; G43-F92 CarbonylContact C-O 3.4Å; G43-F92 WeakPolarHBondContact CA-O 3.4Å
44A96.5Very high94.8Very high0 Ų063.8 Ų63.80%031%0.308CS..EExtended strand (participates in β ladder)trans-62.7132.7-174.200000112.4V35 D38 V49 S91 F92V35-A44 HydrophobicContact CG2-CB 3.91Å; D38-A44 HydrophobicContact CB-CB 3.8Å; D38-A44 WeakPolarHBondContact OD2-CA 3.2Å; A44-V49 HydrophobicContact CB-CG2 3.65Å; A44-S91 VanDerWaalsContact O-CA 3.32Å; A44-S91 WeakPolarHBondContact O-CA 3.28Å; A44-F92 PolarHBondContact N-O 3.3Å; A44-F92 PolarHBondContact O-N 3.45Å
45S96.4Very high94.8Very high33 Ų3367.6 Ų67.623%0.23134%0.335CS..EExtended strand (participates in β ladder)trans-78.9159.6166.474.20000110.5G43 Q47 S48 V49 G90G43-S45 PolarHBondContact O-N 3.01Å; S45-Q47 PolarHBondContact O-N 3.4Å; S45-Q47 VanDerWaalsContact O-N 3.15Å; S45-Q47 PolarHBondContact OG-N 3.14Å; S45-S48 PolarHBondContact N-OG 3.13Å; S45-S48 WeakPolarHBondContact O-CB 3.23Å; S45-S48 PolarHBondContact O-N 2.94Å; S45-S48 PolarHBondContact OG-N 3.37Å; S45-S48 PolarHBondContact OG-OG 3.48Å; S45-V49 WeakPolarHBondContact O-CG2 3.43Å; S45-V49 PolarHBondContact O-N 3.4Å; S45-G90 WeakPolarHBondContact CA-O 3.32Å
46R96.4Very high94.8Very high56 Ų5672 Ų7221%0.21135%0.354CS..Hα-helixtrans-50-40.1169.8169.7179.2161-81.4-2.9111.8V49 Q50 L71 A88 G90 F92R46-V49 PolarHBondContact O-N 3.02Å; R46-Q50 HydrophobicContact CG-CG 4.44Å; R46-Q50 VanDerWaalsContact NH1-OE1 3.12Å; R46-Q50 VanDerWaalsContact NH2-OE1 3.13Å; R46-Q50 VanDerWaalsContact O-CG 3.29Å; R46-Q50 WeakPolarHBondContact O-CG 3.31Å; R46-Q50 PolarHBondContact O-N 3.41Å; R46-Q50 PolarHBondContact O-OE1 3.16Å; R46-L71 HydrophobicContact CB-CD1 4.11Å; R46-L71 HydrophobicContact CG-CD1 4.08Å; R46-A88 WeakPolarHBondContact CD-O 3.07Å; R46-G90 PolarHBondContact N-O 3.43Å; R46-G90 VanDerWaalsContact N-O 3.15Å; R46-F92 HydrophobicContact CB-CE2 4.41Å
47Q96.7Very high94.9Very high128 Ų12869.5 Ų69.560%0.59834%0.34SS*.Hα-helixtrans-70.6-38.1180-56.2-69.816.700111.9S45 Q50 K51S45-Q47 PolarHBondContact O-N 3.4Å; S45-Q47 VanDerWaalsContact O-N 3.15Å; S45-Q47 PolarHBondContact OG-N 3.14Å; Q47-Q50 PolarHBondContact O-N 2.88Å; Q47-K51 PolarHBondContact O-N 3.39Å
48S96.9Very high94.9Very high39 Ų3975.4 Ų75.427%0.27336%0.357SS..Hα-helixtrans-56.5-50.9171.6-53.10000110.5D38 S45 Q50 K51 Y52D38-S48 WeakPolarHBondContact OD2-CB 3.46Å; D38-S48 PolarHBondContact OD2-OG 3.1Å; S45-S48 PolarHBondContact N-OG 3.13Å; S45-S48 WeakPolarHBondContact O-CB 3.23Å; S45-S48 PolarHBondContact O-N 2.94Å; S45-S48 PolarHBondContact OG-N 3.37Å; S45-S48 PolarHBondContact OG-OG 3.48Å; S48-Q50 PolarHBondContact O-N 3.16Å; S48-K51 PolarHBondContact O-N 3.04Å; S48-Y52 WeakPolarHBondContact O-CB 3.46Å; S48-Y52 PolarHBondContact O-N 3.44Å
49V97.1Very high95Very high0 Ų074.9 Ų74.90%036%0.355CS..Hα-helixtrans-61-43.7-179.9171.50000111.1I31 A34 V35 A44 S45 R46 Y52 I53 I67I31-V49 HydrophobicContact CB-CG1 4.46Å; I31-V49 HydrophobicContact CG1-CG1 3.78Å; I31-V49 HydrophobicContact CG2-CG1 4.48Å; A34-V49 HydrophobicContact CB-CB 4.41Å; A34-V49 HydrophobicContact CB-CG1 4.31Å; A34-V49 HydrophobicContact CB-CG2 4.11Å; V35-V49 HydrophobicContact CG2-CG2 4.49Å; A44-V49 HydrophobicContact CB-CG2 3.65Å; S45-V49 WeakPolarHBondContact O-CG2 3.43Å; S45-V49 PolarHBondContact O-N 3.4Å; R46-V49 PolarHBondContact O-N 3.02Å; V49-Y52 PolarHBondContact O-N 3.26Å; V49-I53 HydrophobicContact CG1-CD1 3.69Å; V49-I53 HydrophobicContact CG1-CG1 4.39Å; V49-I53 WeakPolarHBondContact O-CB 2.98Å; V49-I53 VanDerWaalsContact O-CG1 3.28Å; V49-I53 WeakPolarHBondContact O-CG1 3.36Å; V49-I53 PolarHBondContact O-N 3.1Å; V49-I67 HydrophobicContact CG1-CG2 3.86Å
50Q96.9Very high95.1Very high7 Ų767.9 Ų67.93%0.03334%0.338CS..Hα-helixtrans-66-40.7177.6-72.8174.3-6900112.7R46 Q47 S48 K54 D64 I67R46-Q50 HydrophobicContact CG-CG 4.44Å; R46-Q50 VanDerWaalsContact NH1-OE1 3.12Å; R46-Q50 VanDerWaalsContact NH2-OE1 3.13Å; R46-Q50 VanDerWaalsContact O-CG 3.29Å; R46-Q50 WeakPolarHBondContact O-CG 3.31Å; R46-Q50 PolarHBondContact O-N 3.41Å; R46-Q50 PolarHBondContact O-OE1 3.16Å; Q47-Q50 PolarHBondContact O-N 2.88Å; S48-Q50 PolarHBondContact O-N 3.16Å; Q50-K54 WeakPolarHBondContact O-CB 3.21Å; Q50-K54 VanDerWaalsContact O-CG 3.31Å; Q50-K54 WeakPolarHBondContact O-CG 3.17Å; Q50-K54 PolarHBondContact O-N 2.91Å; Q50-D64 PolarHBondContact NE2-OD1 3.37Å; Q50-I67 HydrophobicContact CB-CD1 4.49Å; Q50-I67 HydrophobicContact CG-CB 4.4Å; Q50-I67 HydrophobicContact CG-CD1 3.85Å; Q50-I67 HydrophobicContact CG-CG2 3.97Å
51K97.1Very high95.2Very high167 Ų16772.2 Ų72.273%0.72636%0.356SS*.Hα-helixtrans-62.2-49173.8-173.8-175.4177.4-173.40110.9Q47 S48 K54 S55Q47-K51 PolarHBondContact O-N 3.39Å; S48-K51 PolarHBondContact O-N 3.04Å; K51-K54 PolarHBondContact O-N 3.17Å; K51-S55 PolarHBondContact O-N 2.65Å; K51-S55 VanDerWaalsContact O-N 3.13Å; K51-S55 PolarHBondContact O-OG 2.91Å
52Y97.3Very high95.4Very high53 Ų5366.4 Ų66.421%0.20834%0.343CS..Hα-helixtrans-58.4-52-179.9-177.5-85.7000111.5A33 A34 A37 S48 V49 K54 S55 H56 Y57A33-Y52 HydrophobicContact CB-CE1 4.34Å; A34-Y52 HydrophobicContact CB-CD1 3.45Å; A34-Y52 VanDerWaalsContact CB-CD1 3.45Å; A34-Y52 HydrophobicContact CB-CE1 4.05Å; A34-Y52 HydrophobicContact CB-CG 3.78Å; A37-Y52 HydrophobicContact CB-CD2 4.09Å; A37-Y52 HydrophobicContact CB-CE2 3.47Å; A37-Y52 VanDerWaalsContact CB-CE2 3.47Å; S48-Y52 WeakPolarHBondContact O-CB 3.46Å; S48-Y52 PolarHBondContact O-N 3.44Å; V49-Y52 PolarHBondContact O-N 3.26Å; Y52-K54 VanDerWaalsContact C-N 3.32Å; Y52-K54 PolarHBondContact O-N 3.21Å; Y52-S55 PolarHBondContact O-N 3.12Å; Y52-S55 VanDerWaalsContact O-N 3.13Å; Y52-S55 PolarHBondContact O-OG 3.48Å; Y52-H56 AromaticContact CD1-ND1 3.87Å; Y52-H56 AromaticContact CD2-CE1 3.27Å; Y52-H56 WeakPolarHBondContact CD2-CE1 3.33Å; Y52-H56 AromaticContact CD2-ND1 3.47Å; Y52-H56 WeakPolarHBondContact CD2-ND1 3.33Å; Y52-H56 HydrophobicContact CE1-CB 4.26Å; Y52-H56 AromaticContact CE1-ND1 3.96Å; Y52-H56 AromaticContact CE2-CD2 3.99Å; Y52-H56 AromaticContact CE2-CE1 3.25Å; Y52-H56 WeakPolarHBondContact CE2-CE1 3.44Å; Y52-H56 AromaticContact CE2-CG 4Å; Y52-H56 AromaticContact CE2-ND1 3.55Å; Y52-H56 AromaticContact CE2-NE2 3.53Å; Y52-H56 AromaticContact CG-CE1 3.91Å; Y52-H56 AromaticContact CG-ND1 3.62Å; Y52-H56 AromaticContact CZ-CD2 3.96Å; Y52-H56 AromaticContact CZ-CE1 3.9Å; Y52-H56 AromaticContact CZ-CG 3.84Å; Y52-H56 AromaticContact CZ-ND1 3.8Å; Y52-H56 AromaticContact CZ-NE2 4Å; Y52-H56 PolarHBondContact O-N 3.11Å; Y52-H56 PolarHBondContact O-ND1 3.1Å; Y52-Y57 HydrophobicContact CE1-CE2 4.08Å
53I96.6Very high95.6Very high0 Ų065.5 Ų65.50%033%0.334CS..Hα-helixtrans-64-39.2-175.6-67.5176.8000111.3M30 I31 V49 S55 Y57 V59 I67M30-I53 HydrophobicContact CB-CD1 3.77Å; M30-I53 HydrophobicContact CB-CG1 3.98Å; M30-I53 HydrophobicContact CE-CG2 4.19Å; M30-I53 HydrophobicContact SD-CG2 3.98Å; I31-I53 HydrophobicContact CG1-CD1 3.9Å; V49-I53 HydrophobicContact CG1-CD1 3.69Å; V49-I53 HydrophobicContact CG1-CG1 4.39Å; V49-I53 WeakPolarHBondContact O-CB 2.98Å; V49-I53 VanDerWaalsContact O-CG1 3.28Å; V49-I53 WeakPolarHBondContact O-CG1 3.36Å; V49-I53 PolarHBondContact O-N 3.1Å; I53-S55 VanDerWaalsContact C-N 3.32Å; I53-S55 PolarHBondContact O-N 3.14Å; I53-Y57 HydrophobicContact CG2-CD2 4.26Å; I53-Y57 PolarHBondContact O-N 3.03Å; I53-Y57 VanDerWaalsContact O-N 3.08Å; I53-V59 HydrophobicContact CG2-CG1 3.88Å; I53-V59 HydrophobicContact CG2-CG2 4.41Å; I53-I67 HydrophobicContact CB-CD1 4.12Å; I53-I67 HydrophobicContact CD1-CD1 3.83Å; I53-I67 HydrophobicContact CD1-CG1 3.95Å; I53-I67 HydrophobicContact CG2-CD1 4.14Å
54K96Very high95.8Very high109 Ų10967.5 Ų67.547%0.47434%0.343SS..Hα-helixtrans-69.5-22.6176.7-72.2-178.9175.6-173.90114.4Q50 K51 Y52 V59 D64Q50-K54 WeakPolarHBondContact O-CB 3.21Å; Q50-K54 VanDerWaalsContact O-CG 3.31Å; Q50-K54 WeakPolarHBondContact O-CG 3.17Å; Q50-K54 PolarHBondContact O-N 2.91Å; K51-K54 PolarHBondContact O-N 3.17Å; Y52-K54 VanDerWaalsContact C-N 3.32Å; Y52-K54 PolarHBondContact O-N 3.21Å; K54-V59 HydrophobicContact CG-CG2 4.16Å; K54-D64 WeakPolarHBondContact CE-OD1 3.48Å; K54-D64 WeakPolarHBondContact CE-OD2 3.47Å; K54-D64 VanDerWaalsContact NZ-CG 3.28Å; K54-D64 IonicContact NZ-OD1 3.11Å; K54-D64 PolarHBondContact NZ-OD1 3.38Å; K54-D64 VanDerWaalsContact NZ-OD1 3.11Å; K54-D64 IonicContact NZ-OD2 2.67Å; K54-D64 PolarHBondContact NZ-OD2 3.15Å
55S96.6Very high95.8Very high82 Ų8271 Ų7157%0.57337%0.368SS*.Hα-helixtrans-96.3-19.8177.970.90000114.5K51 Y52 I53K51-S55 PolarHBondContact O-N 2.65Å; K51-S55 VanDerWaalsContact O-N 3.13Å; K51-S55 PolarHBondContact O-OG 2.91Å; Y52-S55 PolarHBondContact O-N 3.12Å; Y52-S55 VanDerWaalsContact O-N 3.13Å; Y52-S55 PolarHBondContact O-OG 3.48Å; I53-S55 VanDerWaalsContact C-N 3.32Å; I53-S55 PolarHBondContact O-N 3.14Å
56H96Very high95.8Very high106 Ų10673.4 Ų73.449%0.49138%0.375SS..Hα-helixtrans-106.7-20.8-177.3-63.181.5000114Y52Y52-H56 AromaticContact CD1-ND1 3.87Å; Y52-H56 AromaticContact CD2-CE1 3.27Å; Y52-H56 WeakPolarHBondContact CD2-CE1 3.33Å; Y52-H56 AromaticContact CD2-ND1 3.47Å; Y52-H56 WeakPolarHBondContact CD2-ND1 3.33Å; Y52-H56 HydrophobicContact CE1-CB 4.26Å; Y52-H56 AromaticContact CE1-ND1 3.96Å; Y52-H56 AromaticContact CE2-CD2 3.99Å; Y52-H56 AromaticContact CE2-CE1 3.25Å; Y52-H56 WeakPolarHBondContact CE2-CE1 3.44Å; Y52-H56 AromaticContact CE2-CG 4Å; Y52-H56 AromaticContact CE2-ND1 3.55Å; Y52-H56 AromaticContact CE2-NE2 3.53Å; Y52-H56 AromaticContact CG-CE1 3.91Å; Y52-H56 AromaticContact CG-ND1 3.62Å; Y52-H56 AromaticContact CZ-CD2 3.96Å; Y52-H56 AromaticContact CZ-CE1 3.9Å; Y52-H56 AromaticContact CZ-CG 3.84Å; Y52-H56 AromaticContact CZ-ND1 3.8Å; Y52-H56 AromaticContact CZ-NE2 4Å; Y52-H56 PolarHBondContact O-N 3.11Å; Y52-H56 PolarHBondContact O-ND1 3.1Å
57Y95.8Very high95.8Very high67 Ų6770.7 Ų70.726%0.26337%0.365SS..SBendtrans-130.5146.6-175.2-56.5-73.7000112.8P25 M30 Y52 I53 V59P25-Y57 HydrophobicContact CG-CD1 4.33Å; P25-Y57 HydrophobicContact CG-CE1 3.95Å; M30-Y57 HydrophobicContact CB-CD2 4.16Å; M30-Y57 HydrophobicContact CB-CE2 3.86Å; M30-Y57 HydrophobicContact CG-CD1 4.45Å; M30-Y57 HydrophobicContact CG-CD2 3.72Å; M30-Y57 HydrophobicContact CG-CE1 4.36Å; M30-Y57 HydrophobicContact CG-CE2 3.61Å; M30-Y57 HydrophobicContact CG-CG 4.14Å; M30-Y57 HydrophobicContact SD-CD1 4.16Å; M30-Y57 HydrophobicContact SD-CD2 3.46Å; M30-Y57 WeakPolarHBondContact SD-CD2 2.99Å; M30-Y57 HydrophobicContact SD-CE2 4.03Å; M30-Y57 HydrophobicContact SD-CG 3.53Å; M30-Y57 VanDerWaalsContact SD-CG 3.53Å; Y52-Y57 HydrophobicContact CE1-CE2 4.08Å; I53-Y57 HydrophobicContact CG2-CD2 4.26Å; I53-Y57 PolarHBondContact O-N 3.03Å; I53-Y57 VanDerWaalsContact O-N 3.08Å; Y57-V59 VanDerWaalsContact C-N 3.31Å; Y57-V59 PolarHBondContact O-N 2.74Å
58K94.5Very high95.8Very high171 Ų17169.4 Ų69.474%0.74336%0.358SS*.  trans-77.579.5177.9-146.572.1169-74.90109.8S23S23-K58 PolarHBondContact OG-O 3.33Å
59V93.7Very high95.9Very high34 Ų3471 Ų7121%0.20636%0.363CS..  trans-104.8147.4-178.8-61.90000112.6H24 M30 I53 K54 Y57 A63H24-V59 HydrophobicContact CB-CG1 4.4Å; M30-V59 HydrophobicContact CE-CG1 4.24Å; M30-V59 HydrophobicContact SD-CG1 4.25Å; I53-V59 HydrophobicContact CG2-CG1 3.88Å; I53-V59 HydrophobicContact CG2-CG2 4.41Å; K54-V59 HydrophobicContact CG-CG2 4.16Å; Y57-V59 VanDerWaalsContact C-N 3.31Å; Y57-V59 PolarHBondContact O-N 2.74Å; V59-A63 HydrophobicContact CB-CB 4.06Å; V59-A63 HydrophobicContact CG2-CB 3.89Å
60G91.8Very high95.9Very high46 Ų4671.6 Ų71.647%0.47437%0.367SS..  trans-89.7175.5173.100000113.7N62 A63G60-N62 PolarHBondContact O-N 2.86Å; G60-A63 VanDerWaalsContact O-CB 3.23Å; G60-A63 WeakPolarHBondContact O-CB 3.39Å; G60-A63 PolarHBondContact O-N 3.46Å
61D92.6Very high95.9Very high153 Ų15371.3 Ų71.382%0.81837%0.366SS*.THydrogen-bonded Turntrans-56.5-30.1-169.8-46.5-88.9000114.1A63D61-A63 PolarHBondContact O-N 2.92Å; D61-A63 VanDerWaalsContact O-N 3.11Å
62N94.4Very high95.8Very high119 Ų11969.1 Ų69.164%0.63636%0.356SS*.THydrogen-bonded Turntrans-67.6-5.7177-72.7-71000114.3G60 D64 S65 Q66G60-N62 PolarHBondContact O-N 2.86Å; N62-D64 VanDerWaalsContact C-N 3.3Å; N62-D64 PolarHBondContact O-N 3.31Å; N62-S65 PolarHBondContact O-N 3.44Å; N62-S65 VanDerWaalsContact O-N 3.16Å; N62-Q66 WeakPolarHBondContact O-CG 3.32Å; N62-Q66 PolarHBondContact O-N 3.1Å
63A95.5Very high95.8Very high0 Ų074.4 Ų74.40%038%0.376CS..Hα-helixtrans-53.2-41.8-179.200000113.2Y27 V59 G60 D61 S65 Q66 I67Y27-A63 HydrophobicContact CE1-CB 4.22Å; V59-A63 HydrophobicContact CB-CB 4.06Å; V59-A63 HydrophobicContact CG2-CB 3.89Å; G60-A63 VanDerWaalsContact O-CB 3.23Å; G60-A63 WeakPolarHBondContact O-CB 3.39Å; G60-A63 PolarHBondContact O-N 3.46Å; D61-A63 PolarHBondContact O-N 2.92Å; D61-A63 VanDerWaalsContact O-N 3.11Å; A63-S65 VanDerWaalsContact C-N 3.27Å; A63-S65 PolarHBondContact O-N 3.25Å; A63-Q66 PolarHBondContact O-N 3.32Å; A63-I67 HydrophobicContact CB-CD1 4.45Å; A63-I67 WeakPolarHBondContact O-CB 3.49Å; A63-I67 WeakPolarHBondContact O-CD1 3.04Å; A63-I67 WeakPolarHBondContact O-CG1 3.44Å; A63-I67 PolarHBondContact O-N 3.23Å
64D96.3Very high95.7Very high47 Ų4775 Ų7525%0.25138%0.379SS..Hα-helixtrans-63.7-33.3-177.6-62.8-70.7000113.1Q50 K54 N62 K68Q50-D64 PolarHBondContact NE2-OD1 3.37Å; K54-D64 WeakPolarHBondContact CE-OD1 3.48Å; K54-D64 WeakPolarHBondContact CE-OD2 3.47Å; K54-D64 VanDerWaalsContact NZ-CG 3.28Å; K54-D64 IonicContact NZ-OD1 3.11Å; K54-D64 PolarHBondContact NZ-OD1 3.38Å; K54-D64 VanDerWaalsContact NZ-OD1 3.11Å; K54-D64 IonicContact NZ-OD2 2.67Å; K54-D64 PolarHBondContact NZ-OD2 3.15Å; N62-D64 VanDerWaalsContact C-N 3.3Å; N62-D64 PolarHBondContact O-N 3.31Å; D64-K68 WeakPolarHBondContact O-CB 3.39Å; D64-K68 PolarHBondContact O-N 2.93Å
65S97Very high95.6Very high74 Ų7471.7 Ų71.752%0.51737%0.367SS..Hα-helixtrans-77.3-42174.6-69.90000111.7N62 A63 K68 L69N62-S65 PolarHBondContact O-N 3.44Å; N62-S65 VanDerWaalsContact O-N 3.16Å; A63-S65 VanDerWaalsContact C-N 3.27Å; A63-S65 PolarHBondContact O-N 3.25Å; S65-K68 PolarHBondContact O-N 2.99Å; S65-L69 WeakPolarHBondContact O-CB 3.42Å; S65-L69 PolarHBondContact O-N 2.94Å
66Q96.5Very high95.4Very high83 Ų8372.6 Ų72.639%0.38837%0.374SS..Hα-helixtrans-66.1-38.3177.8-66.6-67.24.600112.5Y27 N62 A63 L69 S70Y27-Q66 HydrophobicContact CD1-CB 3.92Å; Y27-Q66 HydrophobicContact CD2-CB 3.87Å; Y27-Q66 HydrophobicContact CD2-CG 4.42Å; Y27-Q66 HydrophobicContact CE1-CB 3.76Å; Y27-Q66 HydrophobicContact CE2-CB 3.72Å; Y27-Q66 HydrophobicContact CE2-CG 3.99Å; Y27-Q66 HydrophobicContact CG-CB 3.99Å; N62-Q66 WeakPolarHBondContact O-CG 3.32Å; N62-Q66 PolarHBondContact O-N 3.1Å; A63-Q66 PolarHBondContact O-N 3.32Å; Q66-L69 PolarHBondContact O-N 2.89Å; Q66-S70 VanDerWaalsContact O-CB 3.23Å; Q66-S70 WeakPolarHBondContact O-CB 3.33Å; Q66-S70 PolarHBondContact O-N 2.88Å; Q66-S70 PolarHBondContact O-OG 3.32Å
67I97.1Very high95.3Very high0 Ų070.1 Ų70.10%038%0.377CS..Hα-helixtrans-65.3-45.7173.4-67.2164.2000110.2Y27 I31 V49 Q50 I53 A63 L69 S70 L71Y27-I67 HydrophobicContact CD1-CG1 3.71Å; Y27-I67 HydrophobicContact CE1-CD1 4.45Å; Y27-I67 HydrophobicContact CE1-CG1 3.9Å; I31-I67 HydrophobicContact CD1-CG2 4.43Å; V49-I67 HydrophobicContact CG1-CG2 3.86Å; Q50-I67 HydrophobicContact CB-CD1 4.49Å; Q50-I67 HydrophobicContact CG-CB 4.4Å; Q50-I67 HydrophobicContact CG-CD1 3.85Å; Q50-I67 HydrophobicContact CG-CG2 3.97Å; I53-I67 HydrophobicContact CB-CD1 4.12Å; I53-I67 HydrophobicContact CD1-CD1 3.83Å; I53-I67 HydrophobicContact CD1-CG1 3.95Å; I53-I67 HydrophobicContact CG2-CD1 4.14Å; A63-I67 HydrophobicContact CB-CD1 4.45Å; A63-I67 WeakPolarHBondContact O-CB 3.49Å; A63-I67 WeakPolarHBondContact O-CD1 3.04Å; A63-I67 WeakPolarHBondContact O-CG1 3.44Å; A63-I67 PolarHBondContact O-N 3.23Å; I67-L69 VanDerWaalsContact C-N 3.32Å; I67-L69 PolarHBondContact O-N 2.94Å; I67-S70 PolarHBondContact O-N 3.1Å; I67-L71 HydrophobicContact CG2-CD1 3.79Å; I67-L71 HydrophobicContact CG2-CG 4.3Å; I67-L71 WeakPolarHBondContact O-CB 3.43Å; I67-L71 VanDerWaalsContact O-CG 3.31Å; I67-L71 WeakPolarHBondContact O-CG 3.46Å; I67-L71 PolarHBondContact O-N 3.14Å
68K96.9Very high95.1Very high101 Ų10168.9 Ų68.944%0.43939%0.385SS..Hα-helixtrans-58.6-41.8176.6-170.4-169.1-63.9176.70112D64 S65 K72 A88D64-K68 WeakPolarHBondContact O-CB 3.39Å; D64-K68 PolarHBondContact O-N 2.93Å; S65-K68 PolarHBondContact O-N 2.99Å; K68-K72 PolarHBondContact O-N 3.39Å; K68-A88 HydrophobicContact CG-CB 3.56Å
69L97.4Very high95Very high71 Ų7163.9 Ų63.937%0.37237%0.369SS..Hα-helixtrans-71-43.2177.3179.359.6000112.3S65 Q66 I67 K72 R73S65-L69 WeakPolarHBondContact O-CB 3.42Å; S65-L69 PolarHBondContact O-N 2.94Å; Q66-L69 PolarHBondContact O-N 2.89Å; I67-L69 VanDerWaalsContact C-N 3.32Å; I67-L69 PolarHBondContact O-N 2.94Å; L69-K72 PolarHBondContact O-N 3.2Å; L69-R73 WeakPolarHBondContact O-CG 3.2Å; L69-R73 PolarHBondContact O-N 2.93Å; L69-R73 VanDerWaalsContact O-N 3.14Å
70S97.1Very high95Very high14 Ų1462.4 Ų62.410%0.09836%0.36CS..Hα-helixtrans-67.5-42-178.2-58.60000111.8Y27 Q66 I67 K72 R73 M74Y27-S70 WeakPolarHBondContact CB-OG 2.99Å; Q66-S70 VanDerWaalsContact O-CB 3.23Å; Q66-S70 WeakPolarHBondContact O-CB 3.33Å; Q66-S70 PolarHBondContact O-N 2.88Å; Q66-S70 PolarHBondContact O-OG 3.32Å; I67-S70 PolarHBondContact O-N 3.1Å; S70-K72 PolarHBondContact O-N 3.31Å; S70-R73 PolarHBondContact O-N 3.46Å; S70-R73 VanDerWaalsContact O-N 3.13Å; S70-M74 VanDerWaalsContact O-CG 3.31Å; S70-M74 WeakPolarHBondContact O-CG 3.37Å; S70-M74 PolarHBondContact O-N 3.44Å
71L97.1Very high95.1Very high0 Ų065.2 Ų65.20%036%0.356CS..Hα-helixtrans-57-45.6173.4-73166.9000111.8I31 R46 I67 R73 M74 V75 L80 F92I31-L71 HydrophobicContact CD1-CD2 4.24Å; I31-L71 HydrophobicContact CD1-CG 4.07Å; I31-L71 HydrophobicContact CG2-CD2 3.8Å; R46-L71 HydrophobicContact CB-CD1 4.11Å; R46-L71 HydrophobicContact CG-CD1 4.08Å; I67-L71 HydrophobicContact CG2-CD1 3.79Å; I67-L71 HydrophobicContact CG2-CG 4.3Å; I67-L71 WeakPolarHBondContact O-CB 3.43Å; I67-L71 VanDerWaalsContact O-CG 3.31Å; I67-L71 WeakPolarHBondContact O-CG 3.46Å; I67-L71 PolarHBondContact O-N 3.14Å; L71-R73 VanDerWaalsContact C-N 3.33Å; L71-R73 PolarHBondContact O-N 3.06Å; L71-M74 PolarHBondContact O-N 2.85Å; L71-V75 WeakPolarHBondContact O-CG2 3.29Å; L71-V75 PolarHBondContact O-N 3.03Å; L71-L80 HydrophobicContact CD2-CD1 3.85Å; L71-F92 HydrophobicContact CB-CZ 4.49Å; L71-F92 HydrophobicContact CD1-CE2 4.05Å; L71-F92 HydrophobicContact CD1-CZ 4.42Å; L71-F92 HydrophobicContact CD2-CD2 3.93Å; L71-F92 HydrophobicContact CD2-CE2 3.99Å; L71-F92 HydrophobicContact CD2-CG 4.28Å; L71-F92 HydrophobicContact CD2-CZ 4.37Å
72K95.9Very high95.2Very high121 Ų12160 Ų6053%0.52633%0.326SS..Hα-helixtrans-57.3-45.8175-73.7-179.365.3177.90112K68 L69 S70 V75 S76 A88K68-K72 PolarHBondContact O-N 3.39Å; L69-K72 PolarHBondContact O-N 3.2Å; S70-K72 PolarHBondContact O-N 3.31Å; K72-V75 PolarHBondContact O-N 3.14Å; K72-S76 PolarHBondContact O-N 3.08Å; K72-S76 PolarHBondContact O-OG 3.04Å; K72-A88 HydrophobicContact CG-CB 4.07Å
73R96.4Very high95.1Very high165 Ų16556.4 Ų56.462%0.62331%0.309SS*.Hα-helixtrans-67.3-40.2-178.7-72176.9173.6-171.2-2.4112.7L69 S70 L71 S76 G77L69-R73 WeakPolarHBondContact O-CG 3.2Å; L69-R73 PolarHBondContact O-N 2.93Å; L69-R73 VanDerWaalsContact O-N 3.14Å; S70-R73 PolarHBondContact O-N 3.46Å; S70-R73 VanDerWaalsContact O-N 3.13Å; L71-R73 VanDerWaalsContact C-N 3.33Å; L71-R73 PolarHBondContact O-N 3.06Å; R73-S76 WeakPolarHBondContact CA-OG 3.48Å; R73-S76 PolarHBondContact O-N 2.97Å; R73-S76 PolarHBondContact O-OG 2.99Å; R73-G77 PolarHBondContact O-N 3.15Å
74M95.1Very high95Very high12 Ų1263.3 Ų63.36%0.05934%0.339CS..Hα-helixtrans-71.3-30.3178.1-67.6170.181.900112.5S28 I31 M32 S70 L71 G78 V79 L80S28-M74 WeakPolarHBondContact O-CE 3.47Å; I31-M74 HydrophobicContact CB-CE 4.28Å; I31-M74 HydrophobicContact CB-SD 4.07Å; I31-M74 HydrophobicContact CD1-SD 4Å; I31-M74 HydrophobicContact CG2-CE 4.04Å; I31-M74 HydrophobicContact CG2-SD 3.94Å; M32-M74 HydrophobicContact CG-CE 3.67Å; M32-M74 HydrophobicContact SD-CE 4.24Å; S70-M74 VanDerWaalsContact O-CG 3.31Å; S70-M74 WeakPolarHBondContact O-CG 3.37Å; S70-M74 PolarHBondContact O-N 3.44Å; L71-M74 PolarHBondContact O-N 2.85Å; M74-G78 PolarHBondContact O-N 2.94Å; M74-V79 HydrophobicContact CB-CB 4.39Å; M74-V79 HydrophobicContact CE-CG1 4.14Å; M74-V79 PolarHBondContact O-N 3.27Å; M74-L80 HydrophobicContact CB-CB 4.33Å; M74-L80 HydrophobicContact CB-CD1 3.76Å; M74-L80 HydrophobicContact CB-CG 3.94Å; M74-L80 HydrophobicContact CE-CD1 3.87Å; M74-L80 HydrophobicContact CE-CG 4.05Å; M74-L80 PolarHBondContact O-N 3.23Å; M74-L80 VanDerWaalsContact O-N 3.09Å; M74-L80 HydrophobicContact SD-CD1 3.99Å
75V94.5Very high94.9Very high39 Ų3963.4 Ų63.424%0.23635%0.351CS..Hα-helixtrans-72.1-46.1170.9170.60000111.3L71 K72 G77 G78 L80 F92L71-V75 WeakPolarHBondContact O-CG2 3.29Å; L71-V75 PolarHBondContact O-N 3.03Å; K72-V75 PolarHBondContact O-N 3.14Å; V75-G77 VanDerWaalsContact C-N 3.27Å; V75-G77 PolarHBondContact O-N 2.87Å; V75-G78 PolarHBondContact O-N 3.39Å; V75-G78 VanDerWaalsContact O-N 3.14Å; V75-L80 WeakPolarHBondContact CA-O 3.46Å; V75-L80 HydrophobicContact CG2-CB 4.08Å; V75-F92 HydrophobicContact CG2-CD1 3.81Å; V75-F92 HydrophobicContact CG2-CE1 3.78Å
76S92.8Very high94.6Very high101 Ų10167.3 Ų67.371%0.70637%0.365SS*.Hα-helixtrans-66.8-29.317758.50000113.1K72 R73 G78K72-S76 PolarHBondContact O-N 3.08Å; K72-S76 PolarHBondContact O-OG 3.04Å; R73-S76 WeakPolarHBondContact CA-OG 3.48Å; R73-S76 PolarHBondContact O-N 2.97Å; R73-S76 PolarHBondContact O-OG 2.99Å; S76-G78 VanDerWaalsContact C-N 3.31Å
77G92.4Very high94.3Very high54 Ų5464.7 Ų64.756%0.55736%0.36SS*.THydrogen-bonded Turntrans-86.710.9173.300000114.6R73 V75 V79R73-G77 PolarHBondContact O-N 3.15Å; V75-G77 VanDerWaalsContact C-N 3.27Å; V75-G77 PolarHBondContact O-N 2.87Å; G77-V79 PolarHBondContact O-N 3.47Å
78G91.3Very high94.1Very high42 Ų4265.5 Ų65.543%0.43337%0.367SS..THydrogen-bonded Turntrans71.6-4.5173.900000116.9M74 V75 S76 L80 A95M74-G78 PolarHBondContact O-N 2.94Å; V75-G78 PolarHBondContact O-N 3.39Å; V75-G78 VanDerWaalsContact O-N 3.14Å; S76-G78 VanDerWaalsContact C-N 3.31Å; G78-L80 VanDerWaalsContact C-N 3.35Å; G78-L80 PolarHBondContact O-N 3.2Å; G78-A95 WeakPolarHBondContact O-CB 3.36Å
79V93.5Very high93.9Very high66 Ų6665 Ų6540%0.438%0.376SS..SBendtrans-67.6-34.2-179.4-177.50000112.1M32 M74 G77 A95M32-V79 HydrophobicContact SD-CG1 4.39Å; M74-V79 HydrophobicContact CB-CB 4.39Å; M74-V79 HydrophobicContact CE-CG1 4.14Å; M74-V79 PolarHBondContact O-N 3.27Å; G77-V79 PolarHBondContact O-N 3.47Å; V79-A95 PolarHBondContact O-N 2.83Å
80L94.3Very high93.7Very high3 Ų362.5 Ų62.52%0.01637%0.367CS..EExtended strand (participates in β ladder)trans-119.4133177.7-67.6178.6000111.4I31 V35 L71 M74 V75 G78 F92 K93 L94I31-L80 HydrophobicContact CG2-CD1 3.81Å; V35-L80 HydrophobicContact CG2-CD2 4.33Å; L71-L80 HydrophobicContact CD2-CD1 3.85Å; M74-L80 HydrophobicContact CB-CB 4.33Å; M74-L80 HydrophobicContact CB-CD1 3.76Å; M74-L80 HydrophobicContact CB-CG 3.94Å; M74-L80 HydrophobicContact CE-CD1 3.87Å; M74-L80 HydrophobicContact CE-CG 4.05Å; M74-L80 PolarHBondContact O-N 3.23Å; M74-L80 VanDerWaalsContact O-N 3.09Å; M74-L80 HydrophobicContact SD-CD1 3.99Å; V75-L80 WeakPolarHBondContact CA-O 3.46Å; V75-L80 HydrophobicContact CG2-CB 4.08Å; G78-L80 VanDerWaalsContact C-N 3.35Å; G78-L80 PolarHBondContact O-N 3.2Å; L80-F92 HydrophobicContact CB-CB 4.48Å; L80-F92 HydrophobicContact CD1-CB 4.42Å; L80-K93 WeakPolarHBondContact CA-O 3.47Å; L80-L94 HydrophobicContact CD2-CD2 4Å
81R93.4Very high93.7Very high104 Ų10462.8 Ų62.839%0.39237%0.369SS..EExtended strand (participates in β ladder)trans-110.2132.1178.9174.3-96147.2135.1-12.6111T83 K93 A95 D99R81-T83 PolarHBondContact O-N 3.29Å; R81-K93 PolarHBondContact N-O 3.47Å; R81-K93 PolarHBondContact O-N 3.35Å; R81-K93 VanDerWaalsContact O-N 3.1Å; R81-A95 HydrophobicContact CB-CB 4.25Å; R81-D99 WeakPolarHBondContact CD-OD1 3.31Å; R81-D99 HydrophobicContact CG-CB 4.19Å; R81-D99 IonicContact CZ-OD1 3.39Å; R81-D99 IonicContact NE-OD1 3.56Å; R81-D99 IonicContact NH1-OD1 2.7Å; R81-D99 PolarHBondContact NH1-OD1 2.79Å; R81-D99 IonicContact NH1-OD2 3.5Å; R81-D99 PolarHBondContact NH1-OD2 2.92Å
82H93.5Very high93.6Very high43 Ų4362.8 Ų62.820%0.19937%0.369CS..EExtended strand (participates in β ladder)trans-67.8120.1179.4-92.4-77.6000112.4K84 G85 G87 F92H82-K84 PolarHBondContact ND1-O 2.97Å; H82-K84 VanDerWaalsContact ND1-O 3.16Å; H82-G85 PolarHBondContact ND1-O 3.16Å; H82-G87 PolarHBondContact CE1-N 2.96Å; H82-G87 VanDerWaalsContact CE1-N 3.26Å; H82-G87 PolarHBondContact CE1-O 3.4Å; H82-G87 PolarHBondContact NE2-N 2.78Å; H82-G87 PolarHBondContact NE2-O 2.96Å; H82-G87 VanDerWaalsContact NE2-O 3.16Å; H82-F92 AromaticContact CE1-CE1 3.43Å; H82-F92 VanDerWaalsContact CE1-CE1 3.43Å; H82-F92 WeakPolarHBondContact CE1-CE1 3.23Å; H82-F92 AromaticContact ND1-CE1 3.77Å; H82-F92 AromaticContact NE2-CE1 3.87Å
83T93.7Very high93.5Very high44 Ų4461.4 Ų61.427%0.2736%0.363SS..EExtended strand (participates in β ladder)trans-90.3-32167.2620000112G42 R81 S91 K93G42-T83 WeakPolarHBondContact O-CB 3.22Å; G42-T83 WeakPolarHBondContact O-CG2 3.25Å; G42-T83 PolarHBondContact O-OG1 2.87Å; R81-T83 PolarHBondContact O-N 3.29Å; T83-S91 PolarHBondContact N-O 3.04Å; T83-S91 WeakPolarHBondContact OG1-CB 3.43Å; T83-S91 PolarHBondContact OG1-O 3.42Å; T83-S91 VanDerWaalsContact OG1-O 3.11Å; T83-K93 HydrophobicContact CG2-CB 4.25Å; T83-K93 HydrophobicContact CG2-CD 3.58Å; T83-K93 HydrophobicContact CG2-CG 3.66Å
84K92.2Very high93.4Very high145 Ų14556.3 Ų56.363%0.6335%0.348SS*.EExtended strand (participates in β ladder)trans-146.4156.3176.7-63.5-174.7179-177.80110.1H82 G90 S91H82-K84 PolarHBondContact ND1-O 2.97Å; H82-K84 VanDerWaalsContact ND1-O 3.16Å; K84-G90 WeakPolarHBondContact O-CA 3.39Å; K84-S91 PolarHBondContact N-O 2.89Å; K84-S91 PolarHBondContact O-N 2.92Å; K84-S91 VanDerWaalsContact O-N 3.1Å
85G94.1Very high93.1Very high50 Ų5057.5 Ų57.552%0.51536%0.36SS..EExtended strand (participates in β ladder)trans72.1-170.9175.500000114.1H82 S89H82-G85 PolarHBondContact ND1-O 3.16Å; G85-S89 CarbonylContact C-O 3.51Å; G85-S89 VanDerWaalsContact CA-O 3.27Å; G85-S89 WeakPolarHBondContact CA-O 3.27Å
86I91.9Very high92.4Very high156 Ų15662.9 Ų62.980%0.838%0.38SS*.EExtended strand (participates in β ladder)trans-142133.1-174.8-57179.3000109.3S89I86-S89 PolarHBondContact N-O 3.27Å; I86-S89 PolarHBondContact O-N 2.63Å
87G90.6Very high90.9Very high28 Ų2862.8 Ų62.829%0.28939%0.386SS..THydrogen-bonded Turntrans69.4-131.317800000112.9H82 S89 F92H82-G87 PolarHBondContact CE1-N 2.96Å; H82-G87 VanDerWaalsContact CE1-N 3.26Å; H82-G87 PolarHBondContact CE1-O 3.4Å; H82-G87 PolarHBondContact NE2-N 2.78Å; H82-G87 PolarHBondContact NE2-O 2.96Å; H82-G87 VanDerWaalsContact NE2-O 3.16Å; G87-S89 VanDerWaalsContact C-N 3.26Å; G87-S89 PolarHBondContact O-N 3.08Å; G87-F92 WeakPolarHBondContact O-CE1 3.35Å; G87-F92 WeakPolarHBondContact O-CZ 3.47Å
88A91.7Very high89.4Confident17 Ų1767.8 Ų67.814%0.1439%0.394CS..THydrogen-bonded Turntrans-77.9-7.9177.700000114R46 K68 K72R46-A88 WeakPolarHBondContact CD-O 3.07Å; K68-A88 HydrophobicContact CG-CB 3.56Å; K72-A88 HydrophobicContact CG-CB 4.07Å
89S92.8Very high87.7Confident90 Ų9068.2 Ų68.263%0.62939%0.387SS*.EExtended strand (participates in β ladder)trans-104.4108.6-179-168.40000109.6G85 I86 G87G85-S89 CarbonylContact C-O 3.51Å; G85-S89 VanDerWaalsContact CA-O 3.27Å; G85-S89 WeakPolarHBondContact CA-O 3.27Å; I86-S89 PolarHBondContact N-O 3.27Å; I86-S89 PolarHBondContact O-N 2.63Å; G87-S89 VanDerWaalsContact C-N 3.26Å; G87-S89 PolarHBondContact O-N 3.08Å
90G94.5Very high85.9Confident18 Ų1870.3 Ų70.319%0.18640%0.4CS..EExtended strand (participates in β ladder)trans161.1-164.6-176.300000114.8S45 R46 K84S45-G90 WeakPolarHBondContact CA-O 3.32Å; R46-G90 PolarHBondContact N-O 3.43Å; R46-G90 VanDerWaalsContact N-O 3.15Å; K84-G90 WeakPolarHBondContact O-CA 3.39Å
91S95.3Very high84Confident21 Ų2179.6 Ų79.615%0.14744%0.44CS..EExtended strand (participates in β ladder)trans-120.9144.9170.7-71.90000110.2A44 T83 K84A44-S91 VanDerWaalsContact O-CA 3.32Å; A44-S91 WeakPolarHBondContact O-CA 3.28Å; T83-S91 PolarHBondContact N-O 3.04Å; T83-S91 WeakPolarHBondContact OG1-CB 3.43Å; T83-S91 PolarHBondContact OG1-O 3.42Å; T83-S91 VanDerWaalsContact OG1-O 3.11Å; K84-S91 PolarHBondContact N-O 2.89Å; K84-S91 PolarHBondContact O-N 2.92Å; K84-S91 VanDerWaalsContact O-N 3.1Å
92F95.8Very high82Confident0 Ų083.2 Ų83.20%046%0.459CS..EExtended strand (participates in β ladder)trans-131.1145.3-168.2-49.1-87000110.3G43 A44 R46 L71 V75 L80 H82 G87G43-F92 CarbonylContact C-O 3.4Å; G43-F92 WeakPolarHBondContact CA-O 3.4Å; A44-F92 PolarHBondContact N-O 3.3Å; A44-F92 PolarHBondContact O-N 3.45Å; R46-F92 HydrophobicContact CB-CE2 4.41Å; L71-F92 HydrophobicContact CB-CZ 4.49Å; L71-F92 HydrophobicContact CD1-CE2 4.05Å; L71-F92 HydrophobicContact CD1-CZ 4.42Å; L71-F92 HydrophobicContact CD2-CD2 3.93Å; L71-F92 HydrophobicContact CD2-CE2 3.99Å; L71-F92 HydrophobicContact CD2-CG 4.28Å; L71-F92 HydrophobicContact CD2-CZ 4.37Å; V75-F92 HydrophobicContact CG2-CD1 3.81Å; V75-F92 HydrophobicContact CG2-CE1 3.78Å; L80-F92 HydrophobicContact CB-CB 4.48Å; L80-F92 HydrophobicContact CD1-CB 4.42Å; H82-F92 AromaticContact CE1-CE1 3.43Å; H82-F92 VanDerWaalsContact CE1-CE1 3.43Å; H82-F92 WeakPolarHBondContact CE1-CE1 3.23Å; H82-F92 AromaticContact ND1-CE1 3.77Å; H82-F92 AromaticContact NE2-CE1 3.87Å; G87-F92 WeakPolarHBondContact O-CE1 3.35Å; G87-F92 WeakPolarHBondContact O-CZ 3.47Å
93K94.4Very high80.4Confident91 Ų9185.1 Ų85.140%0.39648%0.482SS..EExtended strand (participates in β ladder)trans-126.8155.1165.7-66.4179.785.4157.40108.4R41 L80 R81 T83 A95R41-K93 PolarHBondContact O-NZ 2.95Å; R41-K93 VanDerWaalsContact O-NZ 3.14Å; L80-K93 WeakPolarHBondContact CA-O 3.47Å; R81-K93 PolarHBondContact N-O 3.47Å; R81-K93 PolarHBondContact O-N 3.35Å; R81-K93 VanDerWaalsContact O-N 3.1Å; T83-K93 HydrophobicContact CG2-CB 4.25Å; T83-K93 HydrophobicContact CG2-CD 3.58Å; T83-K93 HydrophobicContact CG2-CG 3.66Å; K93-A95 PolarHBondContact O-N 3.38Å
94L93.3Very high78.6Confident59 Ų5989 Ų8931%0.30951%0.508SS..EExtended strand (participates in β ladder)trans-53.9133166.8-64.5174.6000108.4M32 V35 Q36 L80 K96M32-L94 HydrophobicContact CB-CD2 4.49Å; M32-L94 HydrophobicContact CE-CD2 4.4Å; M32-L94 HydrophobicContact CG-CD2 4.07Å; V35-L94 HydrophobicContact CG1-CD2 4.46Å; V35-L94 HydrophobicContact CG1-CG 4.01Å; Q36-L94 HydrophobicContact CG-CD1 3.9Å; L80-L94 HydrophobicContact CD2-CD2 4Å; L94-K96 PolarHBondContact O-N 3.11Å
95A89.5Confident76.8Confident37 Ų3791.9 Ų91.931%0.30652%0.52SS..PPolyproline II helixtrans-67.6133.1174.700000109.8G78 V79 R81 K93G78-A95 WeakPolarHBondContact O-CB 3.36Å; V79-A95 PolarHBondContact O-N 2.83Å; R81-A95 HydrophobicContact CB-CB 4.25Å; K93-A95 PolarHBondContact O-N 3.38Å
96K79.4Confident74.7Confident151 Ų15194.1 Ų94.166%0.65753%0.534SS*.PPolyproline II helixtrans-92.4153.9163.2-64.1-173.5173.6-165.30108.3L94 E98 D99L94-K96 PolarHBondContact O-N 3.11Å; K96-E98 PolarHBondContact O-N 2.94Å; K96-D99 PolarHBondContact O-N 3.05Å
97A62Low72.5Confident100 Ų10096.6 Ų96.683%0.82654%0.539SS*.THydrogen-bonded Turntrans-55.7-18.6-177.100000114.6T100A97-T100 PolarHBondContact O-OG1 2.93Å
98E59.6Low70.7Confident159 Ų15999.9 Ų99.974%0.74356%0.564SS**THydrogen-bonded Turntrans-88-24.7-178.5-52.1175.811500114.3K96 T100 K101K96-E98 PolarHBondContact O-N 2.94Å; E98-T100 VanDerWaalsContact C-N 3.27Å; E98-T100 PolarHBondContact O-N 2.67Å; E98-K101 PolarHBondContact O-N 3.11Å
99D57.1Low68.8Low51 Ų51105.3 Ų105.327%0.27360%0.595SS.*G310 helixtrans-71.8-20.8-170.9-118.4-63.7000112.5R81 K96 K101 K102R81-D99 WeakPolarHBondContact CD-OD1 3.31Å; R81-D99 HydrophobicContact CG-CB 4.19Å; R81-D99 IonicContact CZ-OD1 3.39Å; R81-D99 IonicContact NE-OD1 3.56Å; R81-D99 IonicContact NH1-OD1 2.7Å; R81-D99 PolarHBondContact NH1-OD1 2.79Å; R81-D99 IonicContact NH1-OD2 3.5Å; R81-D99 PolarHBondContact NH1-OD2 2.92Å; K96-D99 PolarHBondContact O-N 3.05Å; D99-K101 PolarHBondContact O-N 3.01Å; D99-K102 PolarHBondContact O-N 3.19Å; D99-K102 VanDerWaalsContact O-N 3.11Å
100T54.6Low66.9Low110 Ų110107.5 Ų107.568%0.67560%0.604SS**G310 helixtrans-60.8-21.9176.340.50000113.7A97 E98 K102A97-T100 PolarHBondContact O-OG1 2.93Å; E98-T100 VanDerWaalsContact C-N 3.27Å; E98-T100 PolarHBondContact O-N 2.67Å; T100-K102 VanDerWaalsContact C-N 3.33Å; T100-K102 PolarHBondContact O-N 3.34Å
101K53.8Low64.4Low197 Ų197116.1 Ų116.186%0.85764%0.636SS**G310 helixtrans-79.2-3.7175.1-83.6-176.9175.4175.60114.9E98 D99E98-K101 PolarHBondContact O-N 3.11Å; D99-K101 PolarHBondContact O-N 3.01Å
102K53.4Low62.6Low180 Ų180120.4 Ų120.478%0.78366%0.663SS**G310 helixtrans-120.644.4-176.9-71.3-171.5175174.70115D99 T100 P104D99-K102 PolarHBondContact O-N 3.19Å; D99-K102 VanDerWaalsContact O-N 3.11Å; T100-K102 VanDerWaalsContact C-N 3.33Å; T100-K102 PolarHBondContact O-N 3.34Å; K102-P104 WeakPolarHBondContact O-CD 3.39Å
103A59.1Low60.1Low84 Ų84130 Ų13069%0.69471%0.705SS**PPolyproline II helixtrans-68.4122.1162.700000110.9K105A103-K105 PolarHBondContact O-N 3.13Å
104P56.2Low57.4Low125 Ų125135.7 Ų135.781%0.81273%0.73SS**PPolyproline II helixtrans-72.6123.6177.928.5-33000110.8K102K102-P104 WeakPolarHBondContact O-CD 3.39Å
105K53.9Low54.8Low205 Ų205137.5 Ų137.589%0.89175%0.748SS**PPolyproline II helixtrans-58.3140.7177.2-68.2-175.1177.5-177.80111.2A103 K107A103-K105 PolarHBondContact O-N 3.13Å; K105-K107 PolarHBondContact O-N 3.13Å
106A49.4Very low52.6Low98 Ų98142 Ų14281%0.8177%0.774SS**PPolyproline II helixtrans-64.4130.9-175.600000112.7A108A106-A108 PolarHBondContact O-N 3.36Å
107K46.2Very low50.7Low208 Ų208141 Ų14190%0.90478%0.78SS**  trans-85.381.2168.6-72.7-166.8174.8-171.20110.5K105 V109K105-K107 PolarHBondContact O-N 3.13Å; K107-V109 PolarHBondContact O-N 3.45Å; K107-V109 VanDerWaalsContact O-N 3.16Å
108A52.1Low49.8Very low97 Ų97146.1 Ų146.180%0.80278%0.783SS**  trans-79.886.3174.100000111.1A106A106-A108 PolarHBondContact O-N 3.36Å
109V51.9Low48.9Very low130 Ų130144.8 Ų144.879%0.78879%0.786SS**  trans-138.573.9175.1-169.70000111.7K107K107-V109 PolarHBondContact O-N 3.45Å; K107-V109 VanDerWaalsContact O-N 3.16Å
110V52.6Low48.1Very low136 Ų136146.9 Ų146.982%0.82481%0.81SS**  trans-149.5106.3154.4-170.70000110.6
111K43.4Very low47.5Very low200 Ų200151.1 Ų151.187%0.8782%0.819SS**  179.7125.5126-101.6175.2-178.8-179.50111.3
112P56.5Low47.2Very low110 Ų110147.1 Ų147.171%0.71481%0.813SS**  trans-96.8177.3175.138.6-35.3000112.9
113K42.7Very low46.4Very low201 Ų201148.5 Ų148.587%0.87482%0.82SS**  trans71.6107.2169.1-56.8-178.9178.4-178.10117.4
114K38.5Very low45.4Very low211 Ų211153.6 Ų153.692%0.91783%0.826SS**  -153.2155.7102.3-108.3175-179.5-178.70111
115S39.7Very low44.5Very low98 Ų98154 Ų15469%0.68583%0.826SS**PPolyproline II helixtrans-86157.6-176.3370000112.4
116P43.3Very low43.8Very low131 Ų131148.3 Ų148.385%0.85182%0.817SS**PPolyproline II helixtrans-73130.6177.330.1-34.2000111.3
117V38.9Very low43.4Very low129 Ų129153.4 Ų153.478%0.78282%0.821SS**PPolyproline II helixtrans-98130.6171177.70000109.5V119V117-V119 PolarHBondContact O-N 3.18Å
118K43.2Very low43.7Very low208 Ų208149 Ų14990%0.90481%0.814SS**  trans-82.3102.2-167175-176172.3-175.70112.2
119V40.7Very low43Very low131 Ų131154 Ų15479%0.79482%0.817SS**  trans-151148.5171.4-82.90000109.1V117V117-V119 PolarHBondContact O-N 3.18Å
120A40.5Very low42.2Very low95 Ų95156.8 Ų156.879%0.78582%0.819SS**  cis-148.2-109.1-13.400000111.1
121K41.6Very low41.5Very low199 Ų199156.3 Ų156.387%0.86582%0.816SS**  trans-159.8171.1-171.8-83-175.3-178.9177.70109.2
122P47.5Very low41.1Very low113 Ų113150.9 Ų150.973%0.73481%0.808SS**  cis-135.4162.4-31.535.8-19.3000114.6
123K36.1Very low40.2Very low210 Ų210155.3 Ų155.391%0.91382%0.816SS**  trans-179.4148.4159.3-100.6156.1-176177.50107
124K38.1Very low40Very low191 Ų191151 Ų15183%0.8381%0.811SS**  cis-159.2118.8-7.4174.8-174.5176.9-175.30109.5
125V38Very low40.4Very low133 Ų133146.2 Ų146.281%0.80680%0.802SS**  trans42.3133.4147.9-167.70000122.3
126A38.8Very low40.3Very low85 Ų85145.8 Ų145.870%0.70281%0.805SS**  trans70.7151.4160.100000119.1
127K41.7Very low40Very low205 Ų205149.4 Ų149.489%0.89181%0.807SS**  cis-151166.1-11.4-117.1176.2179.3179.70109.3
128P52.3Low40Very low117 Ų117147.4 Ų147.476%0.7680%0.804SS**  trans-106.9159.8-162.139.6-36000117.8
129K36.6Very low39.9Very low200 Ų200147.1 Ų147.187%0.8780%0.803SS**  trans-163.3128.7153.7-98.3160.7-175.8179.40107
130K35.2Very low39.7Very low190 Ų190150.9 Ų150.983%0.82681%0.809SS**  64.611977.7-164.3173.3-175.7179.80110.4
131V37.3Very low39.7Very low125 Ų125151 Ų15176%0.75881%0.809SS**  cis-151141.624-112.10000109.2
132A36.6Very low39.5Very low86 Ų86151.7 Ų151.771%0.71181%0.812SS**  87.4144.578.200000118.2
133K37.1Very low39.2Very low203 Ų203152.1 Ų152.188%0.88381%0.813SS**  trans67.7126.7177.2-60177.4179178.10116.1
134S37.7Very low39.5Very low110 Ų110147.7 Ų147.777%0.76981%0.808SS**  cis76.5142.824.8-1570000115
135P47.9Very low39.5Very low112 Ų112144.6 Ų144.673%0.72781%0.805SS**  cis-142-178.7-36.540.2-22.6000115.8
136A36.4Very low39.8Very low89 Ų89148.7 Ų148.774%0.73681%0.812SS**  trans46121.7142.800000124.6
137K38.3Very low39.7Very low206 Ų206153.5 Ų153.590%0.89682%0.817SS**  -179140.1129.7-97.9154.3-175.6169.80109.1
138A38.8Very low39.6Very low88 Ų88149.6 Ų149.673%0.72781%0.81SS**  cis87.593.216.600000117.2
139K40.6Very low39Very low201 Ų201152.8 Ų152.887%0.87481%0.812SS**  trans-179.6112.7148.9-99.4163.4-176.6-174.50107.3
140K36.6Very low39Very low211 Ų211152.1 Ų152.192%0.91781%0.809SS**  87.913172.4-90-163.2173.8-174.30113.7
141A40.6Very low39.1Very low97 Ų97148.1 Ų148.180%0.80281%0.805SS**  trans-83171.2-171.200000114.6
142K37.3Very low40Very low213 Ų213147.9 Ų147.993%0.92681%0.806SS**  trans-143.4160.8150.9-116.2-178.9-179.9-176.50110.7
143V40.5Very low39.9Very low122 Ų122153.2 Ų153.274%0.73981%0.813SS**  trans-135.6132-164.5171.30000111.3V145V143-V145 HydrophobicContact CG1-CG2 3.73Å
144S42.5Very low39.9Very low117 Ų117153 Ų15382%0.81881%0.812SS**  trans-164.4109.5160.9450000107.4
145V39.7Very low39.9Very low126 Ų126152.7 Ų152.776%0.76482%0.816SS**  63.988.551.2-170.20000113.1V143V143-V145 HydrophobicContact CG1-CG2 3.73Å
146K42.5Very low39.6Very low219 Ų219151.8 Ų151.895%0.95282%0.819SS**  trans-143.4142.5143.9-142.4166.1-174.3173.40108.1
147K38.4Very low40.3Very low186 Ų186152.6 Ų152.681%0.80982%0.816SS**  trans-152154.6-157.9-163.1-173.3-177.9179.20110.6
148V38.9Very low40.6Very low123 Ų123152.2 Ų152.275%0.74582%0.815SS**  trans73.4144.4172.8-166.30000112.5
149K39.2Very low41.1Very low184 Ų184153.5 Ų153.580%0.882%0.815SS**  cis-141.8143.520.3-139.2156-177.4178.20107.9
150K37.4Very low41Very low186 Ų186154.4 Ų154.481%0.80982%0.819SS**  43.4132.273.4-73.9-173.9177.5-177.70113.3
151S37.2Very low41.1Very low106 Ų106153.4 Ų153.474%0.74182%0.815SS**  cis-165.2174.46.6-96.90000111.1
152P55.5Low41Very low120 Ų120154.4 Ų154.478%0.77981%0.811SS**  trans-100.4158.9-168.238-36.4000116.9
153K33.7Very low41.1Very low199 Ų199149.6 Ų149.687%0.86580%0.799SS**  trans-163.3118.1161.3-126.2172.8-178.2174.60117.2
154K37.5Very low41Very low197 Ų197152.3 Ų152.386%0.85780%0.801SS**  48.1117.5128.3-172.5-171.8-178.6-175.40121.9
155A38.2Very low40.9Very low104 Ų104156.1 Ų156.186%0.8680%0.803SS**  176.1158125.300000115.2
156A42.1Very low40.9Very low94 Ų94154.7 Ų154.778%0.77781%0.805SS**  trans-162.1-179.116700000107.9
157P51.7Low40.7Very low106 Ų106154 Ų15469%0.68880%0.801SS**  cis-141.5171.3-4.544.1-26.5000117.6
158K43Very low40.7Very low197 Ų197151.2 Ų151.286%0.85780%0.8SS**  trans66.9-177.6156.3-66.4170.1178.31790117.8
159P49.9Very low40.8Very low115 Ų115150.1 Ų150.175%0.74780%0.803SS**  -134.6169.6-72.641.9-26.4000115.7
160K38.5Very low41.1Very low220 Ų220150.4 Ų150.496%0.95781%0.805SS**  trans-142.5171.2170-80.6-163.9178.5-179.70116.2
161K39.2Very low41.8Very low190 Ų190147.4 Ų147.483%0.82680%0.804SS**  trans-153.8163.9-155.9-147.2-175.1171.2-1730109.3
162V38.4Very low41.7Very low118 Ų118146.6 Ų146.672%0.71580%0.804SS**  cis-119.9-116.613-158.20000114.4
163V39.8Very low40.8Very low113 Ų113152.8 Ų152.869%0.68581%0.812SS**  cis-151.3136.64.4162.60000110
164K37.8Very low40.9Very low179 Ų179147.9 Ų147.978%0.77881%0.808SS**  trans28.2164.6151.2-58.8170.5-171.2171.90123.1
165K39.4Very low41Very low197 Ų197142.8 Ų142.886%0.85780%0.803SS**  cis-176.1141.2-28.4-101-172.9176.5-1750110.3
166A40.8Very low41.1Very low96 Ų96147.5 Ų147.579%0.79380%0.804SS**  trans-159.4127.6144.800000106.7
167K37.2Very low41.2Very low203 Ų203148.4 Ų148.488%0.88380%0.802SS**  cis79.2120.247.2-163.9-169.2179.1-170.70112.5
168V39.8Very low40.5Very low129 Ų129152.6 Ų152.678%0.78281%0.81SS**  cis-168.1147.9-28.8117.60000108.4
169A39.6Very low40.3Very low99 Ų99153.1 Ų153.182%0.81881%0.812SS**  trans-147.5160156.500000109.3
170K46.7Very low39.8Very low190 Ų190152.7 Ų152.783%0.82682%0.818SS**  trans-147.4164.8-167.3-110.2-168172.8-174.40110.3
171P51.9Low39.7Very low123 Ų123152 Ų15280%0.79982%0.815SS**  cis-100.1-110.228.234.4-23.6000116.8
172A35.9Very low39.6Very low90 Ų90147.6 Ų147.674%0.74481%0.814SS**  cis-147.4177.711.200000112.6
173R34.8Very low39.6Very low250 Ų250146.5 Ų146.594%0.94382%0.818SS**  trans-96.4146170.5-92.7172.5158.1-166.1-4.3109.1
174A36.2Very low39.8Very low95 Ų95151.1 Ų151.179%0.78583%0.829SS**  cis-151.3-154.1-5.600000106.9
175A39.3Very low39.9Very low91 Ų91148.5 Ų148.575%0.75283%0.83SS**  cis-151.5162.1-4.400000109.1
176K40.4Very low39.9Very low203 Ų203148.4 Ų148.488%0.88383%0.829SS**  trans-152.1152.8171.9-66.9-169.1176.4176.70109.7
177P44.8Very low40.2Very low113 Ų113150 Ų15073%0.73483%0.831SS**  -145.8156.591.937-20.5000117.3
178K36.5Very low40.3Very low193 Ų193150.4 Ų150.484%0.83983%0.833SS**  trans35.2117.3140.9-55166.8-173.1174.10118.4
179K40Very low40.5Very low209 Ų209149.2 Ų149.291%0.90984%0.837SS**  64100.865-171.2-162.4175-171.30114.3
180A38.2Very low40.6Very low106 Ų106149.5 Ų149.588%0.87684%0.839SS**  trans-137.7167155.900000109.8
181K37.4Very low40.4Very low205 Ų205144.5 Ų144.589%0.89183%0.833SS**  trans-147.3142.8-173.8-175.1-171.6177.8-1680110.6
182A37.6Very low39.8Very low97 Ų97148.7 Ų148.780%0.80284%0.839SS**  trans70.5120.7168.800000118.3
183A37.8Very low39.8Very low96 Ų96154.1 Ų154.179%0.79385%0.845SS**  -167.1146.6127.100000109.4
184K43Very low40.1Very low210 Ų210145.5 Ų145.591%0.91383%0.828SS**  trans-114.5131.4162.9-78.7-173.5176.9-176.70108.4
185P41.2Very low40.5Very low123 Ų123147.5 Ų147.580%0.79983%0.83SS**  trans-108.3170.4147.1-8.428.5000112.4
186K39.2Very low40.8Very low196 Ų196152.7 Ų152.785%0.85284%0.836SS**PPolyproline II helixtrans-95.2147179.6-49.9166-174.5173.40110
187P46.3Very low41Very low128 Ų128153 Ų15383%0.83184%0.837SS**PPolyproline II helixtrans-68.5138.1153.830.4-31.5000109.7
188K40.2Very low40.7Very low213 Ų213160.8 Ų160.893%0.92686%0.86SS**PPolyproline II helixtrans-76.1156.7169.9-86.4-175.7174.7-179.40110.4
189A42.8Very low40.9Very low104 Ų104159.2 Ų159.286%0.8686%0.861SS**  trans-105.7133.2173.400000111.7
190A42.2Very low40.9Very low104 Ų104156.6 Ų156.686%0.8686%0.858SS**  trans-167.7157.5160.400000109.2
191A41.9Very low41.1Very low85 Ų85159.4 Ų159.470%0.70286%0.857SS**  -174.2144.7-7500000109
192K39.4Very low41.3Very low211 Ų211156.7 Ų156.792%0.91786%0.855SS**  trans69.3152.9-175.9-45.4167.2-175.1176.90111.6
193K36.8Very low41.5Very low204 Ų204160.4 Ų160.489%0.88786%0.859SS**  cis-151167.5-1.2-130.3-170.7178-178.40105
194A40.9Very low41.8Very low70 Ų70164.7 Ų164.758%0.57986%0.863SS**  cis-160179.5-0.700000109.9
195T44.6Very low41.7Very low136 Ų136161.5 Ų161.583%0.83486%0.86SS**  trans71.3148173.780.10000115.8
196K45.4Very low41.7Very low200 Ų200164.5 Ų164.587%0.8786%0.864SS**  cis-141.5155.17.2-137.5164.9-171.61750109.7
197K44.9Very low41.9Very low210 Ų210161.8 Ų161.891%0.91387%0.865SS**  trans-64143.4175.1-79.4-175.1174-177.40111.9
198K37.6Very low41.5Very low277 Ų277164.9 Ų164.9100%1.20487%0.868SS**  -147.30115.4-160.5174.4-177.7-176.90109.4

Retrieved 198 of 198 residues in 891.7 ms (Link to these results)