A0A060Y9Q4_ONCMY Loading...

Fibulin-7-like

AlphaFold DB , UniProt , Accession A0A060Y9Q4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 447 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
1M47.8Very low52.1Low200 Ų200123.8 Ų123.899%0.98562%0.62SS**  0-41.60-75175.980.100113.2W3 M4 H5M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.46Å; M1-M4 PolarHBondContact O-N 3Å; M1-H5 PolarHBondContact O-CD2 3.03Å
2I43.8Very low52.5Low149 Ų149120.8 Ų120.876%0.76462%0.617SS**Hα-helixtrans-61.2-35.9179.3-60.5166.9000113.2M4 H5 A6I2-M4 PolarHBondContact O-N 3.43Å; I2-H5 PolarHBondContact O-N 3.25Å; I2-A6 PolarHBondContact O-N 2.76Å
3W42.7Very low52.7Low185 Ų185117.8 Ų117.870%0.70160%0.603SS**Hα-helixtrans-67-33.1177.3-105.957.1000114.4M1 A6 V7 V37M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.46Å; W3-A6 PolarHBondContact O-N 2.92Å; W3-V7 WeakPolarHBondContact O-CG2 3.44Å; W3-V7 PolarHBondContact O-N 2.89Å; W3-V37 HydrophobicContact CH2-CG1 4.45Å
4M46.6Very low52.8Low136 Ų136112.5 Ų112.567%0.6758%0.581SS**Hα-helixtrans-71.1-36.4178.2-119.3-152.912800111.4M1 I2 V7 I8M1-M4 PolarHBondContact O-N 3Å; I2-M4 PolarHBondContact O-N 3.43Å; M4-V7 PolarHBondContact O-N 3.31Å; M4-I8 HydrophobicContact CE-CD1 4.47Å; M4-I8 WeakPolarHBondContact O-CD1 3.48Å; M4-I8 VanDerWaalsContact O-CG1 3.28Å; M4-I8 WeakPolarHBondContact O-CG1 3.29Å; M4-I8 PolarHBondContact O-N 2.9Å; M4-I8 VanDerWaalsContact O-N 3.17Å
5H51.7Low52.9Low124 Ų124111.7 Ų111.757%0.57459%0.586SS**Hα-helixtrans-66.8-38.2173.9-73.3-60.8000112.3M1 I2 V7 I8 V9M1-H5 PolarHBondContact O-CD2 3.03Å; I2-H5 PolarHBondContact O-N 3.25Å; H5-V7 PolarHBondContact O-N 2.94Å; H5-I8 PolarHBondContact O-N 2.92Å; H5-V9 WeakPolarHBondContact O-CB 3.43Å; H5-V9 WeakPolarHBondContact O-CG2 3.42Å; H5-V9 PolarHBondContact O-N 3.49Å
6A52.8Low53Low55 Ų55112.3 Ų112.346%0.45559%0.588SS.*Hα-helixtrans-64.2-39.1176.500000112.9I2 W3 F10I2-A6 PolarHBondContact O-N 2.76Å; W3-A6 PolarHBondContact O-N 2.92Å; A6-F10 PolarHBondContact O-N 3.44Å
7V58.5Low52.8Low67 Ų67111.8 Ų111.841%0.40659%0.585SS.*Hα-helixtrans-70.7-38.1178.9173.70000112W3 M4 H5 F10 L11W3-V7 WeakPolarHBondContact O-CG2 3.44Å; W3-V7 PolarHBondContact O-N 2.89Å; M4-V7 PolarHBondContact O-N 3.31Å; H5-V7 PolarHBondContact O-N 2.94Å; V7-F10 PolarHBondContact O-N 3.38Å; V7-L11 HydrophobicContact CG1-CD1 3.98Å; V7-L11 WeakPolarHBondContact O-CB 3.46Å; V7-L11 WeakPolarHBondContact O-CG 3.2Å; V7-L11 PolarHBondContact O-N 3.38Å
8I57.9Low52.5Low84 Ų84109.9 Ų109.943%0.43159%0.588SS.*Hα-helixtrans-68.1-40.4176.3-66.7166.4000110.7M4 H5 F10 L11 C12M4-I8 HydrophobicContact CE-CD1 4.47Å; M4-I8 WeakPolarHBondContact O-CD1 3.48Å; M4-I8 VanDerWaalsContact O-CG1 3.28Å; M4-I8 WeakPolarHBondContact O-CG1 3.29Å; M4-I8 PolarHBondContact O-N 2.9Å; M4-I8 VanDerWaalsContact O-N 3.17Å; H5-I8 PolarHBondContact O-N 2.92Å; I8-F10 VanDerWaalsContact C-N 3.34Å; I8-F10 PolarHBondContact O-N 2.94Å; I8-L11 PolarHBondContact O-N 3.32Å; I8-C12 WeakPolarHBondContact O-CB 3.31Å; I8-C12 PolarHBondContact O-N 2.96Å
9V58.5Low52.5Low86 Ų86108.5 Ų108.552%0.52159%0.594SS.*Hα-helixtrans-63.2-40.5174.9170.20000111.1H5 C12 L13H5-V9 WeakPolarHBondContact O-CB 3.43Å; H5-V9 WeakPolarHBondContact O-CG2 3.42Å; H5-V9 PolarHBondContact O-N 3.49Å; V9-C12 PolarHBondContact O-N 3.25Å; V9-L13 HydrophobicContact CG1-CD1 3.64Å; V9-L13 WeakPolarHBondContact O-CB 3.3Å; V9-L13 WeakPolarHBondContact O-CD1 3.42Å; V9-L13 WeakPolarHBondContact O-CG 3.46Å; V9-L13 PolarHBondContact O-N 3.5Å
10F56.1Low52.4Low159 Ų159111.9 Ų111.970%0.69760%0.603SS**Hα-helixtrans-66.5-38.3175.9-125.4-90000113.1A6 V7 I8 L13 C14A6-F10 PolarHBondContact O-N 3.44Å; V7-F10 PolarHBondContact O-N 3.38Å; I8-F10 VanDerWaalsContact C-N 3.34Å; I8-F10 PolarHBondContact O-N 2.94Å; F10-L13 PolarHBondContact O-N 3.41Å; F10-C14 PolarHBondContact O-N 3.44Å
11L56.8Low52.3Low117 Ų117110.2 Ų110.261%0.61361%0.612SS**Hα-helixtrans-69.2-32.7175.9-78.7162.2000112.7V7 I8V7-L11 HydrophobicContact CG1-CD1 3.98Å; V7-L11 WeakPolarHBondContact O-CB 3.46Å; V7-L11 WeakPolarHBondContact O-CG 3.2Å; V7-L11 PolarHBondContact O-N 3.38Å; I8-L11 PolarHBondContact O-N 3.32Å
12C57.1Low52.4Low87 Ų87108.5 Ų108.559%0.58860%0.601SS**Hα-helixtrans-77.5-17.1175.4-75.90000113.9I8 V9 P15I8-C12 WeakPolarHBondContact O-CB 3.31Å; I8-C12 PolarHBondContact O-N 2.96Å; V9-C12 PolarHBondContact O-N 3.25Å; C12-P15 WeakPolarHBondContact O-CD 3.47Å
13L54.6Low52.7Low82 Ų82109.3 Ų109.343%0.42961%0.607SS.*Hα-helixtrans-95.1-21.5-177.4-80.8159.4000115.1V9 F10 P15 I16 L17V9-L13 HydrophobicContact CG1-CD1 3.64Å; V9-L13 WeakPolarHBondContact O-CB 3.3Å; V9-L13 WeakPolarHBondContact O-CD1 3.42Å; V9-L13 WeakPolarHBondContact O-CG 3.46Å; V9-L13 PolarHBondContact O-N 3.5Å; F10-L13 PolarHBondContact O-N 3.41Å; L13-P15 VanDerWaalsContact C-CD 3.44Å; L13-I16 HydrophobicContact CD2-CD1 4.42Å; L13-I16 PolarHBondContact O-N 3.06Å; L13-I16 VanDerWaalsContact O-N 3.15Å; L13-L17 PolarHBondContact O-N 3.49Å
14C54.1Low53.2Low44 Ų44103.6 Ų103.630%0.29760%0.595SS.*Hα-helixtrans-60.8-33175.4-109.10000114.5F10 I16 L17 A18 C24F10-C14 PolarHBondContact O-N 3.44Å; C14-I16 PolarHBondContact O-N 2.85Å; C14-L17 PolarHBondContact O-N 3.28Å; C14-A18 PolarHBondContact O-N 2.89Å; C14-C24 WeakPolarHBondContact CB-SG 3.49Å; C14-C24 WeakPolarHBondContact SG-CB 3.45Å; C14-C24 CovalentContact SG-SG 2.12Å; C14-C24 PolarHBondContact SG-SG 2.82Å
15P54.8Low53.8Low101 Ų101100.8 Ų100.866%0.65659%0.587SS**Hα-helixtrans-69.5-15.7176.826.1-33000113.4C12 L13C12-P15 WeakPolarHBondContact O-CD 3.47Å; L13-P15 VanDerWaalsContact C-CD 3.44Å
16I54.6Low54.7Low121 Ų12197.3 Ų97.362%0.62158%0.576SS**Hα-helixtrans-89.2-25.8177.7-54.9177.8000111.1L13 C14L13-I16 HydrophobicContact CD2-CD1 4.42Å; L13-I16 PolarHBondContact O-N 3.06Å; L13-I16 VanDerWaalsContact O-N 3.15Å; C14-I16 PolarHBondContact O-N 2.85Å
17L49.5Very low55.3Low103 Ų103104.2 Ų104.254%0.53959%0.591SS.*Hα-helixtrans-87.3-10.1-178.2-83.1156.2000114.8L13 C14 A19 F20L13-L17 PolarHBondContact O-N 3.49Å; C14-L17 PolarHBondContact O-N 3.28Å; L17-A19 PolarHBondContact O-N 2.87Å; L17-F20 PolarHBondContact O-N 3.15Å
18A48Very low55.6Low78 Ų78108.2 Ų108.265%0.64561%0.605SS**G310 helixtrans-66.4-13.1174.200000113.7C14 F20C14-A18 PolarHBondContact O-N 2.89Å; A18-F20 VanDerWaalsContact C-N 3.32Å; A18-F20 PolarHBondContact O-N 3.47Å
19A52Low56Low84 Ų84108.2 Ų108.269%0.69461%0.606SS**G310 helixtrans-77.7-10.6176.600000114.2L17L17-A19 PolarHBondContact O-N 2.87Å
20F49.4Very low56.1Low175 Ų175108.3 Ų108.377%0.76860%0.601SS**G310 helixtrans-118.321.8-174.9-80.6-79.3000114.9L17 A18 Q22L17-F20 PolarHBondContact O-N 3.15Å; A18-F20 VanDerWaalsContact C-N 3.32Å; A18-F20 PolarHBondContact O-N 3.47Å; F20-Q22 PolarHBondContact O-N 3.38Å
21G52.1Low56.8Low77 Ų77105.8 Ų105.879%0.79459%0.592SS**THydrogen-bonded Turntrans64.638.7163.700000115.6
22Q50Low57.4Low164 Ų164103 Ų10377%0.76658%0.582SS**  trans-125.1124.7177.4-147.6149.3-15.800110.2F20 C24F20-Q22 PolarHBondContact O-N 3.38Å; Q22-C24 PolarHBondContact O-N 2.93Å
23D48.8Very low58Low167 Ų167101.8 Ų101.889%0.89358%0.575SS**  trans-60.3114.5-176.5-75.7-45.7000111.5
24C54.5Low58.8Low65 Ų65102.2 Ų102.244%0.43958%0.577SS.*PPolyproline II helixtrans-69.9129.7168.9-80.80000107.8C14 Q22C14-C24 WeakPolarHBondContact CB-SG 3.49Å; C14-C24 WeakPolarHBondContact SG-CB 3.45Å; C14-C24 CovalentContact SG-SG 2.12Å; C14-C24 PolarHBondContact SG-SG 2.82Å; Q22-C24 PolarHBondContact O-N 2.93Å
25P59.2Low60Low77 Ų77107.4 Ų107.450%0.560%0.595SS.*PPolyproline II helixtrans-61.8142.917923.6-32.2000111.1D29 M30P25-D29 HydrophobicContact CB-CB 4.25Å; P25-M30 HydrophobicContact CG-CG 4.32Å
26S70.4Confident61.2Low50 Ų50108.5 Ų108.535%0.3559%0.591SS.*PPolyproline II helixtrans-62.6153.9-175.980.80000110.9Q28 D29 M30S26-Q28 PolarHBondContact O-N 2.72Å; S26-Q28 PolarHBondContact OG-N 3.18Å; S26-D29 VanDerWaalsContact CB-OD2 3.29Å; S26-D29 WeakPolarHBondContact CB-OD2 3.33Å; S26-D29 PolarHBondContact N-OD2 2.81Å; S26-D29 WeakPolarHBondContact O-CB 3.36Å; S26-D29 PolarHBondContact O-N 3.49Å; S26-D29 PolarHBondContact OG-N 3.39Å; S26-D29 PolarHBondContact OG-OD2 2.97Å; S26-M30 PolarHBondContact O-N 2.98Å; S26-M30 VanDerWaalsContact O-N 3.09Å
27R65.3Low62Low201 Ų201106.2 Ų106.276%0.75858%0.582SS**Hα-helixtrans-54.6-28.7176-172.9176.1176.5167.2-0.3112Q31R27-Q31 WeakPolarHBondContact O-CG 3.41Å; R27-Q31 PolarHBondContact O-N 2.88Å
28Q64.9Low63.4Low151 Ų151107.6 Ų107.671%0.70659%0.586SS**Hα-helixtrans-72.6-37.8175.5-70.9-179.8-19.500112.2S26 Q31 S32S26-Q28 PolarHBondContact O-N 2.72Å; S26-Q28 PolarHBondContact OG-N 3.18Å; Q28-Q31 PolarHBondContact O-N 2.96Å; Q28-S32 PolarHBondContact O-N 2.93Å; Q28-S32 PolarHBondContact O-OG 3.42Å
29D64.5Low65.1Low83 Ų83111 Ų11144%0.44459%0.586SS.*Hα-helixtrans-69.7-36.4177.7-60.2-43.7000112.6P25 S26 S32 S33P25-D29 HydrophobicContact CB-CB 4.25Å; S26-D29 VanDerWaalsContact CB-OD2 3.29Å; S26-D29 WeakPolarHBondContact CB-OD2 3.33Å; S26-D29 PolarHBondContact N-OD2 2.81Å; S26-D29 WeakPolarHBondContact O-CB 3.36Å; S26-D29 PolarHBondContact O-N 3.49Å; S26-D29 PolarHBondContact OG-N 3.39Å; S26-D29 PolarHBondContact OG-OD2 2.97Å; D29-S32 WeakPolarHBondContact CA-OG 3.47Å; D29-S32 PolarHBondContact O-OG 3.33Å; D29-S33 VanDerWaalsContact O-CB 3.31Å; D29-S33 WeakPolarHBondContact O-CB 3.47Å; D29-S33 PolarHBondContact O-N 3.44Å; D29-S33 PolarHBondContact O-OG 2.86Å
30M61.6Low66.5Low88 Ų88112.2 Ų112.243%0.43358%0.581SS.*Hα-helixtrans-67.3-39.9171.9-80.4-167.3-86.900111.5P25 S26 S33 L34P25-M30 HydrophobicContact CG-CG 4.32Å; S26-M30 PolarHBondContact O-N 2.98Å; S26-M30 VanDerWaalsContact O-N 3.09Å; M30-S33 PolarHBondContact O-N 3.35Å; M30-L34 WeakPolarHBondContact O-CB 3.44Å; M30-L34 PolarHBondContact O-N 3.48Å
31Q70.3Confident67.7Low106 Ų106109.7 Ų109.750%0.49558%0.575SS.*Hα-helixtrans-68.1-37.3177.4-78.5-177-22.100112.9R27 Q28 K35R27-Q31 WeakPolarHBondContact O-CG 3.41Å; R27-Q31 PolarHBondContact O-N 2.88Å; Q28-Q31 PolarHBondContact O-N 2.96Å; Q31-K35 WeakPolarHBondContact O-CG 3.34Å; Q31-K35 PolarHBondContact O-N 2.95Å
32S68.9Low69.2Low59 Ų59109.1 Ų109.141%0.41356%0.558SS.*Hα-helixtrans-67.1-43.7175.266.20000111Q28 D29 L34 K35 Q36Q28-S32 PolarHBondContact O-N 2.93Å; Q28-S32 PolarHBondContact O-OG 3.42Å; D29-S32 WeakPolarHBondContact CA-OG 3.47Å; D29-S32 PolarHBondContact O-OG 3.33Å; S32-L34 PolarHBondContact O-N 2.96Å; S32-K35 PolarHBondContact O-N 3.29Å; S32-Q36 WeakPolarHBondContact O-CB 3.39Å; S32-Q36 PolarHBondContact O-N 2.98Å
33S70.6Confident70.8Confident62 Ų62105 Ų10543%0.43454%0.544SS..Hα-helixtrans-61.3-42.1175.7-60.70000112.1D29 M30 Q36 V37D29-S33 VanDerWaalsContact O-CB 3.31Å; D29-S33 WeakPolarHBondContact O-CB 3.47Å; D29-S33 PolarHBondContact O-N 3.44Å; D29-S33 PolarHBondContact O-OG 2.86Å; M30-S33 PolarHBondContact O-N 3.35Å; S33-Q36 WeakPolarHBondContact O-CB 3.29Å; S33-Q36 PolarHBondContact O-N 2.91Å; S33-V37 WeakPolarHBondContact O-CG2 3.44Å; S33-V37 PolarHBondContact O-N 2.86Å
34L71.7Confident72.3Confident91 Ų91103.4 Ų103.448%0.47653%0.531SS..Hα-helixtrans-68.4-39.1179.5-144.6149.8000111.4M30 S32 Q36 V37 Q38M30-L34 WeakPolarHBondContact O-CB 3.44Å; M30-L34 PolarHBondContact O-N 3.48Å; S32-L34 PolarHBondContact O-N 2.96Å; L34-Q36 VanDerWaalsContact C-N 3.31Å; L34-Q36 PolarHBondContact O-N 3.33Å; L34-V37 PolarHBondContact O-N 2.83Å; L34-Q38 VanDerWaalsContact O-CB 3.32Å; L34-Q38 WeakPolarHBondContact O-CB 3.43Å; L34-Q38 PolarHBondContact O-N 2.86Å
35K79.3Confident73.8Confident153 Ų153106 Ų10667%0.66554%0.537SS*.Hα-helixtrans-61.9-38.8170.4-75.5176.8179.9179.10111.9Q31 S32 Q38 K39Q31-K35 WeakPolarHBondContact O-CG 3.34Å; Q31-K35 PolarHBondContact O-N 2.95Å; S32-K35 PolarHBondContact O-N 3.29Å; K35-Q38 PolarHBondContact O-N 2.88Å; K35-K39 WeakPolarHBondContact O-CB 3.29Å; K35-K39 PolarHBondContact O-N 3.35Å
36Q78.7Confident75Confident124 Ų124104.9 Ų104.958%0.57953%0.534SS*.Hα-helixtrans-68.9-41.8178.7-166.8170.3-200111.9S32 S33 L34 K39 L40S32-Q36 WeakPolarHBondContact O-CB 3.39Å; S32-Q36 PolarHBondContact O-N 2.98Å; S33-Q36 WeakPolarHBondContact O-CB 3.29Å; S33-Q36 PolarHBondContact O-N 2.91Å; L34-Q36 VanDerWaalsContact C-N 3.31Å; L34-Q36 PolarHBondContact O-N 3.33Å; Q36-K39 PolarHBondContact O-N 3.47Å; Q36-L40 PolarHBondContact O-N 2.91Å
37V72.8Confident75.6Confident72 Ų72105.2 Ų105.244%0.43654%0.54SS..Hα-helixtrans-64.4-42.8173.9171.90000111.1W3 S33 L34 K39 L40 L41W3-V37 HydrophobicContact CH2-CG1 4.45Å; S33-V37 WeakPolarHBondContact O-CG2 3.44Å; S33-V37 PolarHBondContact O-N 2.86Å; L34-V37 PolarHBondContact O-N 2.83Å; V37-K39 VanDerWaalsContact C-N 3.31Å; V37-K39 PolarHBondContact O-N 3.23Å; V37-L40 WeakPolarHBondContact O-CB 3.3Å; V37-L40 PolarHBondContact O-N 2.71Å; V37-L41 WeakPolarHBondContact O-CB 3.43Å; V37-L41 PolarHBondContact O-N 3.15Å
38Q78.4Confident76.1Confident132 Ų132102 Ų10262%0.61753%0.528SS*.Hα-helixtrans-66.4-34.6178.2-164.7161.6-1.600112.1L34 K35 S42L34-Q38 VanDerWaalsContact O-CB 3.32Å; L34-Q38 WeakPolarHBondContact O-CB 3.43Å; L34-Q38 PolarHBondContact O-N 2.86Å; K35-Q38 PolarHBondContact O-N 2.88Å; Q38-S42 WeakPolarHBondContact O-CB 3.46Å; Q38-S42 PolarHBondContact O-N 2.84Å; Q38-S42 PolarHBondContact O-OG 3.18Å
39K84.8Confident77.1Confident150 Ų15098.4 Ų98.465%0.65251%0.514SS*.Hα-helixtrans-65.3-44.5170.3-171172.6-178.5178.90111.7K35 Q36 V37 S42 T43K35-K39 WeakPolarHBondContact O-CB 3.29Å; K35-K39 PolarHBondContact O-N 3.35Å; Q36-K39 PolarHBondContact O-N 3.47Å; V37-K39 VanDerWaalsContact C-N 3.31Å; V37-K39 PolarHBondContact O-N 3.23Å; K39-S42 WeakPolarHBondContact CA-OG 3.47Å; K39-S42 PolarHBondContact O-N 2.92Å; K39-S42 PolarHBondContact O-OG 3.43Å; K39-T43 VanDerWaalsContact O-CG2 3.29Å; K39-T43 WeakPolarHBondContact O-CG2 3.49Å; K39-T43 PolarHBondContact O-N 2.95Å; K39-T43 PolarHBondContact O-OG1 3.49Å
40L79.5Confident78.2Confident110 Ų110100.5 Ų100.558%0.57652%0.521SS*.Hα-helixtrans-61.6-44.9175.9-104.6146.8000112.2Q36 V37 T43 H44Q36-L40 PolarHBondContact O-N 2.91Å; V37-L40 WeakPolarHBondContact O-CB 3.3Å; V37-L40 PolarHBondContact O-N 2.71Å; L40-T43 WeakPolarHBondContact CA-OG1 3.32Å; L40-T43 PolarHBondContact O-N 3.37Å; L40-T43 PolarHBondContact O-OG1 2.92Å; L40-H44 WeakPolarHBondContact O-CB 3.36Å; L40-H44 PolarHBondContact O-N 2.87Å
41L75.8Confident79.1Confident122 Ų12299.3 Ų99.364%0.63952%0.521SS*.Hα-helixtrans-64.9-44.5-179.4-148.579.1000111.5V37 T43 H44 E45V37-L41 WeakPolarHBondContact O-CB 3.43Å; V37-L41 PolarHBondContact O-N 3.15Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 3.5Å; L41-H44 PolarHBondContact O-N 3.04Å; L41-E45 WeakPolarHBondContact O-CB 3.33Å; L41-E45 PolarHBondContact O-N 3.06Å
42S84.1Confident79.6Confident65 Ų6597.8 Ų97.846%0.45552%0.516SS..Hα-helixtrans-64.9-36.2175.8540000112.5Q38 K39 A46Q38-S42 WeakPolarHBondContact O-CB 3.46Å; Q38-S42 PolarHBondContact O-N 2.84Å; Q38-S42 PolarHBondContact O-OG 3.18Å; K39-S42 WeakPolarHBondContact CA-OG 3.47Å; K39-S42 PolarHBondContact O-N 2.92Å; K39-S42 PolarHBondContact O-OG 3.43Å; S42-A46 WeakPolarHBondContact O-CB 3.34Å; S42-A46 PolarHBondContact O-N 3.47Å
43T81.8Confident80.3Confident76 Ų76103 Ų10347%0.46653%0.527SS..Hα-helixtrans-67.4-37.717355.60000112.8K39 L40 L41 A46 A47K39-T43 VanDerWaalsContact O-CG2 3.29Å; K39-T43 WeakPolarHBondContact O-CG2 3.49Å; K39-T43 PolarHBondContact O-N 2.95Å; K39-T43 PolarHBondContact O-OG1 3.49Å; L40-T43 WeakPolarHBondContact CA-OG1 3.32Å; L40-T43 PolarHBondContact O-N 3.37Å; L40-T43 PolarHBondContact O-OG1 2.92Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 3.5Å; T43-A46 PolarHBondContact O-N 3.18Å; T43-A47 WeakPolarHBondContact O-CB 3.36Å; T43-A47 PolarHBondContact O-N 2.91Å
44H81.8Confident81Confident134 Ų134103.4 Ų103.462%0.6253%0.527SS*.Hα-helixtrans-69.5-40.8177.1-173.2-89.6000111.6L40 L41 A47 Y48L40-H44 WeakPolarHBondContact O-CB 3.36Å; L40-H44 PolarHBondContact O-N 2.87Å; L41-H44 PolarHBondContact O-N 3.04Å; H44-A47 PolarHBondContact O-N 3.43Å; H44-Y48 VanDerWaalsContact O-CB 3.3Å; H44-Y48 WeakPolarHBondContact O-CB 3.43Å; H44-Y48 PolarHBondContact O-N 3.4Å
45E85.1Confident81.1Confident120 Ų120103.9 Ų103.956%0.56153%0.529SS*.Hα-helixtrans-62.8-43.4174.2-171176.2-175.600111.4L41 Y48 L49L41-E45 WeakPolarHBondContact O-CB 3.33Å; L41-E45 PolarHBondContact O-N 3.06Å; E45-Y48 PolarHBondContact O-N 3.31Å; E45-L49 HydrophobicContact CG-CD1 4.26Å; E45-L49 WeakPolarHBondContact O-CB 3.45Å; E45-L49 WeakPolarHBondContact O-CG 3.28Å; E45-L49 PolarHBondContact O-N 2.9Å
46A85Confident81.2Confident53 Ų53105.2 Ų105.244%0.43853%0.53SS..Hα-helixtrans-62-43.9174.700000112.2S42 T43 L49 Q50S42-A46 WeakPolarHBondContact O-CB 3.34Å; S42-A46 PolarHBondContact O-N 3.47Å; T43-A46 PolarHBondContact O-N 3.18Å; A46-L49 PolarHBondContact O-N 2.91Å; A46-Q50 VanDerWaalsContact O-CB 3.29Å; A46-Q50 WeakPolarHBondContact O-CB 3.47Å; A46-Q50 PolarHBondContact O-N 3.3Å
47A82.2Confident81.2Confident57 Ų57107 Ų10747%0.47154%0.536SS..Hα-helixtrans-64.1-40.3176.500000112.1T43 H44 Q50 S51T43-A47 WeakPolarHBondContact O-CB 3.36Å; T43-A47 PolarHBondContact O-N 2.91Å; H44-A47 PolarHBondContact O-N 3.43Å; A47-Q50 PolarHBondContact O-N 2.78Å; A47-S51 PolarHBondContact O-N 3.06Å
48Y76.4Confident81.4Confident133 Ų133110 Ų11052%0.52254%0.543SS..Hα-helixtrans-67.2-42.3176.5-177.7-102.5000112.4H44 E45 Q50 S51 L52H44-Y48 VanDerWaalsContact O-CB 3.3Å; H44-Y48 WeakPolarHBondContact O-CB 3.43Å; H44-Y48 PolarHBondContact O-N 3.4Å; E45-Y48 PolarHBondContact O-N 3.31Å; Y48-Q50 VanDerWaalsContact C-N 3.28Å; Y48-Q50 PolarHBondContact O-N 3.3Å; Y48-S51 PolarHBondContact O-N 2.92Å; Y48-S51 PolarHBondContact O-OG 3.26Å; Y48-L52 HydrophobicContact CD1-CD1 3.88Å; Y48-L52 HydrophobicContact CE1-CD1 3.38Å; Y48-L52 HydrophobicContact CE1-CG 4.25Å; Y48-L52 PolarHBondContact O-N 3.16Å
49L85.4Confident81.1Confident77 Ų77108.1 Ų108.140%0.40354%0.537SS..Hα-helixtrans-65.8-34173.9-72173.2000111.7E45 A46 R53E45-L49 HydrophobicContact CG-CD1 4.26Å; E45-L49 WeakPolarHBondContact O-CB 3.45Å; E45-L49 WeakPolarHBondContact O-CG 3.28Å; E45-L49 PolarHBondContact O-N 2.9Å; A46-L49 PolarHBondContact O-N 2.91Å; L49-R53 VanDerWaalsContact O-CG 3.3Å; L49-R53 WeakPolarHBondContact O-CG 3.35Å; L49-R53 PolarHBondContact O-N 3.45Å
50Q87.6Confident80.5Confident127 Ų127104.7 Ų104.759%0.59353%0.525SS*.Hα-helixtrans-71.2-37.8175.7-171.4160.1-12.900112.4A46 A47 Y48 R53 T54A46-Q50 VanDerWaalsContact O-CB 3.29Å; A46-Q50 WeakPolarHBondContact O-CB 3.47Å; A46-Q50 PolarHBondContact O-N 3.3Å; A47-Q50 PolarHBondContact O-N 2.78Å; Y48-Q50 VanDerWaalsContact C-N 3.28Å; Y48-Q50 PolarHBondContact O-N 3.3Å; Q50-R53 PolarHBondContact O-N 2.94Å; Q50-T54 WeakPolarHBondContact O-CB 3.33Å; Q50-T54 PolarHBondContact O-N 2.78Å; Q50-T54 PolarHBondContact O-OG1 3.21Å
51S81.4Confident80.1Confident62 Ų62105.3 Ų105.343%0.43453%0.529SS..Hα-helixtrans-65.5-41.3173.172.30000111.2A47 Y48 R53 T54 L55A47-S51 PolarHBondContact O-N 3.06Å; Y48-S51 PolarHBondContact O-N 2.92Å; Y48-S51 PolarHBondContact O-OG 3.26Å; S51-R53 PolarHBondContact O-N 3.47Å; S51-T54 WeakPolarHBondContact O-CB 3.31Å; S51-T54 PolarHBondContact O-N 3.03Å; S51-L55 WeakPolarHBondContact O-CB 3.49Å; S51-L55 PolarHBondContact O-N 3.09Å
52L79.6Confident79.7Confident74 Ų74105.1 Ų105.139%0.38753%0.528SS..Hα-helixtrans-62-41.7173.2-81.1171.4000112.9Y48 T54 L55 R56Y48-L52 HydrophobicContact CD1-CD1 3.88Å; Y48-L52 HydrophobicContact CE1-CD1 3.38Å; Y48-L52 HydrophobicContact CE1-CG 4.25Å; Y48-L52 PolarHBondContact O-N 3.16Å; L52-T54 VanDerWaalsContact C-N 3.31Å; L52-T54 PolarHBondContact O-N 3.22Å; L52-L55 PolarHBondContact O-N 2.74Å; L52-R56 WeakPolarHBondContact O-CB 3.29Å; L52-R56 PolarHBondContact O-N 2.91Å
53R84.6Confident78.9Confident170 Ų170107.2 Ų107.264%0.64253%0.53SS*.Hα-helixtrans-62.9-39.3173.7-74175.5-163.1164.15.3111.6L49 Q50 S51 R56 K57L49-R53 VanDerWaalsContact O-CG 3.3Å; L49-R53 WeakPolarHBondContact O-CG 3.35Å; L49-R53 PolarHBondContact O-N 3.45Å; Q50-R53 PolarHBondContact O-N 2.94Å; S51-R53 PolarHBondContact O-N 3.47Å; R53-R56 PolarHBondContact O-N 3.05Å; R53-K57 WeakPolarHBondContact O-CG 3.38Å; R53-K57 PolarHBondContact O-N 2.61Å
54T84.6Confident77.9Confident70 Ų70108.9 Ų108.943%0.42954%0.536SS..Hα-helixtrans-67.6-42.2177.9-51.10000111Q50 S51 L52 K57 K58Q50-T54 WeakPolarHBondContact O-CB 3.33Å; Q50-T54 PolarHBondContact O-N 2.78Å; Q50-T54 PolarHBondContact O-OG1 3.21Å; S51-T54 WeakPolarHBondContact O-CB 3.31Å; S51-T54 PolarHBondContact O-N 3.03Å; L52-T54 VanDerWaalsContact C-N 3.31Å; L52-T54 PolarHBondContact O-N 3.22Å; T54-K57 PolarHBondContact O-N 3.15Å; T54-K58 PolarHBondContact O-N 3.45Å
55L74.3Confident76.8Confident101 Ų101106.2 Ų106.253%0.52953%0.53SS..Hα-helixtrans-63-45.1175.4-16778000111.1S51 L52 K57 K58 L59S51-L55 WeakPolarHBondContact O-CB 3.49Å; S51-L55 PolarHBondContact O-N 3.09Å; L52-L55 PolarHBondContact O-N 2.74Å; L55-K57 VanDerWaalsContact C-N 3.33Å; L55-K57 PolarHBondContact O-N 2.91Å; L55-K58 PolarHBondContact O-N 3.22Å; L55-K58 VanDerWaalsContact O-N 3.15Å; L55-L59 WeakPolarHBondContact O-CB 3.37Å; L55-L59 PolarHBondContact O-N 3.43Å
56R81Confident75.2Confident180 Ų180103.8 Ų103.868%0.67953%0.53SS*.Hα-helixtrans-62.2-39175.8-169.6173.7-178168.2-0.1112.1L52 R53 L59 N60L52-R56 WeakPolarHBondContact O-CB 3.29Å; L52-R56 PolarHBondContact O-N 2.91Å; R53-R56 PolarHBondContact O-N 3.05Å; R56-L59 PolarHBondContact O-N 3.45Å; R56-N60 WeakPolarHBondContact O-CB 3.46Å; R56-N60 PolarHBondContact O-N 3.25Å
57K79.9Confident73.5Confident162 Ų162106.1 Ų106.170%0.70454%0.539SS*.Hα-helixtrans-63.4-42.4172.1-79.6-175.8176.9-175.70111.9R53 T54 L55 N60 L61R53-K57 WeakPolarHBondContact O-CG 3.38Å; R53-K57 PolarHBondContact O-N 2.61Å; T54-K57 PolarHBondContact O-N 3.15Å; L55-K57 VanDerWaalsContact C-N 3.33Å; L55-K57 PolarHBondContact O-N 2.91Å; K57-N60 PolarHBondContact O-N 3.34Å; K57-L61 WeakPolarHBondContact O-CB 3.19Å; K57-L61 PolarHBondContact O-N 3.1Å
58K75.9Confident71.8Confident136 Ų136112.5 Ų112.559%0.59156%0.556SS**Hα-helixtrans-63.9-41.1174.6-75.1-174.9175.5-173.40112.1T54 L55 L61 L62T54-K58 PolarHBondContact O-N 3.45Å; L55-K58 PolarHBondContact O-N 3.22Å; L55-K58 VanDerWaalsContact O-N 3.15Å; K58-L61 WeakPolarHBondContact O-CB 3.46Å; K58-L61 PolarHBondContact O-N 3.44Å; K58-L62 WeakPolarHBondContact O-CB 3.28Å; K58-L62 VanDerWaalsContact O-CG 3.31Å; K58-L62 WeakPolarHBondContact O-CG 3.03Å; K58-L62 PolarHBondContact O-N 3.43Å
59L72.6Confident70.4Confident91 Ų91113.3 Ų113.348%0.47657%0.565SS.*Hα-helixtrans-62.1-44.8175.1-109.2158.5000112L55 R56 L61 L62 Q63L55-L59 WeakPolarHBondContact O-CB 3.37Å; L55-L59 PolarHBondContact O-N 3.43Å; R56-L59 PolarHBondContact O-N 3.45Å; L59-L61 VanDerWaalsContact C-N 3.33Å; L59-L61 PolarHBondContact O-N 2.82Å; L59-L62 PolarHBondContact O-N 3.17Å; L59-Q63 WeakPolarHBondContact O-CB 3.4Å; L59-Q63 WeakPolarHBondContact O-CG 3.02Å; L59-Q63 PolarHBondContact O-N 3.42Å
60N72.4Confident68.5Low78 Ų78116.3 Ų116.342%0.41759%0.586SS.*Hα-helixtrans-66.3-34.8174.8-74.9-11.8000112.1R56 K57 Q63 N64R56-N60 WeakPolarHBondContact O-CB 3.46Å; R56-N60 PolarHBondContact O-N 3.25Å; K57-N60 PolarHBondContact O-N 3.34Å; N60-Q63 PolarHBondContact O-N 3.3Å; N60-N64 VanDerWaalsContact O-CB 3.29Å; N60-N64 WeakPolarHBondContact O-CB 3.44Å; N60-N64 VanDerWaalsContact O-CG 3.31Å; N60-N64 PolarHBondContact O-N 3.21Å
61L71Confident66.7Low124 Ų124113.5 Ų113.565%0.64959%0.591SS**Hα-helixtrans-64.9-42.6174-150.784.7000110.8K57 K58 L59 N64 T65K57-L61 WeakPolarHBondContact O-CB 3.19Å; K57-L61 PolarHBondContact O-N 3.1Å; K58-L61 WeakPolarHBondContact O-CB 3.46Å; K58-L61 PolarHBondContact O-N 3.44Å; L59-L61 VanDerWaalsContact C-N 3.33Å; L59-L61 PolarHBondContact O-N 2.82Å; L61-N64 PolarHBondContact O-N 3.17Å; L61-T65 PolarHBondContact O-N 3.46Å; L61-T65 PolarHBondContact O-OG1 3.09Å
62L66.7Low64.8Low117 Ų117120 Ų12061%0.61361%0.612SS**Hα-helixtrans-65.4-40.7175.9-73.7167.3000112.4K58 L59 T65 A66K58-L62 WeakPolarHBondContact O-CB 3.28Å; K58-L62 VanDerWaalsContact O-CG 3.31Å; K58-L62 WeakPolarHBondContact O-CG 3.03Å; K58-L62 PolarHBondContact O-N 3.43Å; L59-L62 PolarHBondContact O-N 3.17Å; L62-T65 VanDerWaalsContact C-OG1 3.26Å; L62-T65 WeakPolarHBondContact CA-OG1 3.3Å; L62-T65 PolarHBondContact O-N 3.48Å; L62-T65 PolarHBondContact O-OG1 3.45Å; L62-A66 WeakPolarHBondContact O-CB 3.43Å; L62-A66 PolarHBondContact O-N 2.75Å
63Q68Low63.4Low110 Ų110121.4 Ų121.451%0.51463%0.634SS.*Hα-helixtrans-68.9-35.4175.2-76.6178.8-3500112.4L59 N60 A66 T67L59-Q63 WeakPolarHBondContact O-CB 3.4Å; L59-Q63 WeakPolarHBondContact O-CG 3.02Å; L59-Q63 PolarHBondContact O-N 3.42Å; N60-Q63 PolarHBondContact O-N 3.3Å; Q63-A66 PolarHBondContact O-N 3.49Å; Q63-T67 PolarHBondContact O-N 2.01Å; Q63-T67 PolarHBondContact O-OG1 2.9Å
64N60.7Low61.7Low110 Ų110120.2 Ų120.259%0.58864%0.641SS**Hα-helixtrans-73.4-28.8173.9-77.3-13.1000112.7N60 L61 T67 K68N60-N64 VanDerWaalsContact O-CB 3.29Å; N60-N64 WeakPolarHBondContact O-CB 3.44Å; N60-N64 VanDerWaalsContact O-CG 3.31Å; N60-N64 PolarHBondContact O-N 3.21Å; L61-N64 PolarHBondContact O-N 3.17Å; N64-T67 WeakPolarHBondContact CA-OG1 3.42Å; N64-T67 PolarHBondContact O-OG1 3.42Å; N64-K68 PolarHBondContact O-N 3.4Å
65T58.8Low60.8Low79 Ų79123.6 Ų123.649%0.48566%0.656SS.*Hα-helixtrans-72.2-32.7167.843.20000112.3L61 L62L61-T65 PolarHBondContact O-N 3.46Å; L61-T65 PolarHBondContact O-OG1 3.09Å; L62-T65 VanDerWaalsContact C-OG1 3.26Å; L62-T65 WeakPolarHBondContact CA-OG1 3.3Å; L62-T65 PolarHBondContact O-N 3.48Å; L62-T65 PolarHBondContact O-OG1 3.45Å
66A51.4Low60.6Low69 Ų69124.5 Ų124.557%0.5766%0.662SS**Hα-helixtrans-72.3-31.8176.800000113.2L62 Q63L62-A66 WeakPolarHBondContact O-CB 3.43Å; L62-A66 PolarHBondContact O-N 2.75Å; Q63-A66 PolarHBondContact O-N 3.49Å
67T48.8Very low60.5Low102 Ų102118.5 Ų118.563%0.62665%0.645SS**Hα-helixtrans-84.2-9.9178.245.20000114Q63 N64Q63-T67 PolarHBondContact O-N 2.01Å; Q63-T67 PolarHBondContact O-OG1 2.9Å; N64-T67 WeakPolarHBondContact CA-OG1 3.42Å; N64-T67 PolarHBondContact O-OG1 3.42Å
68K47.2Very low60.5Low190 Ų190110.8 Ų110.883%0.82661%0.612SS**THydrogen-bonded Turntrans-98.74.5176-131.1177.7-174.9-178.50114.7N64N64-K68 PolarHBondContact O-N 3.4Å
69Q47Very low60.9Low151 Ų151111 Ų11171%0.70662%0.618SS**  trans-117.759.8172.5-69.4-171.726.600111.6
70T45.9Very low61.3Low139 Ų139113.8 Ų113.885%0.85363%0.627SS**SBendtrans-107.975.3152.147.60000107.6
71G49.8Very low61.7Low68 Ų68110.9 Ų110.970%0.70161%0.611SS**SBendtrans153.661.6176.600000115.9
72K39.8Very low62.1Low198 Ų198111.1 Ų111.186%0.86161%0.613SS**  trans172.1124.8142-102.6171.2175.8178.30109.5N74K72-N74 PolarHBondContact O-N 2.99Å
73A50Low62.7Low104 Ų104109.2 Ų109.286%0.8661%0.606SS**  trans-61.9117.6172.400000109.8
74N50.6Low63.4Low146 Ų146105.1 Ų105.178%0.78159%0.589SS**  trans-136.4135.4162.5-100.9-10.7000108.3K72 D76K72-N74 PolarHBondContact O-N 2.99Å; N74-D76 PolarHBondContact O-N 3.16Å
75N65.9Low64.7Low141 Ų141103.6 Ų103.675%0.75459%0.592SS**  trans-61.197.6-168.2-79.5-29.1000113.9T77N75-T77 PolarHBondContact O-N 3.18Å
76D69.7Low66Low120 Ų120103.1 Ų103.164%0.64259%0.586SS**  trans-79.241.7166.2-70.7-29.2000112.6N74N74-D76 PolarHBondContact O-N 3.16Å
77T78.9Confident67.5Low53 Ų53100.5 Ų100.533%0.32556%0.564SS.*SBendtrans-131.2138.8-176.958.40000111.2N75 Q94 T95N75-T77 PolarHBondContact O-N 3.18Å; T77-Q94 CarbonylContact C-O 3.47Å; T77-Q94 VanDerWaalsContact CA-O 3.28Å; T77-Q94 WeakPolarHBondContact CA-O 3.47Å; T77-Q94 HydrophobicContact CG2-CB 4.25Å; T77-T95 HydrophobicContact CG2-CG2 4.33Å
78C79.6Confident69.1Low1 Ų1102.3 Ų102.31%0.00756%0.559CS.*  trans-54.5150.7169.2-75.10000111.4Q94 C118 W124C78-Q94 PolarHBondContact N-O 2.98Å; C78-Q94 PolarHBondContact O-OE1 3.49Å; C78-C118 HydrophobicContact CB-CB 3.86Å; C78-C118 WeakPolarHBondContact CB-SG 3.49Å; C78-C118 WeakPolarHBondContact SG-CA 3.38Å; C78-C118 WeakPolarHBondContact SG-CB 3.36Å; C78-C118 CovalentContact SG-SG 2.01Å; C78-C118 PolarHBondContact SG-SG 2.68Å; C78-W124 HydrophobicContact CB-CD2 4.45Å; C78-W124 HydrophobicContact CB-CZ2 3.99Å
79L83.4Confident70.8Confident139 Ų13996.6 Ų96.673%0.72854%0.535SS*.  trans-51140.4174.6-79.1145.4000111.2L81 W124L79-L81 PolarHBondContact O-N 3.02Å; L79-L81 VanDerWaalsContact O-N 3.09Å; L79-W124 PolarHBondContact O-NE1 2.84Å
80K80.8Confident72.2Confident151 Ų15194.1 Ų94.166%0.65753%0.526SS*.  trans-62.2115.8176.5-172.8-179176.2-171.30109.5D82K80-D82 PolarHBondContact O-N 2.93Å
81L80.7Confident73.1Confident17 Ų1789.4 Ų89.49%0.08950%0.504CS..PPolyproline II helixtrans-70.2127.8172.5-70.3179.1000109.8L79 K89 F102 R116 W124L79-L81 PolarHBondContact O-N 3.02Å; L79-L81 VanDerWaalsContact O-N 3.09Å; L81-K89 PolarHBondContact O-NZ 3.38Å; L81-F102 HydrophobicContact CB-CZ 4.37Å; L81-F102 HydrophobicContact CD1-CE2 4.18Å; L81-F102 HydrophobicContact CD1-CZ 3.7Å; L81-R116 HydrophobicContact CD1-CB 4.24Å; L81-R116 VanDerWaalsContact CD2-NH1 3.32Å; L81-W124 HydrophobicContact CD1-CD2 3.44Å; L81-W124 VanDerWaalsContact CD1-CD2 3.44Å; L81-W124 HydrophobicContact CD1-CE3 3.78Å; L81-W124 HydrophobicContact CD1-CG 3.77Å; L81-W124 HydrophobicContact CD1-CH2 4.32Å; L81-W124 HydrophobicContact CD1-CZ2 4Å; L81-W124 HydrophobicContact CD1-CZ3 4.21Å; L81-W124 HydrophobicContact CD2-CB 4.31Å; L81-W124 HydrophobicContact CD2-CD2 4.25Å; L81-W124 HydrophobicContact CD2-CG 3.74Å; L81-W124 HydrophobicContact CG-CD2 3.84Å; L81-W124 HydrophobicContact CG-CG 3.88Å; L81-W124 HydrophobicContact CG-CZ2 4.1Å
82D81.4Confident73.6Confident128 Ų12895.9 Ų95.968%0.68451%0.513SS*.PPolyproline II helixtrans-72.9148.7168.5-64-41.8000110.2K80 P84K80-D82 PolarHBondContact O-N 2.93Å; D82-P84 WeakPolarHBondContact O-CD 3.44Å
83T78.4Confident74.8Confident78 Ų7888.3 Ų88.348%0.47949%0.487SS..PPolyproline II helixtrans-79.8121.3172.740.80000108.6K89T83-K89 HydrophobicContact CG2-CB 4.1Å; T83-K89 HydrophobicContact CG2-CD 3.73Å; T83-K89 HydrophobicContact CG2-CG 3.64Å
84P82.8Confident75.8Confident24 Ų2486.3 Ų86.316%0.15646%0.46CS..PPolyproline II helixtrans-53.2153.6169.5-16.921.8000111.4D82 S87 F102 Q128 P129D82-P84 WeakPolarHBondContact O-CD 3.44Å; P84-S87 WeakPolarHBondContact CB-OG 3.21Å; P84-S87 WeakPolarHBondContact CD-OG 3.41Å; P84-S87 WeakPolarHBondContact CG-OG 3.35Å; P84-S87 WeakPolarHBondContact O-CB 3.2Å; P84-S87 PolarHBondContact O-N 3.49Å; P84-S87 PolarHBondContact O-OG 3.49Å; P84-F102 HydrophobicContact CG-CD1 4.32Å; P84-Q128 HydrophobicContact CG-CG 4.32Å; P84-Q128 VanDerWaalsContact CG-NE2 3.32Å; P84-P129 WeakPolarHBondContact CG-O 3.44Å
85A87.2Confident77.2Confident78 Ų7882.1 Ų82.165%0.64544%0.44SS*.THydrogen-bonded Turntrans-57.3143.2173.500000110.8S87A85-S87 VanDerWaalsContact C-N 3.26Å; A85-S87 PolarHBondContact O-N 3.03Å
86N86.7Confident77.8Confident68 Ų6878 Ų7836%0.36442%0.421SS..THydrogen-bonded Turntrans5638.5-178-47.7-45000113.1D105 Y108N86-D105 WeakPolarHBondContact CA-OD2 3.42Å; N86-D105 PolarHBondContact O-N 2.9Å; N86-Y108 HydrophobicContact CB-CD1 3.95Å; N86-Y108 HydrophobicContact CB-CD2 3.84Å; N86-Y108 HydrophobicContact CB-CE1 3.95Å; N86-Y108 HydrophobicContact CB-CE2 3.81Å; N86-Y108 HydrophobicContact CB-CG 3.94Å; N86-Y108 WeakPolarHBondContact ND2-CE1 3.39Å; N86-Y108 PolarHBondContact ND2-OH 2.95Å
87S82.1Confident77.9Confident15 Ų1574.9 Ų74.911%0.10542%0.417CS..EExtended strand (participates in β ladder)trans-145.4153.8-179.9840000112.5P84 A85 L103 D105 C131P84-S87 WeakPolarHBondContact CB-OG 3.21Å; P84-S87 WeakPolarHBondContact CD-OG 3.41Å; P84-S87 WeakPolarHBondContact CG-OG 3.35Å; P84-S87 WeakPolarHBondContact O-CB 3.2Å; P84-S87 PolarHBondContact O-N 3.49Å; P84-S87 PolarHBondContact O-OG 3.49Å; A85-S87 VanDerWaalsContact C-N 3.26Å; A85-S87 PolarHBondContact O-N 3.03Å; S87-L103 CarbonylContact C-O 3.58Å; S87-L103 WeakPolarHBondContact CA-O 3.4Å; S87-L103 WeakPolarHBondContact CB-O 3.44Å; S87-D105 PolarHBondContact N-OD2 2.83Å; S87-C131 WeakPolarHBondContact CB-SG 3.42Å
88R83.9Confident77.7Confident140 Ų14076.7 Ų76.753%0.52842%0.422SS..EExtended strand (participates in β ladder)trans-120.9147.217164.2-172.5179.9-134.72.3110L103R88-L103 HydrophobicContact CG-CB 3.71Å; R88-L103 HydrophobicContact CG-CD1 4.15Å; R88-L103 PolarHBondContact N-O 3.18Å; R88-L103 PolarHBondContact O-N 3.39Å
89K82.6Confident77.7Confident70 Ų7080.7 Ų80.730%0.30444%0.44SS..EExtended strand (participates in β ladder)trans-110.4142.4174.970.7-179.5-179.6174.40111.7L81 T83 V100 H101 F102L81-K89 PolarHBondContact O-NZ 3.38Å; T83-K89 HydrophobicContact CG2-CB 4.1Å; T83-K89 HydrophobicContact CG2-CD 3.73Å; T83-K89 HydrophobicContact CG2-CG 3.64Å; K89-V100 HydrophobicContact CB-CG1 3.91Å; K89-V100 HydrophobicContact CD-CG1 4.21Å; K89-V100 HydrophobicContact CG-CG1 4.45Å; K89-H101 CarbonylContact C-O 3.58Å; K89-H101 VanDerWaalsContact CA-O 3.23Å; K89-H101 WeakPolarHBondContact CA-O 3.13Å; K89-F102 HydrophobicContact CB-CD1 4.12Å; K89-F102 HydrophobicContact CB-CE1 4.01Å
90L75.3Confident77.6Confident99 Ų9974.3 Ų74.352%0.51841%0.407SS..EExtended strand (participates in β ladder)trans-109.8129171.4-62.6178.6000109.3V100 H101 L103L90-V100 WeakPolarHBondContact O-CA 3.38Å; L90-H101 HydrophobicContact CB-CB 4.41Å; L90-H101 PolarHBondContact N-O 3.04Å; L90-H101 PolarHBondContact O-N 3.4Å; L90-L103 HydrophobicContact CD1-CD1 3.47Å; L90-L103 VanDerWaalsContact CD1-CD1 3.47Å; L90-L103 HydrophobicContact CG-CD1 3.73Å
91G65.9Low77.5Confident39 Ų3970.8 Ų70.840%0.40239%0.393SS..  trans115126.2-174.800000111.9
92K60.7Low77.6Confident204 Ų20470.2 Ų70.289%0.88739%0.39SS*.  trans-110.8-20.6-179.1-67.6-176.6179.7179.90113.4
93A63.5Low77.4Confident39 Ų3967.2 Ų67.232%0.32237%0.373SS..  trans-79.4135.8-176.200000110.5H98A93-H98 HydrophobicContact CB-CB 4.23Å; A93-H98 WeakPolarHBondContact CB-CD2 3.48Å
94Q71.1Confident77.6Confident62 Ų6264.6 Ų64.629%0.2936%0.358SS..  trans-116.713.1-174.2-65.3173.595.100111.6T77 C78 C118T77-Q94 CarbonylContact C-O 3.47Å; T77-Q94 VanDerWaalsContact CA-O 3.28Å; T77-Q94 WeakPolarHBondContact CA-O 3.47Å; T77-Q94 HydrophobicContact CG2-CB 4.25Å; C78-Q94 PolarHBondContact N-O 2.98Å; C78-Q94 PolarHBondContact O-OE1 3.49Å; Q94-C118 PolarHBondContact O-SG 3.33Å
95T79.6Confident77.7Confident58 Ų5866.3 Ų66.336%0.35637%0.366SS..SBendtrans-79.9148.6178.8420000110.9T77 G97 H98 C118T77-T95 HydrophobicContact CG2-CG2 4.33Å; T95-G97 PolarHBondContact O-N 2.8Å; T95-H98 WeakPolarHBondContact O-CB 3.31Å; T95-H98 PolarHBondContact O-N 2.87Å; T95-H98 VanDerWaalsContact O-N 3.1Å; T95-H98 PolarHBondContact O-ND1 3.24Å; T95-H98 PolarHBondContact OG1-CE1 3.3Å; T95-H98 PolarHBondContact OG1-ND1 3.5Å; T95-C118 VanDerWaalsContact C-SG 3.54Å
96P79.9Confident77.1Confident55 Ų5566.1 Ų66.136%0.35736%0.364SS..THydrogen-bonded Turntrans-48.1137.6175.3-29.336.3000112.8H98 C118 L122P96-H98 VanDerWaalsContact C-N 3.34Å; P96-C118 WeakPolarHBondContact CA-O 3.49Å; P96-C118 VanDerWaalsContact CA-SG 3.59Å; P96-L122 HydrophobicContact CG-CD2 4.03Å
97G71.5Confident76.4Confident54 Ų5463.1 Ų63.156%0.55735%0.349SS*.THydrogen-bonded Turntrans86.2-9.3-176.100000115.5T95 C118T95-G97 PolarHBondContact O-N 2.8Å; G97-C118 PolarHBondContact N-O 3.31Å
98H74.1Confident76.4Confident92 Ų9264 Ų6443%0.42635%0.35SS..  trans-82.6143.7174-75.366000112.3A93 T95 P96 M117 C118A93-H98 HydrophobicContact CB-CB 4.23Å; A93-H98 WeakPolarHBondContact CB-CD2 3.48Å; T95-H98 WeakPolarHBondContact O-CB 3.31Å; T95-H98 PolarHBondContact O-N 2.87Å; T95-H98 VanDerWaalsContact O-N 3.1Å; T95-H98 PolarHBondContact O-ND1 3.24Å; T95-H98 PolarHBondContact OG1-CE1 3.3Å; T95-H98 PolarHBondContact OG1-ND1 3.5Å; P96-H98 VanDerWaalsContact C-N 3.34Å; H98-M117 WeakPolarHBondContact O-CA 3.4Å; H98-C118 PolarHBondContact O-N 2.12Å
99E79.9Confident76.4Confident84 Ų8461 Ų6139%0.39334%0.342SS..EExtended strand (participates in β ladder)trans-110139-179.3-170.5170.8-156.400110.8H101 S115 R116E99-H101 IonicContact OE1-CE1 2.65Å; E99-H101 IonicContact OE2-CE1 3.13Å; E99-H101 IonicContact OE2-NE2 2.97Å; E99-S115 WeakPolarHBondContact OE1-CB 3.23Å; E99-S115 PolarHBondContact OE1-OG 3.21Å; E99-R116 CarbonylContact C-O 3.25Å; E99-R116 WeakPolarHBondContact CA-O 3.05Å
100V80.6Confident76.5Confident5 Ų560.4 Ų60.43%0.0334%0.342CS..EExtended strand (participates in β ladder)trans-118.3124175173.20000107.8K89 L90 F102 S115 R116 W124K89-V100 HydrophobicContact CB-CG1 3.91Å; K89-V100 HydrophobicContact CD-CG1 4.21Å; K89-V100 HydrophobicContact CG-CG1 4.45Å; L90-V100 WeakPolarHBondContact O-CA 3.38Å; V100-F102 HydrophobicContact CG1-CE1 4.49Å; V100-F102 HydrophobicContact CG1-CE2 4.07Å; V100-F102 HydrophobicContact CG1-CZ 3.91Å; V100-S115 CarbonylContact O-C 3.5Å; V100-S115 WeakPolarHBondContact O-CA 3.2Å; V100-R116 PolarHBondContact N-O 2.85Å; V100-R116 PolarHBondContact O-N 2.89Å; V100-W124 HydrophobicContact CB-CH2 4.17Å; V100-W124 HydrophobicContact CB-CZ3 4.14Å; V100-W124 HydrophobicContact CG2-CH2 3.42Å; V100-W124 VanDerWaalsContact CG2-CH2 3.42Å; V100-W124 HydrophobicContact CG2-CZ2 4.3Å; V100-W124 HydrophobicContact CG2-CZ3 3.86Å
101H79.1Confident77.1Confident77 Ų7758.6 Ų58.636%0.35634%0.335SS..EExtended strand (participates in β ladder)trans-96.3142.7178-63.9-89.6000110.7K89 L90 E99 E114 S115K89-H101 CarbonylContact C-O 3.58Å; K89-H101 VanDerWaalsContact CA-O 3.23Å; K89-H101 WeakPolarHBondContact CA-O 3.13Å; L90-H101 HydrophobicContact CB-CB 4.41Å; L90-H101 PolarHBondContact N-O 3.04Å; L90-H101 PolarHBondContact O-N 3.4Å; E99-H101 IonicContact OE1-CE1 2.65Å; E99-H101 IonicContact OE2-CE1 3.13Å; E99-H101 IonicContact OE2-NE2 2.97Å; H101-E114 WeakPolarHBondContact CA-O 3.03Å; H101-S115 WeakPolarHBondContact ND1-CB 3.48Å
102F82.7Confident78.1Confident6 Ų659.7 Ų59.73%0.02635%0.346CS..EExtended strand (participates in β ladder)trans-110.2134.7176.9-64.8-85.9000110L81 P84 K89 V100 L110 E114 R116 Q128 P129L81-F102 HydrophobicContact CB-CZ 4.37Å; L81-F102 HydrophobicContact CD1-CE2 4.18Å; L81-F102 HydrophobicContact CD1-CZ 3.7Å; P84-F102 HydrophobicContact CG-CD1 4.32Å; K89-F102 HydrophobicContact CB-CD1 4.12Å; K89-F102 HydrophobicContact CB-CE1 4.01Å; V100-F102 HydrophobicContact CG1-CE1 4.49Å; V100-F102 HydrophobicContact CG1-CE2 4.07Å; V100-F102 HydrophobicContact CG1-CZ 3.91Å; F102-L110 HydrophobicContact CB-CD1 4.12Å; F102-E114 PolarHBondContact N-O 3.16Å; F102-R116 HydrophobicContact CE2-CB 4.28Å; F102-R116 HydrophobicContact CE2-CG 3.9Å; F102-Q128 VanDerWaalsContact CZ-NE2 3.33Å; F102-P129 HydrophobicContact CB-CG 3.88Å; F102-P129 HydrophobicContact CD1-CG 4.33Å; F102-P129 HydrophobicContact CD2-CG 3.65Å; F102-P129 HydrophobicContact CE2-CG 4.32Å; F102-P129 HydrophobicContact CG-CG 3.66Å
103L77.3Confident78.9Confident64 Ų6452.2 Ų52.234%0.33532%0.323SS..EExtended strand (participates in β ladder)trans-127.4131.7177.4-65.7154.5000107.2S87 R88 L90S87-L103 CarbonylContact C-O 3.58Å; S87-L103 WeakPolarHBondContact CA-O 3.4Å; S87-L103 WeakPolarHBondContact CB-O 3.44Å; R88-L103 HydrophobicContact CG-CB 3.71Å; R88-L103 HydrophobicContact CG-CD1 4.15Å; R88-L103 PolarHBondContact N-O 3.18Å; R88-L103 PolarHBondContact O-N 3.39Å; L90-L103 HydrophobicContact CD1-CD1 3.47Å; L90-L103 VanDerWaalsContact CD1-CD1 3.47Å; L90-L103 HydrophobicContact CG-CD1 3.73Å
104C83.9Confident79.5Confident24 Ų2454.9 Ų54.916%0.16233%0.328CS..EExtended strand (participates in β ladder)trans-77.9152.4170.2-61.70000110.8Y108 E109 L110 C131C104-Y108 VanDerWaalsContact CB-O 3.31Å; C104-Y108 WeakPolarHBondContact CB-O 3.48Å; C104-E109 VanDerWaalsContact SG-C 3.58Å; C104-L110 WeakPolarHBondContact SG-CA 3.13Å; C104-L110 VanDerWaalsContact SG-CD1 3.57Å; C104-L110 PolarHBondContact SG-N 3.13Å; C104-C131 WeakPolarHBondContact CA-SG 3.38Å; C104-C131 HydrophobicContact CB-CB 3.85Å; C104-C131 WeakPolarHBondContact CB-SG 3.14Å; C104-C131 VanDerWaalsContact SG-CA 3.56Å; C104-C131 WeakPolarHBondContact SG-CB 3.3Å; C104-C131 CovalentContact SG-SG 2.03Å; C104-C131 PolarHBondContact SG-SG 3.21Å
105D83.6Confident80.1Confident60 Ų6053 Ų5332%0.32132%0.322SS..PPolyproline II helixtrans-68.3163168-64-37000110N86 S87 G107 Y108N86-D105 WeakPolarHBondContact CA-OD2 3.42Å; N86-D105 PolarHBondContact O-N 2.9Å; S87-D105 PolarHBondContact N-OD2 2.83Å; D105-G107 PolarHBondContact O-N 2.65Å; D105-Y108 PolarHBondContact O-N 2.86Å
106A75.6Confident80.4Confident74 Ų7451.5 Ų51.561%0.61231%0.31SS*.THydrogen-bonded Turntrans-57.5136.2-178.800000111.1
107G71.1Confident80.7Confident4 Ų453 Ų534%0.04131%0.313CS..THydrogen-bonded Turntrans87.97-176.900000115.2D105 N133 I134 N153D105-G107 PolarHBondContact O-N 2.65Å; G107-N133 PolarHBondContact O-ND2 2.04Å; G107-I134 PolarHBondContact O-N 2.89Å; G107-N153 VanDerWaalsContact CA-CA 3.48Å; G107-N153 VanDerWaalsContact CA-CB 3.48Å; G107-N153 VanDerWaalsContact CA-OD1 3.31Å; G107-N153 WeakPolarHBondContact CA-OD1 3.36Å; G107-N153 PolarHBondContact N-OD1 2.77Å
108Y82.1Confident81.4Confident34 Ų3450.4 Ų50.413%0.13329%0.287CS..EExtended strand (participates in β ladder)trans-128.1138.2177.2-66.4-98.6000110.8N86 C104 D105 C131 R132 N133N86-Y108 HydrophobicContact CB-CD1 3.95Å; N86-Y108 HydrophobicContact CB-CD2 3.84Å; N86-Y108 HydrophobicContact CB-CE1 3.95Å; N86-Y108 HydrophobicContact CB-CE2 3.81Å; N86-Y108 HydrophobicContact CB-CG 3.94Å; N86-Y108 WeakPolarHBondContact ND2-CE1 3.39Å; N86-Y108 PolarHBondContact ND2-OH 2.95Å; C104-Y108 VanDerWaalsContact CB-O 3.31Å; C104-Y108 WeakPolarHBondContact CB-O 3.48Å; D105-Y108 PolarHBondContact O-N 2.86Å; Y108-C131 HydrophobicContact CD1-CB 4.33Å; Y108-C131 HydrophobicContact CG-CB 4.45Å; Y108-R132 CarbonylContact C-O 3.58Å; Y108-R132 VanDerWaalsContact CA-O 3.23Å; Y108-R132 WeakPolarHBondContact CA-O 3.36Å; Y108-N133 HydrophobicContact CD1-CB 3.99Å; Y108-N133 VanDerWaalsContact CD1-N 3.31Å; Y108-N133 HydrophobicContact CE1-CB 3.66Å
109E83.9Confident81.8Confident77 Ų7750.1 Ų50.136%0.3629%0.286SS..EExtended strand (participates in β ladder)trans-99.4143.6172.856.4170.5-17400111C104 V111 C131 R132 I134C104-E109 VanDerWaalsContact SG-C 3.58Å; E109-V111 PolarHBondContact O-N 2.96Å; E109-C131 WeakPolarHBondContact O-CA 3.09Å; E109-R132 HydrophobicContact CG-CB 4.36Å; E109-R132 WeakPolarHBondContact CG-O 3.22Å; E109-R132 PolarHBondContact N-O 2.82Å; E109-R132 PolarHBondContact O-N 2.91Å; E109-R132 IonicContact OE1-CZ 3.79Å; E109-R132 IonicContact OE1-NE 2.77Å; E109-R132 PolarHBondContact OE1-NE 3.44Å; E109-R132 IonicContact OE1-NH2 2.65Å; E109-R132 PolarHBondContact OE1-NH2 3.31Å; E109-I134 HydrophobicContact CB-CD1 4.27Å; E109-I134 HydrophobicContact CB-CG1 3.83Å; E109-I134 HydrophobicContact CG-CG1 3.96Å
110L84.1Confident81.9Confident57 Ų5755 Ų5530%0.29831%0.308SS..EExtended strand (participates in β ladder)trans-79.7119.8177.9-168.483.1000110.1F102 C104 E114 P129F102-L110 HydrophobicContact CB-CD1 4.12Å; C104-L110 WeakPolarHBondContact SG-CA 3.13Å; C104-L110 VanDerWaalsContact SG-CD1 3.57Å; C104-L110 PolarHBondContact SG-N 3.13Å; L110-E114 VanDerWaalsContact CD2-CA 3.47Å; L110-E114 HydrophobicContact CD2-CB 3.98Å; L110-P129 HydrophobicContact CD1-CB 3.88Å; L110-P129 HydrophobicContact CD1-CG 4.31Å; L110-P129 HydrophobicContact CD2-CB 4.47Å; L110-P129 HydrophobicContact CG-CB 4.18Å
111V88.4Confident82.1Confident61 Ų6158.4 Ų58.437%0.3733%0.333SS..EExtended strand (participates in β ladder)trans-105.4107.1173.5-175.90000108.4E109 P129 T130 R132E109-V111 PolarHBondContact O-N 2.96Å; V111-P129 WeakPolarHBondContact O-CA 3.29Å; V111-T130 PolarHBondContact N-O 3.02Å; V111-T130 PolarHBondContact O-N 3.29Å; V111-R132 HydrophobicContact CG2-CB 3.85Å
112G86.6Confident82.2Confident62 Ų6257.9 Ų57.964%0.63933%0.332SS*.SBendtrans127.7-155.7-179.900000113
113A77.4Confident82.4Confident47 Ų4761 Ų6139%0.38835%0.351SS..  trans-80.3133.8178.600000111.4S115 P129A113-S115 PolarHBondContact O-N 2.52Å; A113-P129 WeakPolarHBondContact O-CB 3.39Å; A113-P129 VanDerWaalsContact O-CG 3.3Å; A113-P129 WeakPolarHBondContact O-CG 3.29Å
114E77.6Confident82.8Confident95 Ų9559 Ų5944%0.44434%0.339SS..SBendtrans-67.7-17.3178.768.9-173.6153.200114.3H101 F102 L110 S369H101-E114 WeakPolarHBondContact CA-O 3.03Å; F102-E114 PolarHBondContact N-O 3.16Å; L110-E114 VanDerWaalsContact CD2-CA 3.47Å; L110-E114 HydrophobicContact CD2-CB 3.98Å; E114-S369 WeakPolarHBondContact OE1-CB 3.2Å; E114-S369 PolarHBondContact OE1-OG 2.9Å
115S83.4Confident83Confident23 Ų2359.5 Ų59.516%0.16134%0.343CS..EExtended strand (participates in β ladder)trans-148.5157.3-179.664.20000112.1E99 V100 H101 A113E99-S115 WeakPolarHBondContact OE1-CB 3.23Å; E99-S115 PolarHBondContact OE1-OG 3.21Å; V100-S115 CarbonylContact O-C 3.5Å; V100-S115 WeakPolarHBondContact O-CA 3.2Å; H101-S115 WeakPolarHBondContact ND1-CB 3.48Å; A113-S115 PolarHBondContact O-N 2.52Å
116R84.8Confident83.1Confident26 Ų2659.6 Ų59.610%0.09836%0.359CS..EExtended strand (participates in β ladder)trans-130.9141.5172.2-59.8-17672.3-169.32.2109L81 E99 V100 F102 W124 S125 G126L81-R116 HydrophobicContact CD1-CB 4.24Å; L81-R116 VanDerWaalsContact CD2-NH1 3.32Å; E99-R116 CarbonylContact C-O 3.25Å; E99-R116 WeakPolarHBondContact CA-O 3.05Å; V100-R116 PolarHBondContact N-O 2.85Å; V100-R116 PolarHBondContact O-N 2.89Å; F102-R116 HydrophobicContact CE2-CB 4.28Å; F102-R116 HydrophobicContact CE2-CG 3.9Å; R116-W124 HydrophobicContact CB-CB 4.49Å; R116-W124 HydrophobicContact CB-CE3 3.75Å; R116-W124 HydrophobicContact CB-CZ3 4.44Å; R116-W124 VanDerWaalsContact CZ-CB 3.48Å; R116-W124 VanDerWaalsContact NH2-CB 3.29Å; R116-W124 PolarHBondContact NH2-O 3.33Å; R116-W124 WeakPolarHBondContact O-CZ3 3.05Å; R116-S125 PolarHBondContact NE-O 2.64Å; R116-G126 PolarHBondContact NH2-O 3.13Å
117M86.8Confident83.7Confident86 Ų8664.4 Ų64.442%0.42437%0.369SS..EExtended strand (participates in β ladder)trans-109.9135.8178.4-175.2-177.2-63.400110.3H98 Q119 S125H98-M117 WeakPolarHBondContact O-CA 3.4Å; M117-Q119 PolarHBondContact O-N 3.27Å; M117-S125 PolarHBondContact N-OG 3.22Å; M117-S125 PolarHBondContact O-N 2.88Å
118C85.9Confident84.3Confident1 Ų167.3 Ų67.31%0.00738%0.381CS..BIsolated β-bridgetrans-73.7118.1172.1175.80000109.2C78 Q94 T95 P96 G97 H98 W124C78-C118 HydrophobicContact CB-CB 3.86Å; C78-C118 WeakPolarHBondContact CB-SG 3.49Å; C78-C118 WeakPolarHBondContact SG-CA 3.38Å; C78-C118 WeakPolarHBondContact SG-CB 3.36Å; C78-C118 CovalentContact SG-SG 2.01Å; C78-C118 PolarHBondContact SG-SG 2.68Å; Q94-C118 PolarHBondContact O-SG 3.33Å; T95-C118 VanDerWaalsContact C-SG 3.54Å; P96-C118 WeakPolarHBondContact CA-O 3.49Å; P96-C118 VanDerWaalsContact CA-SG 3.59Å; G97-C118 PolarHBondContact N-O 3.31Å; H98-C118 PolarHBondContact O-N 2.12Å; C118-W124 HydrophobicContact CB-CD2 4.5Å; C118-W124 HydrophobicContact CB-CE3 4.22Å; C118-W124 HydrophobicContact CB-CH2 3.96Å; C118-W124 HydrophobicContact CB-CZ2 4.28Å; C118-W124 HydrophobicContact CB-CZ3 3.93Å; C118-W124 VanDerWaalsContact N-CZ3 3.31Å
119Q83.6Confident84.5Confident86 Ų8665.8 Ų65.840%0.40238%0.375SS..  trans-87.3162.9-177.6-59.6179-59.600111.3M117 S121 L122 T123M117-Q119 PolarHBondContact O-N 3.27Å; Q119-S121 WeakPolarHBondContact CB-OG 3.12Å; Q119-S121 PolarHBondContact O-N 3.38Å; Q119-S121 VanDerWaalsContact O-N 3.16Å; Q119-L122 PolarHBondContact O-N 3.28Å; Q119-T123 VanDerWaalsContact CB-O 3.3Å; Q119-T123 WeakPolarHBondContact CB-O 3.4Å; Q119-T123 WeakPolarHBondContact CG-O 3.31Å; Q119-T123 PolarHBondContact N-O 3.39Å; Q119-T123 PolarHBondContact OE1-OG1 3.25Å
120E81.6Confident84.9Confident186 Ų18666 Ų6687%0.86938%0.382SS*.THydrogen-bonded Turntrans-60.5-22.5174-63-177.5174.400112.7L122E120-L122 PolarHBondContact O-N 3.18Å
121S84.3Confident85.1Confident77 Ų7764.1 Ų64.154%0.53837%0.374SS..THydrogen-bonded Turntrans-74.24.3171.551.60000114.3Q119 T123Q119-S121 WeakPolarHBondContact CB-OG 3.12Å; Q119-S121 PolarHBondContact O-N 3.38Å; Q119-S121 VanDerWaalsContact O-N 3.16Å; S121-T123 PolarHBondContact O-N 3.5Å; S121-T123 PolarHBondContact OG-OG1 3.15Å
122L81.9Confident85.2Confident66 Ų6668.5 Ų68.535%0.34638%0.383SS..SBendtrans59.822.3-175.3-55.3175.5000114P96 Q119 E120P96-L122 HydrophobicContact CG-CD2 4.03Å; Q119-L122 PolarHBondContact O-N 3.28Å; E120-L122 PolarHBondContact O-N 3.18Å
123T85.7Confident85Confident70 Ų7067.8 Ų67.843%0.42937%0.365SS..  trans-112.7152.117554.10000110.8Q119 S121Q119-T123 VanDerWaalsContact CB-O 3.3Å; Q119-T123 WeakPolarHBondContact CB-O 3.4Å; Q119-T123 WeakPolarHBondContact CG-O 3.31Å; Q119-T123 PolarHBondContact N-O 3.39Å; Q119-T123 PolarHBondContact OE1-OG1 3.25Å; S121-T123 PolarHBondContact O-N 3.5Å; S121-T123 PolarHBondContact OG-OG1 3.15Å
124W87.1Confident85.3Confident22 Ų2268.5 Ų68.58%0.08336%0.362CS..BIsolated β-bridgetrans-85.3139.1175.3-71.697.8000111.6C78 L79 L81 V100 R116 C118C78-W124 HydrophobicContact CB-CD2 4.45Å; C78-W124 HydrophobicContact CB-CZ2 3.99Å; L79-W124 PolarHBondContact O-NE1 2.84Å; L81-W124 HydrophobicContact CD1-CD2 3.44Å; L81-W124 VanDerWaalsContact CD1-CD2 3.44Å; L81-W124 HydrophobicContact CD1-CE3 3.78Å; L81-W124 HydrophobicContact CD1-CG 3.77Å; L81-W124 HydrophobicContact CD1-CH2 4.32Å; L81-W124 HydrophobicContact CD1-CZ2 4Å; L81-W124 HydrophobicContact CD1-CZ3 4.21Å; L81-W124 HydrophobicContact CD2-CB 4.31Å; L81-W124 HydrophobicContact CD2-CD2 4.25Å; L81-W124 HydrophobicContact CD2-CG 3.74Å; L81-W124 HydrophobicContact CG-CD2 3.84Å; L81-W124 HydrophobicContact CG-CG 3.88Å; L81-W124 HydrophobicContact CG-CZ2 4.1Å; V100-W124 HydrophobicContact CB-CH2 4.17Å; V100-W124 HydrophobicContact CB-CZ3 4.14Å; V100-W124 HydrophobicContact CG2-CH2 3.42Å; V100-W124 VanDerWaalsContact CG2-CH2 3.42Å; V100-W124 HydrophobicContact CG2-CZ2 4.3Å; V100-W124 HydrophobicContact CG2-CZ3 3.86Å; R116-W124 HydrophobicContact CB-CB 4.49Å; R116-W124 HydrophobicContact CB-CE3 3.75Å; R116-W124 HydrophobicContact CB-CZ3 4.44Å; R116-W124 VanDerWaalsContact CZ-CB 3.48Å; R116-W124 VanDerWaalsContact NH2-CB 3.29Å; R116-W124 PolarHBondContact NH2-O 3.33Å; R116-W124 WeakPolarHBondContact O-CZ3 3.05Å; C118-W124 HydrophobicContact CB-CD2 4.5Å; C118-W124 HydrophobicContact CB-CE3 4.22Å; C118-W124 HydrophobicContact CB-CH2 3.96Å; C118-W124 HydrophobicContact CB-CZ2 4.28Å; C118-W124 HydrophobicContact CB-CZ3 3.93Å; C118-W124 VanDerWaalsContact N-CZ3 3.31Å
125S88.1Confident85.5Confident35 Ų3568.2 Ų68.225%0.24536%0.363CS..SBendtrans-60.3140.2175.465.30000112.1R116 M117R116-S125 PolarHBondContact NE-O 2.64Å; M117-S125 PolarHBondContact N-OG 3.22Å; M117-S125 PolarHBondContact O-N 2.88Å
126G85.8Confident85.6Confident63 Ų6368.8 Ų68.865%0.64936%0.363SS*.SBendtrans65.1-166.2172.400000114.7R116R116-G126 PolarHBondContact NH2-O 3.13Å
127Q86.8Confident85.7Confident175 Ų17568.6 Ų68.682%0.81837%0.366SS*.PPolyproline II helixtrans-96.2157.3176.5-68-177.8-21.100111.2
128Q84.9Confident85.7Confident64 Ų6468.3 Ų68.330%0.29938%0.377SS..PPolyproline II helixtrans-66.7123.8177-174.761.432.600109.7P84 F102P84-Q128 HydrophobicContact CG-CG 4.32Å; P84-Q128 VanDerWaalsContact CG-NE2 3.32Å; F102-Q128 VanDerWaalsContact CZ-NE2 3.33Å
129P86.1Confident85.4Confident2 Ų272.8 Ų72.81%0.01341%0.409CS..PPolyproline II helixtrans-69.6154175.731-37.9000111.2P84 F102 L110 V111 A113P84-P129 WeakPolarHBondContact CG-O 3.44Å; F102-P129 HydrophobicContact CB-CG 3.88Å; F102-P129 HydrophobicContact CD1-CG 4.33Å; F102-P129 HydrophobicContact CD2-CG 3.65Å; F102-P129 HydrophobicContact CE2-CG 4.32Å; F102-P129 HydrophobicContact CG-CG 3.66Å; L110-P129 HydrophobicContact CD1-CB 3.88Å; L110-P129 HydrophobicContact CD1-CG 4.31Å; L110-P129 HydrophobicContact CD2-CB 4.47Å; L110-P129 HydrophobicContact CG-CB 4.18Å; V111-P129 WeakPolarHBondContact O-CA 3.29Å; A113-P129 WeakPolarHBondContact O-CB 3.39Å; A113-P129 VanDerWaalsContact O-CG 3.3Å; A113-P129 WeakPolarHBondContact O-CG 3.29Å
130T92.8Very high85.6Confident81 Ų8173.2 Ų73.250%0.49742%0.421SS..EExtended strand (participates in β ladder)trans-121.8147177.754.80000110.5V111V111-T130 PolarHBondContact N-O 3.02Å; V111-T130 PolarHBondContact O-N 3.29Å
131C88Confident85.8Confident19 Ų1965.4 Ų65.413%0.12839%0.386CS..EExtended strand (participates in β ladder)trans-95.9118.2173.3-68.40000109.5S87 C104 Y108 E109S87-C131 WeakPolarHBondContact CB-SG 3.42Å; C104-C131 WeakPolarHBondContact CA-SG 3.38Å; C104-C131 HydrophobicContact CB-CB 3.85Å; C104-C131 WeakPolarHBondContact CB-SG 3.14Å; C104-C131 VanDerWaalsContact SG-CA 3.56Å; C104-C131 WeakPolarHBondContact SG-CB 3.3Å; C104-C131 CovalentContact SG-SG 2.03Å; C104-C131 PolarHBondContact SG-SG 3.21Å; Y108-C131 HydrophobicContact CD1-CB 4.33Å; Y108-C131 HydrophobicContact CG-CB 4.45Å; E109-C131 WeakPolarHBondContact O-CA 3.09Å
132R89.6Confident86.1Confident152 Ų15262.6 Ų62.657%0.57437%0.367SS*.EExtended strand (participates in β ladder)trans-102.7137176.2-175.8175.765-175.61.3108.6Y108 E109 V111 I134Y108-R132 CarbonylContact C-O 3.58Å; Y108-R132 VanDerWaalsContact CA-O 3.23Å; Y108-R132 WeakPolarHBondContact CA-O 3.36Å; E109-R132 HydrophobicContact CG-CB 4.36Å; E109-R132 WeakPolarHBondContact CG-O 3.22Å; E109-R132 PolarHBondContact N-O 2.82Å; E109-R132 PolarHBondContact O-N 2.91Å; E109-R132 IonicContact OE1-CZ 3.79Å; E109-R132 IonicContact OE1-NE 2.77Å; E109-R132 PolarHBondContact OE1-NE 3.44Å; E109-R132 IonicContact OE1-NH2 2.65Å; E109-R132 PolarHBondContact OE1-NH2 3.31Å; V111-R132 HydrophobicContact CG2-CB 3.85Å; R132-I134 PolarHBondContact O-N 2.96Å
133N82.9Confident86.3Confident48 Ų4863.6 Ų63.626%0.25737%0.372SS..EExtended strand (participates in β ladder)trans-60.2134.7174.6167.9-114.6000109.1G107 Y108 N135 D150G107-N133 PolarHBondContact O-ND2 2.04Å; Y108-N133 HydrophobicContact CD1-CB 3.99Å; Y108-N133 VanDerWaalsContact CD1-N 3.31Å; Y108-N133 HydrophobicContact CE1-CB 3.66Å; N133-N135 PolarHBondContact O-N 3.34Å; N133-D150 PolarHBondContact OD1-OD2 2.77Å
134I83.3Confident86.4Confident62 Ų6263.8 Ų63.832%0.31837%0.37SS..PPolyproline II helixtrans-73.2125.9176.9-64170.1000106.2G107 E109 R132 E136G107-I134 PolarHBondContact O-N 2.89Å; E109-I134 HydrophobicContact CB-CD1 4.27Å; E109-I134 HydrophobicContact CB-CG1 3.83Å; E109-I134 HydrophobicContact CG-CG1 3.96Å; R132-I134 PolarHBondContact O-N 2.96Å; I134-E136 HydrophobicContact CG2-CG 4.28Å; I134-E136 VanDerWaalsContact O-CD 3.26Å; I134-E136 PolarHBondContact O-N 2.86Å
135N82.8Confident86.3Confident88 Ų8865.6 Ų65.647%0.47140%0.396SS..  trans-85.195.6174.6-180-19.7000108.6N133 C137 A138 D150N133-N135 PolarHBondContact O-N 3.34Å; N135-C137 PolarHBondContact O-N 3.34Å; N135-C137 VanDerWaalsContact OD1-CA 3.32Å; N135-C137 WeakPolarHBondContact OD1-CA 3.46Å; N135-C137 VanDerWaalsContact OD1-CB 3.26Å; N135-C137 WeakPolarHBondContact OD1-CB 3.47Å; N135-C137 PolarHBondContact OD1-N 3.06Å; N135-A138 HydrophobicContact CB-CB 4.47Å; N135-A138 WeakPolarHBondContact O-CB 3.31Å; N135-A138 PolarHBondContact O-N 3.04Å; N135-A138 PolarHBondContact OD1-N 3.16Å; N135-D150 WeakPolarHBondContact CA-OD1 3.21Å
136E84.5Confident86.4Confident35 Ų3564.6 Ų64.616%0.16439%0.391CS..G310 helixtrans-70.4-18.1179.4-69.591.5-171.200112.3I134 A138 S139 D150 F155I134-E136 HydrophobicContact CG2-CG 4.28Å; I134-E136 VanDerWaalsContact O-CD 3.26Å; I134-E136 PolarHBondContact O-N 2.86Å; E136-A138 VanDerWaalsContact C-N 3.31Å; E136-A138 PolarHBondContact O-N 2.05Å; E136-S139 PolarHBondContact O-OG 3.04Å; E136-D150 PolarHBondContact N-OD1 3.19Å; E136-F155 HydrophobicContact CB-CB 3.89Å; E136-F155 HydrophobicContact CB-CD1 3.95Å; E136-F155 HydrophobicContact CB-CG 4.34Å
137C87.6Confident86.7Confident23 Ų2365.9 Ų65.916%0.15539%0.386CS..G310 helixtrans-75.6-13.1173.9-69.10000114.4N135 S139 S140 C148 D150N135-C137 PolarHBondContact O-N 3.34Å; N135-C137 VanDerWaalsContact OD1-CA 3.32Å; N135-C137 WeakPolarHBondContact OD1-CA 3.46Å; N135-C137 VanDerWaalsContact OD1-CB 3.26Å; N135-C137 WeakPolarHBondContact OD1-CB 3.47Å; N135-C137 PolarHBondContact OD1-N 3.06Å; C137-S139 PolarHBondContact O-N 3.14Å; C137-S139 VanDerWaalsContact O-N 3.15Å; C137-S140 PolarHBondContact O-N 3.25Å; C137-C148 WeakPolarHBondContact CA-SG 3.35Å; C137-C148 HydrophobicContact CB-CB 3.73Å; C137-C148 WeakPolarHBondContact CB-SG 3.17Å; C137-C148 WeakPolarHBondContact SG-CB 3.49Å; C137-C148 CovalentContact SG-SG 2.03Å; C137-C148 PolarHBondContact SG-SG 3.25Å; C137-D150 PolarHBondContact SG-N 2.94Å; C137-D150 VanDerWaalsContact SG-N 3.42Å
138A86.1Confident87Confident79 Ų7959.2 Ų59.265%0.65336%0.359SS*.G310 helixtrans-62.1-22.8-179.400000113.6N135 E136 S140N135-A138 HydrophobicContact CB-CB 4.47Å; N135-A138 WeakPolarHBondContact O-CB 3.31Å; N135-A138 PolarHBondContact O-N 3.04Å; N135-A138 PolarHBondContact OD1-N 3.16Å; E136-A138 VanDerWaalsContact C-N 3.31Å; E136-A138 PolarHBondContact O-N 2.05Å; A138-S140 VanDerWaalsContact C-N 3.3Å
139S81Confident87.3Confident96 Ų9659.1 Ų59.167%0.67136%0.362SS*.G310 helixtrans-86.35.3174.455.80000114.1E136 C137E136-S139 PolarHBondContact O-OG 3.04Å; C137-S139 PolarHBondContact O-N 3.14Å; C137-S139 VanDerWaalsContact O-N 3.15Å
140S86.4Confident87.2Confident95 Ų9561.8 Ų61.866%0.66438%0.376SS*.  trans48.958.5-175.4-59.90000113.3C137 A138 C142C137-S140 PolarHBondContact O-N 3.25Å; A138-S140 VanDerWaalsContact C-N 3.3Å; S140-C142 VanDerWaalsContact C-N 3.33Å; S140-C142 PolarHBondContact O-N 2.83Å
141P85.7Confident86.7Confident21 Ų2161.6 Ų61.614%0.13637%0.37CS..  trans-73-20.8-171.830.3-36.1000114.2C148 F155 T167P141-C148 VanDerWaalsContact CG-SG 3.6Å; P141-F155 HydrophobicContact CB-CD2 4.06Å; P141-F155 HydrophobicContact CB-CE1 4.12Å; P141-F155 HydrophobicContact CB-CE2 3.57Å; P141-F155 HydrophobicContact CB-CZ 3.6Å; P141-F155 HydrophobicContact CG-CD1 4.22Å; P141-F155 HydrophobicContact CG-CD2 3.53Å; P141-F155 HydrophobicContact CG-CE1 4.27Å; P141-F155 HydrophobicContact CG-CE2 3.59Å; P141-F155 HydrophobicContact CG-CG 3.87Å; P141-F155 HydrophobicContact CG-CZ 3.97Å; P141-T167 VanDerWaalsContact O-CB 3.26Å; P141-T167 WeakPolarHBondContact O-CB 3.36Å; P141-T167 WeakPolarHBondContact O-CG2 3.49Å
142C90.9Very high86.3Confident19 Ų1967.3 Ų67.313%0.12840%0.396CS..  trans-82.1126.4-179.6-50.40000112S140 G146 C148 C157S140-C142 VanDerWaalsContact C-N 3.33Å; S140-C142 PolarHBondContact O-N 2.83Å; C142-G146 WeakPolarHBondContact CB-O 3.21Å; C142-C148 HydrophobicContact CB-CB 4.4Å; C142-C148 WeakPolarHBondContact SG-CA 3.41Å; C142-C148 WeakPolarHBondContact SG-CB 3.03Å; C142-C157 WeakPolarHBondContact CA-SG 3.48Å; C142-C157 HydrophobicContact CB-CB 3.84Å; C142-C157 WeakPolarHBondContact CB-SG 3.05Å; C142-C157 WeakPolarHBondContact SG-CA 3.19Å; C142-C157 WeakPolarHBondContact SG-CB 3.27Å; C142-C157 CovalentContact SG-SG 2.02Å; C142-C157 PolarHBondContact SG-SG 3.3Å
143L86.6Confident85.3Confident87 Ų8764.4 Ų64.446%0.45539%0.392SS..  trans-95.7170.4-178.3-55.4179.3000111.5G145 G146 T167 C168 Q169L143-G145 VanDerWaalsContact C-N 3.26Å; L143-G145 PolarHBondContact O-N 3.41Å; L143-G145 VanDerWaalsContact O-N 3.15Å; L143-G146 PolarHBondContact O-N 2.86Å; L143-T167 WeakPolarHBondContact CB-O 3.27Å; L143-T167 PolarHBondContact N-O 2.96Å; L143-C168 WeakPolarHBondContact O-CB 3.44Å; L143-Q169 HydrophobicContact CD1-CB 4.03Å
144N87.8Confident85Confident74 Ų7467.6 Ų67.640%0.39641%0.405SS..THydrogen-bonded Turntrans54.736.4171.5-56.8-53.2000115G146 T160 W163 C168N144-G146 PolarHBondContact O-N 2.85Å; N144-T160 PolarHBondContact O-OG1 3.32Å; N144-W163 HydrophobicContact CB-CD2 3.59Å; N144-W163 HydrophobicContact CB-CE3 3.88Å; N144-W163 HydrophobicContact CB-CG 3.94Å; N144-W163 HydrophobicContact CB-CH2 4.39Å; N144-W163 HydrophobicContact CB-CZ2 4.13Å; N144-W163 HydrophobicContact CB-CZ3 4.28Å; N144-W163 WeakPolarHBondContact ND2-CZ3 3.41Å; N144-C168 PolarHBondContact ND2-O 3.37Å
145G85.1Confident85.1Confident60 Ų6067.8 Ų67.862%0.61940%0.404SS*.THydrogen-bonded Turntrans73.913.1-179.600000114.2L143 T160L143-G145 VanDerWaalsContact C-N 3.26Å; L143-G145 PolarHBondContact O-N 3.41Å; L143-G145 VanDerWaalsContact O-N 3.15Å; G145-T160 WeakPolarHBondContact O-CG2 3.38Å
146G89.2Confident85.4Confident14 Ų1465.8 Ų65.814%0.14440%0.397CS..PPolyproline II helixtrans-60.714317100000112C142 L143 N144 T158C142-G146 WeakPolarHBondContact CB-O 3.21Å; L143-G146 PolarHBondContact O-N 2.86Å; N144-G146 PolarHBondContact O-N 2.85Å; G146-T158 WeakPolarHBondContact CA-O 3.3Å
147T93Very high85.7Confident89 Ų8965 Ų6555%0.54640%0.395SS..EExtended strand (participates in β ladder)trans-92.1126.1176.1-55.20000109.5T158T147-T158 WeakPolarHBondContact CB-OG1 3.22Å; T147-T158 PolarHBondContact N-O 3.35Å; T147-T158 PolarHBondContact O-N 2.03Å; T147-T158 PolarHBondContact O-OG1 2.87Å
148C92.6Very high85.8Confident36 Ų3667.4 Ų67.424%0.24341%0.409CS..EExtended strand (participates in β ladder)trans-83.6131.2177.2-165.40000110.6C137 P141 C142C137-C148 WeakPolarHBondContact CA-SG 3.35Å; C137-C148 HydrophobicContact CB-CB 3.73Å; C137-C148 WeakPolarHBondContact CB-SG 3.17Å; C137-C148 WeakPolarHBondContact SG-CB 3.49Å; C137-C148 CovalentContact SG-SG 2.03Å; C137-C148 PolarHBondContact SG-SG 3.25Å; P141-C148 VanDerWaalsContact CG-SG 3.6Å; C142-C148 HydrophobicContact CB-CB 4.4Å; C142-C148 WeakPolarHBondContact SG-CA 3.41Å; C142-C148 WeakPolarHBondContact SG-CB 3.03Å
149V90.8Very high85.9Confident61 Ų6165.8 Ų65.837%0.3739%0.392SS..EExtended strand (participates in β ladder)trans-115.5120.9173.5-1750000107.6F155 S156 T158V149-F155 WeakPolarHBondContact O-CA 3.22Å; V149-S156 PolarHBondContact N-O 2.88Å; V149-S156 PolarHBondContact O-N 3.28Å; V149-T158 HydrophobicContact CG2-CG2 4.15Å
150D84.6Confident86.1Confident59 Ų5963.8 Ų63.832%0.31638%0.377SS..EExtended strand (participates in β ladder)trans-75.8126.7177.5-162.745.4000109.2N133 N135 E136 C137N133-D150 PolarHBondContact OD1-OD2 2.77Å; N135-D150 WeakPolarHBondContact CA-OD1 3.21Å; E136-D150 PolarHBondContact N-OD1 3.19Å; C137-D150 PolarHBondContact SG-N 2.94Å; C137-D150 VanDerWaalsContact SG-N 3.42Å
151E83.1Confident85.8Confident76 Ų7669.6 Ų69.636%0.35539%0.39SS..EExtended strand (participates in β ladder)trans-124.5178.1177.8-57.8-174.3170.800110.2N153 Q154 S156E151-N153 PolarHBondContact O-N 2.78Å; E151-Q154 CarbonylContact C-O 3.57Å; E151-Q154 VanDerWaalsContact C-O 3.25Å; E151-Q154 VanDerWaalsContact CA-O 3.28Å; E151-Q154 WeakPolarHBondContact CA-O 3.12Å; E151-Q154 HydrophobicContact CB-CG 3.99Å; E151-Q154 VanDerWaalsContact CB-O 3.27Å; E151-Q154 WeakPolarHBondContact CB-O 3.19Å; E151-Q154 PolarHBondContact N-O 2.77Å; E151-Q154 VanDerWaalsContact O-O 3.1Å; E151-Q154 PolarHBondContact OE2-NE2 3.44Å; E151-S156 VanDerWaalsContact OE1-CB 3.27Å; E151-S156 WeakPolarHBondContact OE1-CB 3.42Å
152M78.1Confident85.3Confident140 Ų14070 Ų7069%0.6940%0.397SS*.THydrogen-bonded Turntrans-76.4114178.6-67.9-176.5-173.200110.4Q154M152-Q154 PolarHBondContact O-N 3.47Å
153N68.9Low84.9Confident91 Ų9173.3 Ų73.349%0.48741%0.407SS..THydrogen-bonded Turntrans68.613.9176.6-168.659.7000114.6G107 E151G107-N153 VanDerWaalsContact CA-CA 3.48Å; G107-N153 VanDerWaalsContact CA-CB 3.48Å; G107-N153 VanDerWaalsContact CA-OD1 3.31Å; G107-N153 WeakPolarHBondContact CA-OD1 3.36Å; G107-N153 PolarHBondContact N-OD1 2.77Å; E151-N153 PolarHBondContact O-N 2.78Å
154Q77.9Confident84.5Confident114 Ų11470.9 Ų70.953%0.53340%0.4SS..EExtended strand (participates in β ladder)trans-164.7162.8179.864.8-176.334.100109.5E151 M152E151-Q154 CarbonylContact C-O 3.57Å; E151-Q154 VanDerWaalsContact C-O 3.25Å; E151-Q154 VanDerWaalsContact CA-O 3.28Å; E151-Q154 WeakPolarHBondContact CA-O 3.12Å; E151-Q154 HydrophobicContact CB-CG 3.99Å; E151-Q154 VanDerWaalsContact CB-O 3.27Å; E151-Q154 WeakPolarHBondContact CB-O 3.19Å; E151-Q154 PolarHBondContact N-O 2.77Å; E151-Q154 VanDerWaalsContact O-O 3.1Å; E151-Q154 PolarHBondContact OE2-NE2 3.44Å; M152-Q154 PolarHBondContact O-N 3.47Å
155F84.3Confident84Confident67 Ų6769.2 Ų69.229%0.29440%0.4SS..EExtended strand (participates in β ladder)trans-114.7156.1168.566.9-83.1000110.3E136 P141 V149 T167E136-F155 HydrophobicContact CB-CB 3.89Å; E136-F155 HydrophobicContact CB-CD1 3.95Å; E136-F155 HydrophobicContact CB-CG 4.34Å; P141-F155 HydrophobicContact CB-CD2 4.06Å; P141-F155 HydrophobicContact CB-CE1 4.12Å; P141-F155 HydrophobicContact CB-CE2 3.57Å; P141-F155 HydrophobicContact CB-CZ 3.6Å; P141-F155 HydrophobicContact CG-CD1 4.22Å; P141-F155 HydrophobicContact CG-CD2 3.53Å; P141-F155 HydrophobicContact CG-CE1 4.27Å; P141-F155 HydrophobicContact CG-CE2 3.59Å; P141-F155 HydrophobicContact CG-CG 3.87Å; P141-F155 HydrophobicContact CG-CZ 3.97Å; V149-F155 WeakPolarHBondContact O-CA 3.22Å; F155-T167 HydrophobicContact CE2-CG2 3.87Å; F155-T167 HydrophobicContact CZ-CG2 3.83Å
156S89.3Confident83.7Confident46 Ų4669.5 Ų69.532%0.32240%0.397SS..EExtended strand (participates in β ladder)trans-124.8131.3173.9-177.50000110.1V149 E151V149-S156 PolarHBondContact N-O 2.88Å; V149-S156 PolarHBondContact O-N 3.28Å; E151-S156 VanDerWaalsContact OE1-CB 3.27Å; E151-S156 WeakPolarHBondContact OE1-CB 3.42Å
157C90.4Very high83.7Confident17 Ų1770.5 Ų70.512%0.11540%0.4CS..EExtended strand (participates in β ladder)trans-99.3119.6176.5-66.90000110.5C142 C159 A166 C168C142-C157 WeakPolarHBondContact CA-SG 3.48Å; C142-C157 HydrophobicContact CB-CB 3.84Å; C142-C157 WeakPolarHBondContact CB-SG 3.05Å; C142-C157 WeakPolarHBondContact SG-CA 3.19Å; C142-C157 WeakPolarHBondContact SG-CB 3.27Å; C142-C157 CovalentContact SG-SG 2.02Å; C142-C157 PolarHBondContact SG-SG 3.3Å; C157-C159 PolarHBondContact O-N 2.91Å; C157-A166 WeakPolarHBondContact CB-O 3.33Å; C157-A166 PolarHBondContact SG-O 3.31Å; C157-A166 VanDerWaalsContact SG-O 3.34Å; C157-C168 VanDerWaalsContact CB-SG 3.54Å
158T90.5Very high83.5Confident75 Ų7566.2 Ų66.246%0.4637%0.374SS..EExtended strand (participates in β ladder)trans-86.5107.2167.359.50000108.8G146 T147 V149G146-T158 WeakPolarHBondContact CA-O 3.3Å; T147-T158 WeakPolarHBondContact CB-OG1 3.22Å; T147-T158 PolarHBondContact N-O 3.35Å; T147-T158 PolarHBondContact O-N 2.03Å; T147-T158 PolarHBondContact O-OG1 2.87Å; V149-T158 HydrophobicContact CG2-CG2 4.15Å
159C87.7Confident83.2Confident44 Ų4468.6 Ų68.630%0.29738%0.381SS..PPolyproline II helixtrans-79145.6-173.9-550000113.2C157 W163 C168C157-C159 PolarHBondContact O-N 2.91Å; C159-W163 HydrophobicContact CB-CB 4.25Å; C159-W163 WeakPolarHBondContact CB-O 3.45Å; C159-C168 WeakPolarHBondContact CA-SG 3.49Å; C159-C168 HydrophobicContact CB-CB 3.76Å; C159-C168 WeakPolarHBondContact CB-SG 3.31Å; C159-C168 WeakPolarHBondContact SG-CA 3.3Å; C159-C168 WeakPolarHBondContact SG-CB 3.26Å; C159-C168 CovalentContact SG-SG 2.04Å; C159-C168 PolarHBondContact SG-SG 2.55Å
160T84.9Confident82.4Confident55 Ų5566.6 Ų66.634%0.33737%0.37SS..PPolyproline II helixtrans-67.7155.3171.550.90000110.3N144 G145 G162 W163N144-T160 PolarHBondContact O-OG1 3.32Å; G145-T160 WeakPolarHBondContact O-CG2 3.38Å; T160-G162 PolarHBondContact O-N 3.47Å; T160-W163 PolarHBondContact O-N 3.23Å
161K80.1Confident81.7Confident216 Ų21666.5 Ų66.594%0.93937%0.372SS*.THydrogen-bonded Turntrans-55.1127.4-178.3-174.9179.2179.7179.80110.3
162G75.1Confident81.1Confident29 Ų2965.8 Ų65.830%0.29937%0.373SS..THydrogen-bonded Turntrans92.44.3-17700000114.3T160 P171 V172T160-G162 PolarHBondContact O-N 3.47Å; G162-P171 CarbonylContact O-C 3.41Å; G162-P171 WeakPolarHBondContact O-CA 3.5Å; G162-V172 PolarHBondContact O-N 2.65Å
163W82.3Confident79.9Confident90 Ų9063.5 Ų63.534%0.34137%0.369SS..EExtended strand (participates in β ladder)trans-129.4148175.2-62.494.1000112.2N144 C159 T160 C168 S170 P171 V172N144-W163 HydrophobicContact CB-CD2 3.59Å; N144-W163 HydrophobicContact CB-CE3 3.88Å; N144-W163 HydrophobicContact CB-CG 3.94Å; N144-W163 HydrophobicContact CB-CH2 4.39Å; N144-W163 HydrophobicContact CB-CZ2 4.13Å; N144-W163 HydrophobicContact CB-CZ3 4.28Å; N144-W163 WeakPolarHBondContact ND2-CZ3 3.41Å; C159-W163 HydrophobicContact CB-CB 4.25Å; C159-W163 WeakPolarHBondContact CB-O 3.45Å; T160-W163 PolarHBondContact O-N 3.23Å; W163-C168 HydrophobicContact CB-CB 4.45Å; W163-S170 CarbonylContact C-O 3.27Å; W163-S170 VanDerWaalsContact CA-O 3.26Å; W163-S170 WeakPolarHBondContact CA-O 3.48Å; W163-S170 VanDerWaalsContact CE3-C 3.48Å; W163-P171 HydrophobicContact CE3-CB 4.36Å; W163-P171 HydrophobicContact CZ3-CB 4.32Å; W163-V172 VanDerWaalsContact C-CG2 3.44Å; W163-V172 VanDerWaalsContact O-CG2 3.31Å; W163-V172 WeakPolarHBondContact O-CG2 3.45Å
164A78Confident78.9Confident36 Ų3665.4 Ų65.430%0.29838%0.384SS..EExtended strand (participates in β ladder)trans-153.3173.4-173.600000110.9C168 Q169 S170 V172A164-C168 CarbonylContact O-C 3.57Å; A164-C168 WeakPolarHBondContact O-CA 3.33Å; A164-Q169 PolarHBondContact O-N 3.09Å; A164-S170 PolarHBondContact N-O 3.19Å; A164-S170 WeakPolarHBondContact O-CA 3.46Å; A164-S170 WeakPolarHBondContact O-CB 3.3Å; A164-S170 PolarHBondContact O-N 2.99Å; A164-S170 VanDerWaalsContact O-O 3.04Å; A164-V172 HydrophobicContact CB-CG2 3.5Å
165G77.6Confident77.5Confident39 Ų3967.5 Ų67.540%0.40239%0.392SS..SBendtrans100163.4-173.600000112.1T167 C168G165-T167 PolarHBondContact O-N 2.8Å; G165-T167 VanDerWaalsContact O-N 3.16Å; G165-C168 PolarHBondContact O-N 2.85Å; G165-C168 VanDerWaalsContact O-N 3.08Å
166A79.9Confident75.6Confident66 Ų6674.2 Ų74.255%0.54542%0.421SS..THydrogen-bonded Turntrans-59.5-27.4-174.300000113.8C157C157-A166 WeakPolarHBondContact CB-O 3.33Å; C157-A166 PolarHBondContact SG-O 3.31Å; C157-A166 VanDerWaalsContact SG-O 3.34Å
167T88.3Confident73Confident34 Ų3477.4 Ų77.421%0.20944%0.439CS..THydrogen-bonded Turntrans-11918.7176.453.30000112.4P141 L143 F155 G165 Q169P141-T167 VanDerWaalsContact O-CB 3.26Å; P141-T167 WeakPolarHBondContact O-CB 3.36Å; P141-T167 WeakPolarHBondContact O-CG2 3.49Å; L143-T167 WeakPolarHBondContact CB-O 3.27Å; L143-T167 PolarHBondContact N-O 2.96Å; F155-T167 HydrophobicContact CE2-CG2 3.87Å; F155-T167 HydrophobicContact CZ-CG2 3.83Å; G165-T167 PolarHBondContact O-N 2.8Å; G165-T167 VanDerWaalsContact O-N 3.16Å; T167-Q169 PolarHBondContact O-N 3.24Å; T167-Q169 PolarHBondContact OG1-OE1 2.57Å; T167-Q169 VanDerWaalsContact OG1-OE1 3.05Å
168C89.1Confident70.4Confident0 Ų082.6 Ų82.60%047%0.47CS..SBendtrans57.329.6-174.2-50.20000114.1L143 N144 C157 C159 W163 A164 G165 S170L143-C168 WeakPolarHBondContact O-CB 3.44Å; N144-C168 PolarHBondContact ND2-O 3.37Å; C157-C168 VanDerWaalsContact CB-SG 3.54Å; C159-C168 WeakPolarHBondContact CA-SG 3.49Å; C159-C168 HydrophobicContact CB-CB 3.76Å; C159-C168 WeakPolarHBondContact CB-SG 3.31Å; C159-C168 WeakPolarHBondContact SG-CA 3.3Å; C159-C168 WeakPolarHBondContact SG-CB 3.26Å; C159-C168 CovalentContact SG-SG 2.04Å; C159-C168 PolarHBondContact SG-SG 2.55Å; W163-C168 HydrophobicContact CB-CB 4.45Å; A164-C168 CarbonylContact O-C 3.57Å; A164-C168 WeakPolarHBondContact O-CA 3.33Å; G165-C168 PolarHBondContact O-N 2.85Å; G165-C168 VanDerWaalsContact O-N 3.08Å; C168-S170 VanDerWaalsContact C-N 3.33Å
169Q85.8Confident67.8Low85 Ų8586.9 Ų86.940%0.39749%0.487SS..  trans-75.5-21-175.870.8-84.732.500113.6L143 A164 T167L143-Q169 HydrophobicContact CD1-CB 4.03Å; A164-Q169 PolarHBondContact O-N 3.09Å; T167-Q169 PolarHBondContact O-N 3.24Å; T167-Q169 PolarHBondContact OG1-OE1 2.57Å; T167-Q169 VanDerWaalsContact OG1-OE1 3.05Å
170S74.6Confident65.5Low19 Ų1989.1 Ų89.113%0.13350%0.499CS..EExtended strand (participates in β ladder)trans-112.5138.3-170.5-69.40000111.8W163 A164 C168 A248W163-S170 CarbonylContact C-O 3.27Å; W163-S170 VanDerWaalsContact CA-O 3.26Å; W163-S170 WeakPolarHBondContact CA-O 3.48Å; W163-S170 VanDerWaalsContact CE3-C 3.48Å; A164-S170 PolarHBondContact N-O 3.19Å; A164-S170 WeakPolarHBondContact O-CA 3.46Å; A164-S170 WeakPolarHBondContact O-CB 3.3Å; A164-S170 PolarHBondContact O-N 2.99Å; A164-S170 VanDerWaalsContact O-O 3.04Å; C168-S170 VanDerWaalsContact C-N 3.33Å; S170-A248 WeakPolarHBondContact CB-O 3.34Å; S170-A248 PolarHBondContact OG-O 3.26Å
171P70.6Confident63.3Low57 Ų5794 Ų9437%0.3752%0.523SS..EExtended strand (participates in β ladder)trans-69.4140.6170.227.2-32.7000111.6G162 W163 P173 A248G162-P171 CarbonylContact O-C 3.41Å; G162-P171 WeakPolarHBondContact O-CA 3.5Å; W163-P171 HydrophobicContact CE3-CB 4.36Å; W163-P171 HydrophobicContact CZ3-CB 4.32Å; P171-P173 WeakPolarHBondContact O-CD 3.43Å; P171-A248 HydrophobicContact CG-CB 4.46Å
172V69.1Low61.5Low62 Ų6290.2 Ų90.238%0.37652%0.518SS..  trans-74.6119.5171.4178.80000108G162 W163 A164 T174G162-V172 PolarHBondContact O-N 2.65Å; W163-V172 VanDerWaalsContact C-CG2 3.44Å; W163-V172 VanDerWaalsContact O-CG2 3.31Å; W163-V172 WeakPolarHBondContact O-CG2 3.45Å; A164-V172 HydrophobicContact CB-CG2 3.5Å; V172-T174 PolarHBondContact O-N 2.81Å; V172-T174 VanDerWaalsContact O-N 3.12Å
173P52.7Low59.8Low92 Ų9293.9 Ų93.960%0.59754%0.539SS*.  trans-66.1114.9176.225-30.9000109.7P171 F175P171-P173 WeakPolarHBondContact O-CD 3.43Å; P173-F175 PolarHBondContact O-N 2.83Å
174T48.9Very low58Low131 Ų13195.4 Ų95.480%0.80456%0.563SS**  trans-76.327.217724.30000113.7V172 F176V172-T174 PolarHBondContact O-N 2.81Å; V172-T174 VanDerWaalsContact O-N 3.12Å; T174-F176 PolarHBondContact O-N 3.12Å
175F49.3Very low56.1Low158 Ų15898.3 Ų98.369%0.69359%0.587SS**  trans-105.571.8-165.4-135.2-86.7000114.1P173P173-F175 PolarHBondContact O-N 2.83Å
176F43.1Very low54.4Low208 Ų208102.8 Ų102.891%0.91261%0.607SS**  trans-143.973148.2-73.3-70.7000109.4T174T174-F176 PolarHBondContact O-N 3.12Å
177V34.3Very low52.7Low113 Ų113105.3 Ų105.369%0.68562%0.621SS**SBendtrans-106.2112.4144.7-175.60000105M179V177-M179 PolarHBondContact O-N 2.96Å
178T37.3Very low50.7Low125 Ų125109.3 Ų109.377%0.76765%0.65SS**  trans-38.1110.1166.234.20000110.7T180T178-T180 PolarHBondContact O-N 3.26Å
179M35.2Very low48.2Very low166 Ų166114.1 Ų114.182%0.81869%0.69SS**  trans-82.895.1161.9-72.8-67.2-107.100107.2V177 N181V177-M179 PolarHBondContact O-N 2.96Å; M179-N181 PolarHBondContact O-N 3.49Å
180T39.8Very low46.3Very low91 Ų91115.2 Ų115.256%0.55871%0.713SS**  trans-65.6107.9161.946.40000108.1T178 T182T178-T180 PolarHBondContact O-N 3.26Å; T180-T182 PolarHBondContact O-N 3.35Å
181N39Very low44.3Very low158 Ų158118 Ų11885%0.84574%0.737SS**  trans-78.4100.7163.5-102.6-11.7000108.4M179 S183M179-N181 PolarHBondContact O-N 3.49Å; N181-S183 PolarHBondContact O-N 3.26Å
182T41.6Very low42.9Very low135 Ų135120.6 Ų120.683%0.82876%0.764SS**  trans-75103.8162.641.30000108.8T180T180-T182 PolarHBondContact O-N 3.35Å
183S40.1Very low41.4Very low107 Ų107124 Ų12475%0.74878%0.779SS**  trans-114.8109.5159.149.60000109.2N181 A185N181-S183 PolarHBondContact O-N 3.26Å; S183-A185 PolarHBondContact O-N 3.19Å
184S44.4Very low40.9Very low121 Ų121124.4 Ų124.485%0.84678%0.784SS**  trans-61.8115.816549.90000109.5
185A37.3Very low40.9Very low97 Ų97123.4 Ų123.480%0.80278%0.78SS**  trans-121.899.1165.500000109.4S183 S187S183-A185 PolarHBondContact O-N 3.19Å; A185-S187 PolarHBondContact O-N 3.43Å
186T42.9Very low40.7Very low134 Ų134120.9 Ų120.982%0.82278%0.779SS**  trans-65.1117.4158.440.50000109.4
187S42.9Very low41Very low118 Ų118115.8 Ų115.883%0.82578%0.775SS**  159.1143.4123.351.60000112.5A185A185-S187 PolarHBondContact O-N 3.43Å
188S45.8Very low41.8Very low118 Ų118113.3 Ų113.383%0.82576%0.76SS**  trans-55.1138.5179.846.70000116.3
189A37Very low42.6Very low101 Ų101113.6 Ų113.684%0.83576%0.762SS**  -175.1133.2120.600000110.3
190A45.9Very low43.8Very low108 Ų108111.5 Ų111.589%0.89376%0.758SS**  trans-72.1130.2172.700000110.7
191A33.7Very low45.2Very low77 Ų77108.5 Ų108.564%0.63675%0.746SS**  trans-149.9114.315000000107.7I193A191-I193 HydrophobicContact CB-CD1 4.41Å; A191-I193 HydrophobicContact CB-CG1 4.19Å; A191-I193 PolarHBondContact O-N 2.61Å
192A41.1Very low46.9Very low113 Ų113105.2 Ų105.293%0.93473%0.733SS**  trans-66.587.6167.200000108.1
193I36.3Very low48.9Very low133 Ų133103 Ų10368%0.68271%0.712SS**  trans-94.1106.3166.3-60.9172.9000104.7A191A191-I193 HydrophobicContact CB-CD1 4.41Å; A191-I193 HydrophobicContact CB-CG1 4.19Å; A191-I193 PolarHBondContact O-N 2.61Å
194S42.1Very low51.1Low101 Ų101100 Ų10071%0.70669%0.689SS**  trans-41.5125160.735.70000108.4
195P49.6Very low53Low110 Ų11099.3 Ų99.371%0.71467%0.668SS**  trans-56.8131.7-172.621.3-30.6000108.3A197P195-A197 PolarHBondContact O-N 3.34Å
196P44.6Very low55.2Low105 Ų10598.8 Ų98.868%0.68266%0.656SS**  trans-55.3135.7165.626.6-30.6000105.4V198P196-V198 VanDerWaalsContact C-N 3.28Å; P196-V198 PolarHBondContact O-N 3.32Å
197A50.1Low57.1Low100 Ų10093.3 Ų93.383%0.82662%0.624SS**  trans-51.3100.8174.500000107.4P195 T199P195-A197 PolarHBondContact O-N 3.34Å; A197-T199 PolarHBondContact O-N 2.85Å; A197-T199 VanDerWaalsContact O-N 3.1Å
198V51.3Low59.1Low62 Ų6296.4 Ų96.438%0.37662%0.617SS.*  trans-54.6122.5173.4175.50000103.7P196 V200P196-V198 VanDerWaalsContact C-N 3.28Å; P196-V198 PolarHBondContact O-N 3.32Å; V198-V200 VanDerWaalsContact O-CG2 3.22Å; V198-V200 WeakPolarHBondContact O-CG2 3.43Å; V198-V200 PolarHBondContact O-N 3.32Å
199T53.9Low60.8Low130 Ų13093.5 Ų93.580%0.79860%0.596SS**  trans-59.795.317514.50000106.8A197 G201A197-T199 PolarHBondContact O-N 2.85Å; A197-T199 VanDerWaalsContact O-N 3.1Å; T199-G201 PolarHBondContact O-N 2.79Å
200V60Low63Low122 Ų12292.6 Ų92.674%0.73958%0.58SS**  trans-72.183179.9-172.20000106.5V198V198-V200 VanDerWaalsContact O-CG2 3.22Å; V198-V200 WeakPolarHBondContact O-CG2 3.43Å; V198-V200 PolarHBondContact O-N 3.32Å
201G69.4Low64.5Low29 Ų2995.3 Ų95.330%0.29958%0.575SS.*  trans-78.8161167.900000110.2T199 F203 V204T199-G201 PolarHBondContact O-N 2.79Å; G201-F203 PolarHBondContact O-N 2.92Å; G201-F203 VanDerWaalsContact O-N 3.1Å; G201-V204 PolarHBondContact O-N 2.67Å; G201-V204 VanDerWaalsContact O-O 3.11Å
202P75.2Confident66.5Low89 Ų8995.3 Ų95.358%0.57857%0.566SS**THydrogen-bonded Turntrans-58.3-25.1178.419.9-29.5000113.6P260P202-P260 HydrophobicContact CB-CG 4.16Å; P202-P260 VanDerWaalsContact O-CB 3.22Å; P202-P260 WeakPolarHBondContact O-CB 3.31Å; P202-P260 WeakPolarHBondContact O-CG 3.18Å
203F83Confident67.7Low89 Ų8999.2 Ų99.239%0.3957%0.565SS.*THydrogen-bonded Turntrans-106.18.6-176.8-59.6-77.9000114.3G201 D236 P260G201-F203 PolarHBondContact O-N 2.92Å; G201-F203 VanDerWaalsContact O-N 3.1Å; F203-D236 HydrophobicContact CB-CB 3.82Å; F203-D236 HydrophobicContact CD1-CB 3.99Å; F203-D236 WeakPolarHBondContact CD1-OD2 3.44Å; F203-D236 HydrophobicContact CG-CB 4.43Å; F203-D236 VanDerWaalsContact O-CB 3.25Å; F203-D236 WeakPolarHBondContact O-CB 3.46Å; F203-D236 PolarHBondContact O-N 3Å; F203-P260 HydrophobicContact CE1-CG 4.47Å
204V86.8Confident69.3Low42 Ų4296.6 Ų96.626%0.25557%0.571SS.*EExtended strand (participates in β ladder)trans-132.4129-178.8-176.40000109.6G201 C234 T235G201-V204 PolarHBondContact O-N 2.67Å; G201-V204 VanDerWaalsContact O-O 3.11Å; V204-C234 WeakPolarHBondContact CA-O 3.32Å; V204-T235 HydrophobicContact CG2-CG2 4.22Å
205R83.5Confident70.6Confident107 Ų10796 Ų9640%0.40456%0.563SS.*EExtended strand (participates in β ladder)trans-129.6153.5-179.9-66.7-172.5-173.2-96-2.3111.3Y224 C234R205-Y224 HydrophobicContact CB-CD1 4.46Å; R205-Y224 HydrophobicContact CB-CE1 4.37Å; R205-Y224 HydrophobicContact CG-CD1 4.4Å; R205-Y224 HydrophobicContact CG-CE1 3.84Å; R205-Y224 VanDerWaalsContact NE-CZ 3.26Å; R205-Y224 PolarHBondContact NE-OH 2.98Å; R205-C234 PolarHBondContact N-O 2.86Å; R205-C234 WeakPolarHBondContact O-CA 3.05Å; R205-C234 WeakPolarHBondContact O-CB 3.33Å; R205-C234 PolarHBondContact O-N 3.49Å
206P84.1Confident71.7Confident87 Ų8794.7 Ų94.757%0.56555%0.554SS**EExtended strand (participates in β ladder)trans-69.9143.1172.129-33.4000110.7
207S82.4Confident73.4Confident19 Ų1993.9 Ų93.913%0.13354%0.54CS..  trans-77.6155.3173.471.70000111.9C209 S231 T232 C234S207-C209 PolarHBondContact OG-SG 3.34Å; S207-S231 WeakPolarHBondContact CB-O 3.23Å; S207-S231 PolarHBondContact OG-O 3.49Å; S207-T232 PolarHBondContact N-O 2.96Å; S207-T232 VanDerWaalsContact OG-C 3.26Å; S207-T232 WeakPolarHBondContact OG-CA 3.45Å; S207-T232 PolarHBondContact OG-O 2.04Å; S207-C234 WeakPolarHBondContact CA-SG 3.32Å; S207-C234 WeakPolarHBondContact CB-SG 3.4Å
208R84.7Confident74.9Confident183 Ų18389.8 Ų89.869%0.69151%0.506SS*.EExtended strand (participates in β ladder)trans-97.5104174.3-60.1-175.2102-1456.2109.1C218 T219R208-C218 WeakPolarHBondContact O-CA 3.06Å; R208-T219 PolarHBondContact N-O 2.8Å; R208-T219 PolarHBondContact O-N 3Å; R208-T219 PolarHBondContact O-OG1 3.41Å
209C82.9Confident76.3Confident56 Ų5689.9 Ų89.938%0.37851%0.507SS..EExtended strand (participates in β ladder)trans-101.8137-178.1-58.70000112.7S207 T216 H217 C218S207-C209 PolarHBondContact OG-SG 3.34Å; C209-T216 HydrophobicContact CB-CG2 4.09Å; C209-H217 CarbonylContact C-O 3.56Å; C209-H217 WeakPolarHBondContact CA-O 3.47Å; C209-C218 HydrophobicContact CB-CB 4.11Å; C209-C218 WeakPolarHBondContact CB-SG 3.05Å; C209-C218 WeakPolarHBondContact SG-CB 3.26Å; C209-C218 CovalentContact SG-SG 2.03Å; C209-C218 PolarHBondContact SG-SG 2.79Å
210T81.9Confident77.7Confident82 Ų8285.2 Ų85.250%0.50348%0.479SS..EExtended strand (participates in β ladder)trans-127.6142.1172.556.20000109.6H217T210-H217 PolarHBondContact N-O 2.85Å; T210-H217 PolarHBondContact O-N 3.02Å
211Q78.4Confident78.8Confident166 Ų16683 Ų8378%0.77646%0.463SS*.EExtended strand (participates in β ladder)trans-88.2122.1172.5-80.7-169.2-1.700109.7
212V75Confident79.4Confident76 Ų7687.3 Ų87.346%0.46149%0.485SS..EExtended strand (participates in β ladder)trans-127.7117.4175.6-174.10000108.1G214 T215V212-G214 VanDerWaalsContact C-N 3.3Å; V212-G214 PolarHBondContact O-N 3.23Å; V212-G214 VanDerWaalsContact O-N 3.17Å; V212-T215 PolarHBondContact N-O 3.47Å; V212-T215 PolarHBondContact O-N 3.42Å; V212-T215 PolarHBondContact O-OG1 3.21Å
213Q67.1Low79.5Confident195 Ų19584 Ų8491%0.91147%0.467SS*.THydrogen-bonded Turntrans51.340.1174.5-61.2-178.4-13.700114.9T215Q213-T215 VanDerWaalsContact C-N 3.31Å; Q213-T215 PolarHBondContact O-N 2.93Å
214G69.4Low79.5Confident79 Ų7980.6 Ų80.681%0.81445%0.452SS*.THydrogen-bonded Turntrans81.25.1179.600000115.1V212V212-G214 VanDerWaalsContact C-N 3.3Å; V212-G214 PolarHBondContact O-N 3.23Å; V212-G214 VanDerWaalsContact O-N 3.17Å
215T68.9Low79.4Confident88 Ų8882 Ų8254%0.5446%0.461SS..EExtended strand (participates in β ladder)trans-113.8142.1172.766.10000110.8V212 Q213V212-T215 PolarHBondContact N-O 3.47Å; V212-T215 PolarHBondContact O-N 3.42Å; V212-T215 PolarHBondContact O-OG1 3.21Å; Q213-T215 VanDerWaalsContact C-N 3.31Å; Q213-T215 PolarHBondContact O-N 2.93Å
216T73.9Confident79.4Confident83 Ų8380 Ų8051%0.50946%0.458SS..EExtended strand (participates in β ladder)trans-93.2112.6177.7-53.90000109C209C209-T216 HydrophobicContact CB-CG2 4.09Å
217H79Confident78.6Confident87 Ų8777.5 Ų77.540%0.40344%0.442SS..EExtended strand (participates in β ladder)trans-103.1113.8176.9-175.7-90.5000110C209 T210 T219C209-H217 CarbonylContact C-O 3.56Å; C209-H217 WeakPolarHBondContact CA-O 3.47Å; T210-H217 PolarHBondContact N-O 2.85Å; T210-H217 PolarHBondContact O-N 3.02Å; H217-T219 WeakPolarHBondContact CE1-CG2 3.48Å
218C82.3Confident77.8Confident14 Ų1480 Ų8010%0.09547%0.47CS..EExtended strand (participates in β ladder)trans-108.8135.9179-57.70000110.7R208 C209 S231R208-C218 WeakPolarHBondContact O-CA 3.06Å; C209-C218 HydrophobicContact CB-CB 4.11Å; C209-C218 WeakPolarHBondContact CB-SG 3.05Å; C209-C218 WeakPolarHBondContact SG-CB 3.26Å; C209-C218 CovalentContact SG-SG 2.03Å; C209-C218 PolarHBondContact SG-SG 2.79Å; C218-S231 WeakPolarHBondContact CB-O 3.47Å; C218-S231 VanDerWaalsContact SG-CB 3.54Å; C218-S231 PolarHBondContact SG-O 2.72Å
219T81.4Confident76.4Confident65 Ų6583.2 Ų83.240%0.39948%0.483SS..EExtended strand (participates in β ladder)trans-121.2151.217557.20000110.9R208 H217R208-T219 PolarHBondContact N-O 2.8Å; R208-T219 PolarHBondContact O-N 3Å; R208-T219 PolarHBondContact O-OG1 3.41Å; H217-T219 WeakPolarHBondContact CE1-CG2 3.48Å
220C83.1Confident75.5Confident32 Ų3285.7 Ų85.722%0.21649%0.492CS..  trans-104.1156.6171.6-64.80000110.2I226 C234C220-I226 VanDerWaalsContact SG-CG1 3.5Å; C220-C234 WeakPolarHBondContact CA-SG 3.41Å; C220-C234 HydrophobicContact CB-CB 3.79Å; C220-C234 WeakPolarHBondContact CB-SG 3.34Å; C220-C234 WeakPolarHBondContact SG-CB 3.38Å; C220-C234 CovalentContact SG-SG 2.03Å; C220-C234 PolarHBondContact SG-SG 3.08Å
221D83.2Confident74.9Confident75 Ų7584.2 Ų84.240%0.40149%0.485SS..  trans-62.7155.4168.9-68-26.6000110.2G223 Y224D221-G223 PolarHBondContact O-N 2.95Å; D221-Y224 HydrophobicContact CB-CD2 4.26Å; D221-Y224 WeakPolarHBondContact O-CB 3.43Å; D221-Y224 PolarHBondContact O-N 3.45Å; D221-Y224 VanDerWaalsContact O-N 3.11Å
222P81.3Confident74.7Confident119 Ų11980.4 Ų80.477%0.77347%0.473SS*.THydrogen-bonded Turntrans-52.8137.8175.3-25.134.6000111.9
223G76.3Confident75.1Confident19 Ų1978.3 Ų78.320%0.19646%0.461CS..THydrogen-bonded Turntrans84.93-175.900000114.6D221 I237D221-G223 PolarHBondContact O-N 2.95Å; G223-I237 WeakPolarHBondContact O-CB 3.4Å; G223-I237 WeakPolarHBondContact O-CG1 3.31Å; G223-I237 PolarHBondContact O-N 2.81Å
224Y84.8Confident76Confident18 Ų1869 Ų697%0.07142%0.418CS..EExtended strand (participates in β ladder)trans-123.5151.2176.5-67.4-99.5000111.9R205 D221 C234 T235 D236 P260 G261R205-Y224 HydrophobicContact CB-CD1 4.46Å; R205-Y224 HydrophobicContact CB-CE1 4.37Å; R205-Y224 HydrophobicContact CG-CD1 4.4Å; R205-Y224 HydrophobicContact CG-CE1 3.84Å; R205-Y224 VanDerWaalsContact NE-CZ 3.26Å; R205-Y224 PolarHBondContact NE-OH 2.98Å; D221-Y224 HydrophobicContact CB-CD2 4.26Å; D221-Y224 WeakPolarHBondContact O-CB 3.43Å; D221-Y224 PolarHBondContact O-N 3.45Å; D221-Y224 VanDerWaalsContact O-N 3.11Å; Y224-C234 HydrophobicContact CD1-CB 4.41Å; Y224-T235 CarbonylContact C-O 3.57Å; Y224-T235 WeakPolarHBondContact CA-O 3.11Å; Y224-D236 VanDerWaalsContact CD1-CA 3.44Å; Y224-D236 HydrophobicContact CD1-CB 4.07Å; Y224-D236 VanDerWaalsContact CD1-N 3.28Å; Y224-D236 HydrophobicContact CE1-CB 3.73Å; Y224-P260 WeakPolarHBondContact OH-CA 3.11Å; Y224-P260 WeakPolarHBondContact OH-CB 3.25Å; Y224-G261 PolarHBondContact OH-N 3.2Å
225T84Confident76.8Confident73 Ų7367.7 Ų67.745%0.44839%0.394SS..EExtended strand (participates in β ladder)trans-126.7152.4177.4-170.60000111.5S227 C234 T235 I237T225-S227 PolarHBondContact O-N 3.45Å; T225-C234 CarbonylContact O-C 3.51Å; T225-C234 WeakPolarHBondContact O-CA 3.33Å; T225-T235 PolarHBondContact N-O 3.38Å; T225-T235 PolarHBondContact O-N 3.34Å; T225-T235 PolarHBondContact O-OG1 2.81Å; T225-I237 HydrophobicContact CG2-CG1 3.96Å
226I82.9Confident77.7Confident65 Ų6564.4 Ų64.433%0.33337%0.373SS..EExtended strand (participates in β ladder)trans-70.6126.7179-62.2174000109.2C220 G228 D230C220-I226 VanDerWaalsContact SG-CG1 3.5Å; I226-G228 PolarHBondContact O-N 2.86Å; I226-D230 VanDerWaalsContact CG2-O 3.27Å; I226-D230 WeakPolarHBondContact CG2-O 3.38Å
227S68.4Low78.2Confident33 Ų3362.5 Ų62.523%0.23136%0.359CS..  trans-82.6102.3-177-45.90000111.6T225 T233 T235T225-S227 PolarHBondContact O-N 3.45Å; S227-T233 PolarHBondContact N-O 3.3Å; S227-T233 VanDerWaalsContact N-O 3.13Å; S227-T235 VanDerWaalsContact OG-CB 3.23Å; S227-T235 WeakPolarHBondContact OG-CB 3.47Å; S227-T235 WeakPolarHBondContact OG-CG2 3.44Å; S227-T235 PolarHBondContact OG-N 2.85Å; S227-T235 PolarHBondContact OG-OG1 2.03Å
228G64.4Low78.5Confident71 Ų7160.5 Ų60.573%0.73235%0.351SS*.THydrogen-bonded Turntrans65.9-147170.500000114.2I226 D230I226-G228 PolarHBondContact O-N 2.86Å; G228-D230 VanDerWaalsContact C-N 3.25Å; G228-D230 PolarHBondContact O-N 3.04Å
229R56.7Low78.7Confident251 Ų25161 Ų6195%0.94735%0.353SS*.THydrogen-bonded Turntrans-77.6-9.4-171.2-152.4-177.1-80.7-147.9-0.6113.3
230D62.9Low78.8Confident108 Ų10858.4 Ų58.458%0.57834%0.337SS*.  trans-97123.2-177.3-63.1-30.8000110.1I226 G228 T232I226-D230 VanDerWaalsContact CG2-O 3.27Å; I226-D230 WeakPolarHBondContact CG2-O 3.38Å; G228-D230 VanDerWaalsContact C-N 3.25Å; G228-D230 PolarHBondContact O-N 3.04Å; D230-T232 VanDerWaalsContact C-N 3.26Å; D230-T232 PolarHBondContact O-N 2.99Å
231S69.1Low78.8Confident51 Ų5164.1 Ų64.136%0.35736%0.36SS..THydrogen-bonded Turntrans-83.31.9-175.660.90000113.9S207 C218S207-S231 WeakPolarHBondContact CB-O 3.23Å; S207-S231 PolarHBondContact OG-O 3.49Å; C218-S231 WeakPolarHBondContact CB-O 3.47Å; C218-S231 VanDerWaalsContact SG-CB 3.54Å; C218-S231 PolarHBondContact SG-O 2.72Å
232T74.6Confident78.5Confident86 Ų8665.9 Ų65.953%0.52837%0.369SS..THydrogen-bonded Turntrans-98.5-13-169.255.20000114.4S207 D230S207-T232 PolarHBondContact N-O 2.96Å; S207-T232 VanDerWaalsContact OG-C 3.26Å; S207-T232 WeakPolarHBondContact OG-CA 3.45Å; S207-T232 PolarHBondContact OG-O 2.04Å; D230-T232 VanDerWaalsContact C-N 3.26Å; D230-T232 PolarHBondContact O-N 2.99Å
233T84.2Confident78.1Confident32 Ų3263.5 Ų63.520%0.19635%0.347CS..EExtended strand (participates in β ladder)trans-123.1135-175.451.50000111.7S227S227-T233 PolarHBondContact N-O 3.3Å; S227-T233 VanDerWaalsContact N-O 3.13Å
234C85.8Confident77.6Confident1 Ų168.2 Ų68.21%0.00736%0.363CS..EExtended strand (participates in β ladder)trans-112118.1175.8-64.60000108.8V204 R205 S207 C220 Y224 T225V204-C234 WeakPolarHBondContact CA-O 3.32Å; R205-C234 PolarHBondContact N-O 2.86Å; R205-C234 WeakPolarHBondContact O-CA 3.05Å; R205-C234 WeakPolarHBondContact O-CB 3.33Å; R205-C234 PolarHBondContact O-N 3.49Å; S207-C234 WeakPolarHBondContact CA-SG 3.32Å; S207-C234 WeakPolarHBondContact CB-SG 3.4Å; C220-C234 WeakPolarHBondContact CA-SG 3.41Å; C220-C234 HydrophobicContact CB-CB 3.79Å; C220-C234 WeakPolarHBondContact CB-SG 3.34Å; C220-C234 WeakPolarHBondContact SG-CB 3.38Å; C220-C234 CovalentContact SG-SG 2.03Å; C220-C234 PolarHBondContact SG-SG 3.08Å; Y224-C234 HydrophobicContact CD1-CB 4.41Å; T225-C234 CarbonylContact O-C 3.51Å; T225-C234 WeakPolarHBondContact O-CA 3.33Å
235T85.7Confident76.2Confident50 Ų5076 Ų7631%0.30740%0.403SS..EExtended strand (participates in β ladder)trans-92.6139.9169.539.60000110.2V204 Y224 T225 S227V204-T235 HydrophobicContact CG2-CG2 4.22Å; Y224-T235 CarbonylContact C-O 3.57Å; Y224-T235 WeakPolarHBondContact CA-O 3.11Å; T225-T235 PolarHBondContact N-O 3.38Å; T225-T235 PolarHBondContact O-N 3.34Å; T225-T235 PolarHBondContact O-OG1 2.81Å; S227-T235 VanDerWaalsContact OG-CB 3.23Å; S227-T235 WeakPolarHBondContact OG-CB 3.47Å; S227-T235 WeakPolarHBondContact OG-CG2 3.44Å; S227-T235 PolarHBondContact OG-N 2.85Å; S227-T235 PolarHBondContact OG-OG1 2.03Å
236D86.9Confident74.4Confident19 Ų1974.5 Ų74.510%0.10240%0.402CS..EExtended strand (participates in β ladder)trans-53.7139.9171.8-172.372.5000111.1F203 Y224 D238 N258 G261F203-D236 HydrophobicContact CB-CB 3.82Å; F203-D236 HydrophobicContact CD1-CB 3.99Å; F203-D236 WeakPolarHBondContact CD1-OD2 3.44Å; F203-D236 HydrophobicContact CG-CB 4.43Å; F203-D236 VanDerWaalsContact O-CB 3.25Å; F203-D236 WeakPolarHBondContact O-CB 3.46Å; F203-D236 PolarHBondContact O-N 3Å; Y224-D236 VanDerWaalsContact CD1-CA 3.44Å; Y224-D236 HydrophobicContact CD1-CB 4.07Å; Y224-D236 VanDerWaalsContact CD1-N 3.28Å; Y224-D236 HydrophobicContact CE1-CB 3.73Å; D236-D238 PolarHBondContact O-N 2.82Å; D236-N258 PolarHBondContact OD2-ND2 2.76Å; D236-N258 PolarHBondContact OD2-OD1 3Å; D236-G261 WeakPolarHBondContact OD1-CA 3.44Å; D236-G261 PolarHBondContact OD1-N 2.79Å
237I84.9Confident72.6Confident43 Ų4381.3 Ų81.322%0.22143%0.432CS..  trans-86.2109.5173.4-62.9172.4000106.7G223 T225 E239 L242G223-I237 WeakPolarHBondContact O-CB 3.4Å; G223-I237 WeakPolarHBondContact O-CG1 3.31Å; G223-I237 PolarHBondContact O-N 2.81Å; T225-I237 HydrophobicContact CG2-CG1 3.96Å; I237-E239 HydrophobicContact CG2-CG 4.36Å; I237-E239 PolarHBondContact O-N 2.78Å; I237-L242 HydrophobicContact CG2-CD1 3.29Å; I237-L242 HydrophobicContact CG2-CG 4.41Å
238D84.8Confident71.6Confident46 Ų4681.4 Ų81.425%0.24644%0.435CS..  trans-7392.8174-163.6-45.5000110.1D236 C240 E241 L242 N258D236-D238 PolarHBondContact O-N 2.82Å; D238-C240 PolarHBondContact O-N 2.78Å; D238-C240 WeakPolarHBondContact OD1-CA 3.23Å; D238-C240 WeakPolarHBondContact OD1-CB 3.23Å; D238-C240 PolarHBondContact OD1-N 3.33Å; D238-E241 HydrophobicContact CB-CB 4.18Å; D238-E241 HydrophobicContact CB-CG 4.25Å; D238-E241 PolarHBondContact O-N 2.62Å; D238-E241 PolarHBondContact OD1-N 3Å; D238-L242 WeakPolarHBondContact O-CG 3.29Å; D238-L242 PolarHBondContact O-N 2.64Å; D238-L242 VanDerWaalsContact O-N 3.07Å; D238-N258 VanDerWaalsContact CG-ND2 3.29Å; D238-N258 WeakPolarHBondContact OD2-CB 3.44Å; D238-N258 PolarHBondContact OD2-ND2 3.27Å
239E86.2Confident71.2Confident25 Ų2579.7 Ų79.712%0.11742%0.417CS..Hα-helixtrans-66.6-25.2179-56.593.3168.600111.7I237 F243 L251 G262 Y263I237-E239 HydrophobicContact CG2-CG 4.36Å; I237-E239 PolarHBondContact O-N 2.78Å; E239-F243 HydrophobicContact CB-CD2 4.12Å; E239-F243 HydrophobicContact CB-CE2 4.35Å; E239-F243 WeakPolarHBondContact O-CB 3.31Å; E239-F243 VanDerWaalsContact O-CD2 3.24Å; E239-F243 WeakPolarHBondContact O-CD2 3.26Å; E239-F243 PolarHBondContact O-N 2.86Å; E239-L251 HydrophobicContact CB-CD2 3.83Å; E239-G262 WeakPolarHBondContact OE1-CA 3.4Å; E239-G262 WeakPolarHBondContact OE2-CA 3.43Å; E239-Y263 HydrophobicContact CB-CD1 3.69Å; E239-Y263 HydrophobicContact CB-CE1 4.37Å; E239-Y263 HydrophobicContact CB-CG 4.24Å; E239-Y263 HydrophobicContact CG-CD1 3.94Å; E239-Y263 PolarHBondContact OE2-N 3.49Å
240C84.1Confident71.7Confident10 Ų1075.6 Ų75.67%0.06840%0.402CS..Hα-helixtrans-64.7-47.5175.7-58.30000110.1D238 H244 C256 V257 N258D238-C240 PolarHBondContact O-N 2.78Å; D238-C240 WeakPolarHBondContact OD1-CA 3.23Å; D238-C240 WeakPolarHBondContact OD1-CB 3.23Å; D238-C240 PolarHBondContact OD1-N 3.33Å; C240-H244 WeakPolarHBondContact O-CA 3.47Å; C240-H244 WeakPolarHBondContact O-CB 3.28Å; C240-H244 PolarHBondContact O-CD2 2.92Å; C240-H244 PolarHBondContact O-N 2.85Å; C240-C256 WeakPolarHBondContact CA-SG 3.38Å; C240-C256 HydrophobicContact CB-CB 3.7Å; C240-C256 WeakPolarHBondContact CB-SG 3.31Å; C240-C256 WeakPolarHBondContact SG-CB 3.43Å; C240-C256 CovalentContact SG-SG 2.04Å; C240-C256 PolarHBondContact SG-SG 2.81Å; C240-V257 VanDerWaalsContact SG-C 3.5Å; C240-V257 PolarHBondContact SG-N 2.77Å; C240-N258 PolarHBondContact SG-N 3.21Å
241E83.8Confident72.3Confident151 Ų15171.2 Ų71.271%0.70638%0.378SS*.Hα-helixtrans-65.6-41.5176.2-70.4-166.8164.200112.6D238 F243 H244D238-E241 HydrophobicContact CB-CB 4.18Å; D238-E241 HydrophobicContact CB-CG 4.25Å; D238-E241 PolarHBondContact O-N 2.62Å; D238-E241 PolarHBondContact OD1-N 3Å; E241-F243 VanDerWaalsContact C-N 3.34Å; E241-F243 PolarHBondContact O-N 2.66Å; E241-H244 PolarHBondContact O-N 3.35Å
242L77.6Confident72.8Confident113 Ų11369 Ų6959%0.59236%0.362SS*.Hα-helixtrans-61.9-39.5-179.5-73.3-179.2000113.2I237 D238I237-L242 HydrophobicContact CG2-CD1 3.29Å; I237-L242 HydrophobicContact CG2-CG 4.41Å; D238-L242 WeakPolarHBondContact O-CG 3.29Å; D238-L242 PolarHBondContact O-N 2.64Å; D238-L242 VanDerWaalsContact O-N 3.07Å
243F72.6Confident73.1Confident68 Ų6867.3 Ų67.330%0.29835%0.35SS..Hα-helixtrans-1031.9-176.1-65.3-77.1000113.6E239 E241 M245 L251E239-F243 HydrophobicContact CB-CD2 4.12Å; E239-F243 HydrophobicContact CB-CE2 4.35Å; E239-F243 WeakPolarHBondContact O-CB 3.31Å; E239-F243 VanDerWaalsContact O-CD2 3.24Å; E239-F243 WeakPolarHBondContact O-CD2 3.26Å; E239-F243 PolarHBondContact O-N 2.86Å; E241-F243 VanDerWaalsContact C-N 3.34Å; E241-F243 PolarHBondContact O-N 2.66Å; F243-M245 VanDerWaalsContact C-N 3.28Å; F243-M245 PolarHBondContact O-N 2.87Å; F243-L251 HydrophobicContact CB-CB 3.69Å; F243-L251 HydrophobicContact CB-CD2 4.21Å; F243-L251 HydrophobicContact CB-CG 4.37Å; F243-L251 HydrophobicContact CD2-CD1 4.01Å; F243-L251 HydrophobicContact CD2-CD2 3.91Å; F243-L251 HydrophobicContact CD2-CG 4.41Å; F243-L251 HydrophobicContact CE2-CD1 4.46Å; F243-L251 HydrophobicContact CG-CB 4.31Å; F243-L251 HydrophobicContact CG-CD1 4.23Å; F243-L251 HydrophobicContact CG-CD2 4.39Å
244H65.2Low72.9Confident118 Ų11869.2 Ų69.255%0.54636%0.357SS..SBendtrans-67.2-25.5179.9-125.9-86.8000113.6C240 E241C240-H244 WeakPolarHBondContact O-CA 3.47Å; C240-H244 WeakPolarHBondContact O-CB 3.28Å; C240-H244 PolarHBondContact O-CD2 2.92Å; C240-H244 PolarHBondContact O-N 2.85Å; E241-H244 PolarHBondContact O-N 3.35Å
245M54.7Low72.8Confident182 Ų18271 Ų7190%0.89737%0.371SS*.SBendtrans-130.58-170-62.5-62.3-131.100114.5F243F243-M245 VanDerWaalsContact C-N 3.28Å; F243-M245 PolarHBondContact O-N 2.87Å
246G47.5Very low72.9Confident42 Ų4269.9 Ų69.943%0.43337%0.365SS..  trans-85.8147.6-172.600000114.7A248G246-A248 PolarHBondContact O-N 3.25Å
247Q45Very low73.1Confident208 Ų20871.3 Ų71.397%0.97238%0.375SS*.THydrogen-bonded Turntrans-60.9-5.4168.7-73.5177.3-25.900113.9G249Q247-G249 VanDerWaalsContact C-N 3.31Å; Q247-G249 PolarHBondContact O-N 3.25Å
248A46.7Very low73.2Confident35 Ų3570.6 Ų70.629%0.28937%0.371SS..THydrogen-bonded Turntrans-857.8-17700000114.8S170 P171 G246S170-A248 WeakPolarHBondContact CB-O 3.34Å; S170-A248 PolarHBondContact OG-O 3.26Å; P171-A248 HydrophobicContact CG-CB 4.46Å; G246-A248 PolarHBondContact O-N 3.25Å
249G55.9Low73.4Confident35 Ų3570 Ų7036%0.36137%0.369SS..  trans82.8155.1-176.800000112.4Q247Q247-G249 VanDerWaalsContact C-N 3.31Å; Q247-G249 PolarHBondContact O-N 3.25Å
250R67.1Low73.4Confident164 Ų16471.6 Ų71.662%0.61938%0.382SS*.  trans-70.1128.2-173.9-150.3178.3171.4174.6-5.2110C252 H254R250-C252 VanDerWaalsContact C-N 3.3Å; R250-C252 WeakPolarHBondContact CD-O 3.46Å; R250-C252 VanDerWaalsContact CG-O 3.26Å; R250-C252 WeakPolarHBondContact CG-O 3.29Å; R250-C252 PolarHBondContact O-N 2.71Å; R250-H254 PolarHBondContact NH2-O 3.18Å
251L76.5Confident73.3Confident17 Ų1772.5 Ų72.59%0.08939%0.393CS..SBendtrans-58.4-40.6-177.8-173.363.5000113.4E239 F243 Y263E239-L251 HydrophobicContact CB-CD2 3.83Å; F243-L251 HydrophobicContact CB-CB 3.69Å; F243-L251 HydrophobicContact CB-CD2 4.21Å; F243-L251 HydrophobicContact CB-CG 4.37Å; F243-L251 HydrophobicContact CD2-CD1 4.01Å; F243-L251 HydrophobicContact CD2-CD2 3.91Å; F243-L251 HydrophobicContact CD2-CG 4.41Å; F243-L251 HydrophobicContact CE2-CD1 4.46Å; F243-L251 HydrophobicContact CG-CB 4.31Å; F243-L251 HydrophobicContact CG-CD1 4.23Å; F243-L251 HydrophobicContact CG-CD2 4.39Å; L251-Y263 HydrophobicContact CD1-CE1 4Å; L251-Y263 HydrophobicContact CD1-CE2 3.95Å; L251-Y263 VanDerWaalsContact CD1-OH 3.31Å; L251-Y263 WeakPolarHBondContact CD1-OH 3.3Å; L251-Y263 HydrophobicContact CD2-CD1 3.83Å; L251-Y263 HydrophobicContact CD2-CD2 3.59Å; L251-Y263 HydrophobicContact CD2-CE1 3.81Å; L251-Y263 HydrophobicContact CD2-CE2 3.57Å; L251-Y263 HydrophobicContact CD2-CG 3.74Å; L251-Y263 HydrophobicContact CG-CD2 4Å; L251-Y263 HydrophobicContact CG-CE1 4.18Å; L251-Y263 HydrophobicContact CG-CE2 3.47Å; L251-Y263 VanDerWaalsContact CG-CE2 3.47Å
252C79.6Confident73.5Confident3 Ų366 Ų662%0.0237%0.367CS..SBendtrans-119.1144.6174.5-61.30000108.7R250 H254 C256 C265R250-C252 VanDerWaalsContact C-N 3.3Å; R250-C252 WeakPolarHBondContact CD-O 3.46Å; R250-C252 VanDerWaalsContact CG-O 3.26Å; R250-C252 WeakPolarHBondContact CG-O 3.29Å; R250-C252 PolarHBondContact O-N 2.71Å; C252-H254 PolarHBondContact O-N 2.85Å; C252-C256 HydrophobicContact CB-CB 4.3Å; C252-C265 WeakPolarHBondContact CA-SG 3.45Å; C252-C265 HydrophobicContact CB-CB 3.6Å; C252-C265 WeakPolarHBondContact CB-SG 3.48Å; C252-C265 WeakPolarHBondContact SG-CA 3.27Å; C252-C265 WeakPolarHBondContact SG-CB 3.41Å; C252-C265 CovalentContact SG-SG 2.03Å; C252-C265 PolarHBondContact SG-SG 2.71Å
253L79.1Confident74Confident51 Ų5163.6 Ų63.627%0.26735%0.35SS..SBendtrans-57.6-41.4174.6-178.566.3000111.2R278 N279 C280 F447L253-R278 PolarHBondContact N-O 2.03Å; L253-N279 HydrophobicContact CD2-CB 4.42Å; L253-C280 HydrophobicContact CD2-CB 3.98Å; L253-F447 HydrophobicContact CD2-CD1 4.36Å
254H80.1Confident74.6Confident73 Ų7366.7 Ų66.734%0.33836%0.36SS..SBendtrans-116-103.9-179.1-155.983000113.6R250 C252 P268 Y445R250-H254 PolarHBondContact NH2-O 3.18Å; C252-H254 PolarHBondContact O-N 2.85Å; H254-P268 HydrophobicContact CB-CG 4.39Å; H254-Y445 AromaticContact CE1-CE1 3.98Å
255A85.6Confident75.7Confident38 Ų3861.6 Ų61.631%0.31434%0.337SS..EExtended strand (participates in β ladder)trans-98.4135.5-175.700000110.7C265 T266A255-C265 WeakPolarHBondContact O-CA 3.37Å; A255-T266 WeakPolarHBondContact CB-OG1 3.45Å; A255-T266 PolarHBondContact N-O 2.84Å; A255-T266 PolarHBondContact O-N 3.36Å; A255-T266 PolarHBondContact O-OG1 2.95Å
256C87.5Confident77.3Confident27 Ų2755.1 Ų55.118%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-102.8133.4172.2-174.50000108.9C240 C252C240-C256 WeakPolarHBondContact CA-SG 3.38Å; C240-C256 HydrophobicContact CB-CB 3.7Å; C240-C256 WeakPolarHBondContact CB-SG 3.31Å; C240-C256 WeakPolarHBondContact SG-CB 3.43Å; C240-C256 CovalentContact SG-SG 2.04Å; C240-C256 PolarHBondContact SG-SG 2.81Å; C252-C256 HydrophobicContact CB-CB 4.3Å
257V90Very high79.3Confident48 Ų4854.5 Ų54.529%0.29130%0.297SS..EExtended strand (participates in β ladder)trans-120.2117.1174.8-177.20000108.4C240 R264 T266C240-V257 VanDerWaalsContact SG-C 3.5Å; C240-V257 PolarHBondContact SG-N 2.77Å; V257-R264 HydrophobicContact CB-CG 4.12Å; V257-R264 PolarHBondContact N-O 2.77Å; V257-R264 PolarHBondContact O-N 2.99Å; V257-T266 HydrophobicContact CG2-CG2 3.86Å
258N87.1Confident81.4Confident29 Ų2945.4 Ų45.416%0.15526%0.256CS..EExtended strand (participates in β ladder)trans-66.5140.2176.2-17123.7000110.4D236 D238 C240 G262D236-N258 PolarHBondContact OD2-ND2 2.76Å; D236-N258 PolarHBondContact OD2-OD1 3Å; D238-N258 VanDerWaalsContact CG-ND2 3.29Å; D238-N258 WeakPolarHBondContact OD2-CB 3.44Å; D238-N258 PolarHBondContact OD2-ND2 3.27Å; C240-N258 PolarHBondContact SG-N 3.21Å; N258-G262 PolarHBondContact OD1-O 2.69Å
259T89.4Confident83.4Confident32 Ų3248 Ų4820%0.19628%0.277CS..EExtended strand (participates in β ladder)trans-134.4157.4179.450.90000110.6G261 G262 Y263 R264T259-G261 PolarHBondContact O-N 3.37Å; T259-G262 CarbonylContact C-O 3.56Å; T259-G262 VanDerWaalsContact C-O 3.27Å; T259-G262 VanDerWaalsContact CA-O 3.27Å; T259-G262 WeakPolarHBondContact CA-O 3.4Å; T259-G262 WeakPolarHBondContact CB-O 3.46Å; T259-G262 PolarHBondContact N-O 3.36Å; T259-G262 CarbonylContact O-C 3.55Å; T259-G262 PolarHBondContact O-N 3.02Å; T259-G262 VanDerWaalsContact O-N 3.09Å; T259-G262 PolarHBondContact OG1-O 3.17Å; T259-Y263 PolarHBondContact OG1-N 2.59Å; T259-R264 HydrophobicContact CG2-CG 4.26Å
260P86.8Confident85Confident60 Ų6047.1 Ų47.139%0.3927%0.269SS..THydrogen-bonded Turntrans-56.9112.3175.1-28.538.5000112.7P202 F203 Y224P202-P260 HydrophobicContact CB-CG 4.16Å; P202-P260 VanDerWaalsContact O-CB 3.22Å; P202-P260 WeakPolarHBondContact O-CB 3.31Å; P202-P260 WeakPolarHBondContact O-CG 3.18Å; F203-P260 HydrophobicContact CE1-CG 4.47Å; Y224-P260 WeakPolarHBondContact OH-CA 3.11Å; Y224-P260 WeakPolarHBondContact OH-CB 3.25Å
261G82.3Confident86.1Confident29 Ų2940 Ų4030%0.29924%0.242SC..THydrogen-bonded Turntrans81.714.7178.700000115Y224 D236 T259Y224-G261 PolarHBondContact OH-N 3.2Å; D236-G261 WeakPolarHBondContact OD1-CA 3.44Å; D236-G261 PolarHBondContact OD1-N 2.79Å; T259-G261 PolarHBondContact O-N 3.37Å
262G86.9Confident86.7Confident15 Ų1544 Ų4416%0.15526%0.263CS..EExtended strand (participates in β ladder)trans170.9-165.1-179.200000113.7E239 N258 T259E239-G262 WeakPolarHBondContact OE1-CA 3.4Å; E239-G262 WeakPolarHBondContact OE2-CA 3.43Å; N258-G262 PolarHBondContact OD1-O 2.69Å; T259-G262 CarbonylContact C-O 3.56Å; T259-G262 VanDerWaalsContact C-O 3.27Å; T259-G262 VanDerWaalsContact CA-O 3.27Å; T259-G262 WeakPolarHBondContact CA-O 3.4Å; T259-G262 WeakPolarHBondContact CB-O 3.46Å; T259-G262 PolarHBondContact N-O 3.36Å; T259-G262 CarbonylContact O-C 3.55Å; T259-G262 PolarHBondContact O-N 3.02Å; T259-G262 VanDerWaalsContact O-N 3.09Å; T259-G262 PolarHBondContact OG1-O 3.17Å
263Y88.1Confident87.2Confident62 Ų6246.9 Ų46.924%0.24328%0.281CS..EExtended strand (participates in β ladder)trans-133163.917767.9-78.8000111.1E239 L251 T259 R278E239-Y263 HydrophobicContact CB-CD1 3.69Å; E239-Y263 HydrophobicContact CB-CE1 4.37Å; E239-Y263 HydrophobicContact CB-CG 4.24Å; E239-Y263 HydrophobicContact CG-CD1 3.94Å; E239-Y263 PolarHBondContact OE2-N 3.49Å; L251-Y263 HydrophobicContact CD1-CE1 4Å; L251-Y263 HydrophobicContact CD1-CE2 3.95Å; L251-Y263 VanDerWaalsContact CD1-OH 3.31Å; L251-Y263 WeakPolarHBondContact CD1-OH 3.3Å; L251-Y263 HydrophobicContact CD2-CD1 3.83Å; L251-Y263 HydrophobicContact CD2-CD2 3.59Å; L251-Y263 HydrophobicContact CD2-CE1 3.81Å; L251-Y263 HydrophobicContact CD2-CE2 3.57Å; L251-Y263 HydrophobicContact CD2-CG 3.74Å; L251-Y263 HydrophobicContact CG-CD2 4Å; L251-Y263 HydrophobicContact CG-CE1 4.18Å; L251-Y263 HydrophobicContact CG-CE2 3.47Å; L251-Y263 VanDerWaalsContact CG-CE2 3.47Å; T259-Y263 PolarHBondContact OG1-N 2.59Å; Y263-R278 PolarHBondContact OH-NE 2.64Å; Y263-R278 PolarHBondContact OH-NH2 2.95Å
264R86Confident87.6Confident132 Ų13246.3 Ų46.350%0.49828%0.279SS..EExtended strand (participates in β ladder)trans-130.3141.6164.670.4-178.5-172.4-77.60.9110.9V257 T259V257-R264 HydrophobicContact CB-CG 4.12Å; V257-R264 PolarHBondContact N-O 2.77Å; V257-R264 PolarHBondContact O-N 2.99Å; T259-R264 HydrophobicContact CG2-CG 4.26Å
265C88Confident87.8Confident11 Ų1155.4 Ų55.47%0.07431%0.311CS..EExtended strand (participates in β ladder)trans-84.5142.9170.6-55.30000110.3C252 A255 G277C252-C265 WeakPolarHBondContact CA-SG 3.45Å; C252-C265 HydrophobicContact CB-CB 3.6Å; C252-C265 WeakPolarHBondContact CB-SG 3.48Å; C252-C265 WeakPolarHBondContact SG-CA 3.27Å; C252-C265 WeakPolarHBondContact SG-CB 3.41Å; C252-C265 CovalentContact SG-SG 2.03Å; C252-C265 PolarHBondContact SG-SG 2.71Å; A255-C265 WeakPolarHBondContact O-CA 3.37Å; C265-G277 WeakPolarHBondContact CB-O 3.38Å; C265-G277 PolarHBondContact SG-O 3.01Å
266T88.9Confident87.5Confident47 Ų4757.8 Ų57.829%0.28832%0.318SS..EExtended strand (participates in β ladder)trans-127.114117656.90000109.6A255 V257A255-T266 WeakPolarHBondContact CB-OG1 3.45Å; A255-T266 PolarHBondContact N-O 2.84Å; A255-T266 PolarHBondContact O-N 3.36Å; A255-T266 PolarHBondContact O-OG1 2.95Å; V257-T266 HydrophobicContact CG2-CG2 3.86Å
267C89.6Confident87.3Confident28 Ų2858 Ų5819%0.18933%0.325CS..PPolyproline II helixtrans-100.7155.2-178.8-640000111.2C280C267-C280 WeakPolarHBondContact CA-SG 2.72Å; C267-C280 HydrophobicContact CB-CB 3.79Å; C267-C280 WeakPolarHBondContact CB-SG 3.3Å; C267-C280 WeakPolarHBondContact SG-CA 3.44Å; C267-C280 WeakPolarHBondContact SG-CB 3.08Å; C267-C280 CovalentContact SG-SG 2.03Å; C267-C280 PolarHBondContact SG-SG 2.78Å
268P88.8Confident86.9Confident17 Ų1761.4 Ų61.411%0.1133%0.332CS..PPolyproline II helixtrans-56.4163.4169-20.932.5000111.9H254 G270 Y271 Y445H254-P268 HydrophobicContact CB-CG 4.39Å; P268-G270 PolarHBondContact O-N 2.78Å; P268-Y271 HydrophobicContact CB-CD2 4.05Å; P268-Y271 HydrophobicContact CG-CD2 4.44Å; P268-Y271 PolarHBondContact O-N 2.91Å; P268-Y445 HydrophobicContact CB-CE1 4Å; P268-Y445 HydrophobicContact CB-CE2 4.37Å; P268-Y445 HydrophobicContact CG-CD1 4.11Å; P268-Y445 HydrophobicContact CG-CE1 3.85Å
269A88Confident86.7Confident89 Ų8963.1 Ų63.174%0.73634%0.342SS*.THydrogen-bonded Turntrans-55.2140.1169.900000110.8Y271A269-Y271 WeakPolarHBondContact O-CD2 3.46Å
270G88.9Confident86.5Confident18 Ų1862.3 Ų62.319%0.18634%0.337CS..THydrogen-bonded Turntrans87.53.8-175.100000114.6P268 I283P268-G270 PolarHBondContact O-N 2.78Å; G270-I283 WeakPolarHBondContact O-CB 3.38Å; G270-I283 WeakPolarHBondContact O-CG1 3.35Å; G270-I283 PolarHBondContact O-N 3.11Å
271Y90.3Very high86.6Confident13 Ų1366.5 Ų66.55%0.05135%0.349CS..EExtended strand (participates in β ladder)trans-131.3146.6-179.5-63.4-93.2000112.6P268 A269 C280 K281 D282 Y303 G304 Y445 F447P268-Y271 HydrophobicContact CB-CD2 4.05Å; P268-Y271 HydrophobicContact CG-CD2 4.44Å; P268-Y271 PolarHBondContact O-N 2.91Å; A269-Y271 WeakPolarHBondContact O-CD2 3.46Å; Y271-C280 HydrophobicContact CD1-CB 4.32Å; Y271-C280 HydrophobicContact CG-CB 4.44Å; Y271-K281 CarbonylContact C-O 3.59Å; Y271-K281 WeakPolarHBondContact CA-O 3.32Å; Y271-D282 VanDerWaalsContact CD1-CA 3.43Å; Y271-D282 HydrophobicContact CD1-CB 4.06Å; Y271-D282 HydrophobicContact CE1-CB 3.7Å; Y271-Y303 VanDerWaalsContact OH-CA 3.32Å; Y271-Y303 WeakPolarHBondContact OH-CA 3.48Å; Y271-Y303 WeakPolarHBondContact OH-CB 3.33Å; Y271-Y303 PolarHBondContact OH-O 3.47Å; Y271-G304 VanDerWaalsContact CZ-CA 3.41Å; Y271-G304 VanDerWaalsContact CZ-N 3.27Å; Y271-G304 WeakPolarHBondContact OH-CA 3.41Å; Y271-G304 PolarHBondContact OH-N 2.87Å; Y271-Y445 HydrophobicContact CE2-CD2 4.11Å; Y271-Y445 HydrophobicContact CE2-CE2 4.45Å; Y271-F447 AromaticContact CD1-CE1 3.68Å; Y271-F447 HydrophobicContact CD1-CE1 3.68Å; Y271-F447 AromaticContact CD1-CZ 3.82Å; Y271-F447 HydrophobicContact CD1-CZ 3.82Å; Y271-F447 HydrophobicContact CE1-CD1 4.23Å; Y271-F447 AromaticContact CE1-CE1 3.23Å; Y271-F447 HydrophobicContact CE1-CE1 3.23Å; Y271-F447 AromaticContact CE1-CE2 3.68Å; Y271-F447 HydrophobicContact CE1-CE2 3.68Å; Y271-F447 AromaticContact CE1-CZ 2.95Å; Y271-F447 HydrophobicContact CE1-CZ 2.95Å; Y271-F447 AromaticContact CE2-CZ 3.87Å; Y271-F447 HydrophobicContact CE2-CZ 3.87Å; Y271-F447 AromaticContact CZ-CE1 3.77Å; Y271-F447 AromaticContact CZ-CE2 3.6Å; Y271-F447 AromaticContact CZ-CZ 3Å; Y271-F447 WeakPolarHBondContact OH-CE2 3.27Å; Y271-F447 WeakPolarHBondContact OH-CZ 3.27Å
272N90.6Very high87Confident101 Ų10166.7 Ų66.754%0.5434%0.343SS..EExtended strand (participates in β ladder)trans-108.5145.5171.2-81.9-31.1000111.3C280 K281 I283N272-C280 WeakPolarHBondContact O-CA 3.5Å; N272-K281 PolarHBondContact N-O 3.27Å; N272-K281 PolarHBondContact O-N 3.07Å; N272-I283 HydrophobicContact CB-CG1 4.39Å
273V88.4Confident87.2Confident65 Ų6567.9 Ų67.939%0.39435%0.345SS..EExtended strand (participates in β ladder)trans-66134.9172.2-1730000109.1N279V273-N279 WeakPolarHBondContact CA-O 3.32Å
274T87.4Confident87.4Confident38 Ų3867.9 Ų67.923%0.23335%0.35CS..  trans-73.3171.3177.552.20000112D276 G277 N279 K281T274-D276 WeakPolarHBondContact CB-OD1 3.05Å; T274-D276 PolarHBondContact O-N 2.82Å; T274-D276 PolarHBondContact OG1-OD1 2.77Å; T274-D276 PolarHBondContact OG1-OD2 2.79Å; T274-G277 PolarHBondContact O-N 2.82Å; T274-N279 HydrophobicContact CG2-CB 3.91Å; T274-N279 PolarHBondContact N-O 2.9Å; T274-N279 WeakPolarHBondContact OG1-CA 3.01Å; T274-N279 VanDerWaalsContact OG1-CB 3.28Å; T274-N279 WeakPolarHBondContact OG1-CB 3.26Å; T274-N279 PolarHBondContact OG1-N 2.78Å; T274-N279 PolarHBondContact OG1-O 3.4Å; T274-N279 VanDerWaalsContact OG1-O 3.06Å; T274-K281 HydrophobicContact CG2-CB 3.88Å
275R84.7Confident87.9Confident264 Ų26462.6 Ų62.6100%0.99633%0.331SS*.THydrogen-bonded Turntrans-61.8-30.7-176.4-71-176175.5172.8-0.7113.8G277R275-G277 PolarHBondContact O-N 2.74Å
276D79.6Confident88.1Confident89 Ų8963.6 Ų63.648%0.47634%0.338SS..THydrogen-bonded Turntrans-70.5-9.6173.954.7-65.2000113.2T274 R278 N279T274-D276 WeakPolarHBondContact CB-OD1 3.05Å; T274-D276 PolarHBondContact O-N 2.82Å; T274-D276 PolarHBondContact OG1-OD1 2.77Å; T274-D276 PolarHBondContact OG1-OD2 2.79Å; D276-R278 PolarHBondContact O-N 2.99Å; D276-R278 PolarHBondContact OD2-N 3.42Å; D276-N279 PolarHBondContact OD2-N 3.35Å
277G83.6Confident88.3Confident31 Ų3164.8 Ų64.832%0.3235%0.352SS..SBendtrans75.14.4176.200000114.3C265 T274 R275C265-G277 WeakPolarHBondContact CB-O 3.38Å; C265-G277 PolarHBondContact SG-O 3.01Å; T274-G277 PolarHBondContact O-N 2.82Å; R275-G277 PolarHBondContact O-N 2.74Å
278R81.4Confident88.4Confident119 Ų11967 Ų6745%0.44937%0.365SS..SBendtrans-120.3-32-171.9-62.6-178.3-175-150.51.8114.4L253 Y263 D276L253-R278 PolarHBondContact N-O 2.03Å; Y263-R278 PolarHBondContact OH-NE 2.64Å; Y263-R278 PolarHBondContact OH-NH2 2.95Å; D276-R278 PolarHBondContact O-N 2.99Å; D276-R278 PolarHBondContact OD2-N 3.42Å
279N83.8Confident88.2Confident66 Ų6676.6 Ų76.635%0.35340%0.399SS..  trans-97.7167.5-179.9-60.4-25.4000112.8L253 V273 T274 D276L253-N279 HydrophobicContact CD2-CB 4.42Å; V273-N279 WeakPolarHBondContact CA-O 3.32Å; T274-N279 HydrophobicContact CG2-CB 3.91Å; T274-N279 PolarHBondContact N-O 2.9Å; T274-N279 WeakPolarHBondContact OG1-CA 3.01Å; T274-N279 VanDerWaalsContact OG1-CB 3.28Å; T274-N279 WeakPolarHBondContact OG1-CB 3.26Å; T274-N279 PolarHBondContact OG1-N 2.78Å; T274-N279 PolarHBondContact OG1-O 3.4Å; T274-N279 VanDerWaalsContact OG1-O 3.06Å; D276-N279 PolarHBondContact OD2-N 3.35Å
280C85.2Confident88.4Confident14 Ų1478.3 Ų78.310%0.09540%0.395CS..EExtended strand (participates in β ladder)trans-118.6127.5179.1-620000110.1L253 C267 Y271 N272L253-C280 HydrophobicContact CD2-CB 3.98Å; C267-C280 WeakPolarHBondContact CA-SG 2.72Å; C267-C280 HydrophobicContact CB-CB 3.79Å; C267-C280 WeakPolarHBondContact CB-SG 3.3Å; C267-C280 WeakPolarHBondContact SG-CA 3.44Å; C267-C280 WeakPolarHBondContact SG-CB 3.08Å; C267-C280 CovalentContact SG-SG 2.03Å; C267-C280 PolarHBondContact SG-SG 2.78Å; Y271-C280 HydrophobicContact CD1-CB 4.32Å; Y271-C280 HydrophobicContact CG-CB 4.44Å; N272-C280 WeakPolarHBondContact O-CA 3.5Å
281K87.9Confident88.5Confident149 Ų14979.4 Ų79.465%0.64840%0.397SS*.EExtended strand (participates in β ladder)trans-109.5129.8174.9-178.1175.9179.3176.40109.8Y271 N272 T274Y271-K281 CarbonylContact C-O 3.59Å; Y271-K281 WeakPolarHBondContact CA-O 3.32Å; N272-K281 PolarHBondContact N-O 3.27Å; N272-K281 PolarHBondContact O-N 3.07Å; T274-K281 HydrophobicContact CG2-CB 3.88Å
282D90.4Very high88.7Confident33 Ų3385.1 Ų85.118%0.17643%0.428CS..EExtended strand (participates in β ladder)trans-56.5138.7175.7-173.465.8000111.6Y271 N301 G304Y271-D282 VanDerWaalsContact CD1-CA 3.43Å; Y271-D282 HydrophobicContact CD1-CB 4.06Å; Y271-D282 HydrophobicContact CE1-CB 3.7Å; D282-N301 PolarHBondContact OD2-ND2 2.88Å; D282-G304 PolarHBondContact OD1-N 3.47Å
283I91.4Very high88.8Confident39 Ų3981.6 Ų81.620%0.241%0.411CS..  trans-88.7111.7175-61.3171.7000107.5G270 N272 E285G270-I283 WeakPolarHBondContact O-CB 3.38Å; G270-I283 WeakPolarHBondContact O-CG1 3.35Å; G270-I283 PolarHBondContact O-N 3.11Å; N272-I283 HydrophobicContact CB-CG1 4.39Å; I283-E285 HydrophobicContact CG2-CG 4.26Å; I283-E285 PolarHBondContact O-N 2.83Å
284D93.5Very high89Confident63 Ų6381.6 Ų81.634%0.33741%0.411SS..  trans-77.392175.7-171.8-21.6000110.6C286 A287 T288 N301D284-C286 PolarHBondContact O-N 2.82Å; D284-C286 WeakPolarHBondContact OD1-CA 2.91Å; D284-C286 WeakPolarHBondContact OD1-CB 2.99Å; D284-C286 PolarHBondContact OD1-N 3.2Å; D284-C286 VanDerWaalsContact OD1-N 3.08Å; D284-A287 HydrophobicContact CB-CB 3.99Å; D284-A287 VanDerWaalsContact CG-CB 3.4Å; D284-A287 PolarHBondContact O-N 2.79Å; D284-A287 PolarHBondContact OD1-N 2.86Å; D284-A287 WeakPolarHBondContact OD2-CB 3.41Å; D284-T288 WeakPolarHBondContact O-CB 3.09Å; D284-T288 WeakPolarHBondContact O-CG2 3.38Å; D284-T288 PolarHBondContact O-N 2.9Å; D284-T288 PolarHBondContact O-OG1 3.23Å; D284-N301 WeakPolarHBondContact CA-OD1 3.33Å
285E94.9Very high88.8Confident21 Ų2192.2 Ų92.210%0.09845%0.447CS..Hα-helixtrans-69.1-21.3-180-57.192.1171.500112.6I283 T288 R289 L290 N291 N301 G305 F306I283-E285 HydrophobicContact CG2-CG 4.26Å; I283-E285 PolarHBondContact O-N 2.83Å; E285-T288 WeakPolarHBondContact CA-OG1 3.28Å; E285-R289 PolarHBondContact O-N 2.51Å; E285-L290 HydrophobicContact CB-CB 4.25Å; E285-L290 HydrophobicContact CG-CB 4.41Å; E285-L290 PolarHBondContact O-N 3.19Å; E285-N291 HydrophobicContact CB-CB 4.41Å; E285-N291 PolarHBondContact O-N 2.92Å; E285-N291 PolarHBondContact O-ND2 2.76Å; E285-N301 PolarHBondContact OE2-OD1 2.88Å; E285-G305 WeakPolarHBondContact OE1-CA 3.32Å; E285-G305 WeakPolarHBondContact OE2-CA 3.32Å; E285-F306 HydrophobicContact CB-CB 4.32Å; E285-F306 HydrophobicContact CB-CD1 3.51Å; E285-F306 HydrophobicContact CB-CE1 4.13Å; E285-F306 HydrophobicContact CB-CG 4.07Å; E285-F306 HydrophobicContact CG-CD1 3.71Å; E285-F306 HydrophobicContact CG-CE1 4.22Å
286C92.6Very high88.8Confident32 Ų3283.5 Ų83.522%0.21642%0.42CS..Hα-helixtrans-73.3-43.9175.4-61.20000111.3D284 C299 I300 N301D284-C286 PolarHBondContact O-N 2.82Å; D284-C286 WeakPolarHBondContact OD1-CA 2.91Å; D284-C286 WeakPolarHBondContact OD1-CB 2.99Å; D284-C286 PolarHBondContact OD1-N 3.2Å; D284-C286 VanDerWaalsContact OD1-N 3.08Å; C286-C299 WeakPolarHBondContact CA-SG 3.1Å; C286-C299 HydrophobicContact CB-CB 3.86Å; C286-C299 WeakPolarHBondContact CB-SG 3.42Å; C286-C299 WeakPolarHBondContact SG-CB 3.32Å; C286-C299 CovalentContact SG-SG 2.04Å; C286-C299 PolarHBondContact SG-SG 3.32Å; C286-I300 PolarHBondContact SG-N 2.98Å; C286-N301 HydrophobicContact CB-CB 4.44Å; C286-N301 PolarHBondContact SG-N 3.31Å
287A93.5Very high89.3Confident71 Ų7182.1 Ų82.159%0.58741%0.411SS*.Hα-helixtrans-72.9-39177.400000112.5D284 R289D284-A287 HydrophobicContact CB-CB 3.99Å; D284-A287 VanDerWaalsContact CG-CB 3.4Å; D284-A287 PolarHBondContact O-N 2.79Å; D284-A287 PolarHBondContact OD1-N 2.86Å; D284-A287 WeakPolarHBondContact OD2-CB 3.41Å; A287-R289 VanDerWaalsContact C-N 3.27Å; A287-R289 PolarHBondContact O-N 3.06Å
288T90.9Very high89.6Confident75 Ų7584 Ų8446%0.4641%0.412SS..Hα-helixtrans-80.5-6.1-179.157.10000113.7D284 E285 L290D284-T288 WeakPolarHBondContact O-CB 3.09Å; D284-T288 WeakPolarHBondContact O-CG2 3.38Å; D284-T288 PolarHBondContact O-N 2.9Å; D284-T288 PolarHBondContact O-OG1 3.23Å; E285-T288 WeakPolarHBondContact CA-OG1 3.28Å; T288-L290 PolarHBondContact O-N 2.78Å
289R86.1Confident90.1Very high219 Ų21979.8 Ų79.883%0.82640%0.4SS*.THydrogen-bonded Turntrans58.231.1-175.5-53.5-177.3178.8177.20.4113.4E285 A287 N291E285-R289 PolarHBondContact O-N 2.51Å; A287-R289 VanDerWaalsContact C-N 3.27Å; A287-R289 PolarHBondContact O-N 3.06Å; R289-N291 VanDerWaalsContact C-N 3.33Å
290L90.5Very high90.5Very high124 Ų12477.9 Ų77.965%0.64939%0.39SS*.  trans-90.1-0.9172.4-65.8174.3000112.4E285 T288E285-L290 HydrophobicContact CB-CB 4.25Å; E285-L290 HydrophobicContact CG-CB 4.41Å; E285-L290 PolarHBondContact O-N 3.19Å; T288-L290 PolarHBondContact O-N 2.78Å
291N91.4Very high90.8Very high42 Ų4279.3 Ų79.323%0.22540%0.397CS..  trans-71.6151.7173.266.386.2000112.4E285 R289 C293 C299 F306E285-N291 HydrophobicContact CB-CB 4.41Å; E285-N291 PolarHBondContact O-N 2.92Å; E285-N291 PolarHBondContact O-ND2 2.76Å; R289-N291 VanDerWaalsContact C-N 3.33Å; N291-C293 PolarHBondContact OD1-N 3.25Å; N291-C299 WeakPolarHBondContact CB-SG 3Å; N291-F306 HydrophobicContact CB-CD1 4.38Å; N291-F306 HydrophobicContact CB-CD2 3.58Å; N291-F306 HydrophobicContact CB-CE1 4.33Å; N291-F306 HydrophobicContact CB-CE2 3.54Å; N291-F306 HydrophobicContact CB-CG 4.03Å; N291-F306 HydrophobicContact CB-CZ 3.94Å
292N94Very high90.9Very high133 Ų13373 Ų7371%0.71137%0.371SS*.  trans-103.125.5177.366.10.6000112.9F306N292-F306 VanDerWaalsContact OD1-CE2 3.29Å; N292-F306 WeakPolarHBondContact OD1-CE2 3.29Å; N292-F306 WeakPolarHBondContact OD1-CZ 2.99Å
293C92.9Very high90.7Very high26 Ų2675.9 Ų75.918%0.17638%0.38CS..  trans-70.1142.6-178.1-56.50000111.9N291 Q297 C308N291-C293 PolarHBondContact OD1-N 3.25Å; C293-Q297 HydrophobicContact CB-CB 4.16Å; C293-C308 WeakPolarHBondContact CA-SG 3.48Å; C293-C308 HydrophobicContact CB-CB 3.79Å; C293-C308 WeakPolarHBondContact CB-SG 3.09Å; C293-C308 VanDerWaalsContact SG-CA 3.54Å; C293-C308 WeakPolarHBondContact SG-CB 2.99Å; C293-C308 CovalentContact SG-SG 2.03Å; C293-C308 PolarHBondContact SG-SG 3.27Å
294T92.5Very high90.4Very high66 Ų6675.3 Ų75.341%0.40538%0.383SS..  trans-73.6162.3173.564.30000111.2D296 Q297T294-D296 WeakPolarHBondContact CB-OD1 3.42Å; T294-D296 PolarHBondContact O-N 2.8Å; T294-D296 VanDerWaalsContact O-N 3.12Å; T294-D296 PolarHBondContact OG1-OD1 2.8Å; T294-Q297 WeakPolarHBondContact O-CB 3.26Å; T294-Q297 PolarHBondContact O-N 2.95Å; T294-Q297 VanDerWaalsContact OG1-CG 3.22Å; T294-Q297 WeakPolarHBondContact OG1-CG 3.48Å; T294-Q297 PolarHBondContact OG1-OE1 2.83Å
295R83.5Confident90.3Very high261 Ų26173 Ų7399%0.98537%0.374SS*.THydrogen-bonded Turntrans-60.3-24.3-177.5-73.7-172.2175.5179.20.1114.4
296D85.2Confident90.2Very high81 Ų8174.7 Ų74.743%0.43338%0.381SS..THydrogen-bonded Turntrans-90.5-6178.261.6-65.9000113.4T294 R310T294-D296 WeakPolarHBondContact CB-OD1 3.42Å; T294-D296 PolarHBondContact O-N 2.8Å; T294-D296 VanDerWaalsContact O-N 3.12Å; T294-D296 PolarHBondContact OG1-OD1 2.8Å; D296-R310 IonicContact OD2-CZ 3.81Å; D296-R310 IonicContact OD2-NE 3.87Å; D296-R310 PolarHBondContact OD2-NE 2.89Å; D296-R310 IonicContact OD2-NH2 3.72Å; D296-R310 PolarHBondContact OD2-NH2 2.98Å
297Q89.6Confident90.1Very high59 Ų5976.8 Ų76.828%0.27639%0.388SS..SBendtrans-98.9148.3176-70.4170.4-16.500111C293 T294 C308 R310C293-Q297 HydrophobicContact CB-CB 4.16Å; T294-Q297 WeakPolarHBondContact O-CB 3.26Å; T294-Q297 PolarHBondContact O-N 2.95Å; T294-Q297 VanDerWaalsContact OG1-CG 3.22Å; T294-Q297 WeakPolarHBondContact OG1-CG 3.48Å; T294-Q297 PolarHBondContact OG1-OE1 2.83Å; Q297-C308 HydrophobicContact CB-CB 4.19Å; Q297-C308 HydrophobicContact CG-CB 4.47Å; Q297-R310 HydrophobicContact CG-CB 4.42Å
298M90.3Very high90.1Very high71 Ų7175.2 Ų75.235%0.3537%0.372SS..EExtended strand (participates in β ladder)trans-97.1131.6171-173.8171.7-161.300109.1I300 C308 V309 P326 L327M298-I300 HydrophobicContact CG-CD1 4.05Å; M298-I300 HydrophobicContact SD-CD1 4.17Å; M298-C308 WeakPolarHBondContact O-CA 3.42Å; M298-V309 HydrophobicContact CB-CG2 3.99Å; M298-V309 PolarHBondContact N-O 2.6Å; M298-V309 PolarHBondContact O-N 3.03Å; M298-P326 HydrophobicContact SD-CB 4.45Å; M298-L327 HydrophobicContact CE-CD1 4.41Å; M298-L327 HydrophobicContact SD-CD1 4.35Å; M298-L327 HydrophobicContact SD-CD2 3.64Å; M298-L327 HydrophobicContact SD-CG 4Å
299C92.5Very high90.1Very high30 Ų3072.3 Ų72.320%0.20335%0.354CS..EExtended strand (participates in β ladder)trans-83.7127173.2-170.20000109.7C286 N291C286-C299 WeakPolarHBondContact CA-SG 3.1Å; C286-C299 HydrophobicContact CB-CB 3.86Å; C286-C299 WeakPolarHBondContact CB-SG 3.42Å; C286-C299 WeakPolarHBondContact SG-CB 3.32Å; C286-C299 CovalentContact SG-SG 2.04Å; C286-C299 PolarHBondContact SG-SG 3.32Å; N291-C299 WeakPolarHBondContact CB-SG 3Å
300I91.9Very high90.3Very high27 Ų2768.1 Ų68.114%0.13834%0.338CS..EExtended strand (participates in β ladder)trans-116.5119.3172.6-54-61.2000108C286 M298 F306 Q307 V309 Y352 F441C286-I300 PolarHBondContact SG-N 2.98Å; M298-I300 HydrophobicContact CG-CD1 4.05Å; M298-I300 HydrophobicContact SD-CD1 4.17Å; I300-F306 CarbonylContact O-C 3.56Å; I300-F306 WeakPolarHBondContact O-CA 3.4Å; I300-Q307 PolarHBondContact N-O 3.5Å; I300-Q307 PolarHBondContact O-N 2.03Å; I300-V309 HydrophobicContact CD1-CG2 4.25Å; I300-V309 HydrophobicContact CG1-CG1 4.28Å; I300-V309 HydrophobicContact CG1-CG2 3.63Å; I300-Y352 HydrophobicContact CD1-CD2 4.02Å; I300-Y352 HydrophobicContact CD1-CG 4.21Å; I300-Y352 HydrophobicContact CG1-CD2 4.2Å; I300-Y352 HydrophobicContact CG1-CG 4.02Å; I300-F441 HydrophobicContact CG2-CD2 4.43Å; I300-F441 HydrophobicContact CG2-CE2 4.16Å
301N91Very high90.1Very high44 Ų4462.5 Ų62.524%0.23531%0.31CS..EExtended strand (participates in β ladder)trans-71.4137.3175.7-166.453.8000109.8D282 D284 E285 C286D282-N301 PolarHBondContact OD2-ND2 2.88Å; D284-N301 WeakPolarHBondContact CA-OD1 3.33Å; E285-N301 PolarHBondContact OE2-OD1 2.88Å; C286-N301 HydrophobicContact CB-CB 4.44Å; C286-N301 PolarHBondContact SG-N 3.31Å
302T89.6Confident90Very high17 Ų1765.8 Ų65.810%0.10433%0.327CS..EExtended strand (participates in β ladder)trans-130.1156.3178.259.80000109.8G304 G305 Q307 S354 F441T302-G304 PolarHBondContact O-N 2.8Å; T302-G305 CarbonylContact C-O 3.48Å; T302-G305 VanDerWaalsContact C-O 3.31Å; T302-G305 VanDerWaalsContact CA-O 3.31Å; T302-G305 WeakPolarHBondContact CA-O 3.36Å; T302-G305 PolarHBondContact N-O 3.15Å; T302-G305 CarbonylContact O-C 3.58Å; T302-G305 PolarHBondContact O-N 2.94Å; T302-G305 VanDerWaalsContact O-N 3.11Å; T302-G305 PolarHBondContact OG1-O 3.22Å; T302-Q307 HydrophobicContact CG2-CG 4.03Å; T302-S354 WeakPolarHBondContact CA-OG 3.37Å; T302-F441 HydrophobicContact CG2-CB 3.82Å; T302-F441 HydrophobicContact CG2-CD2 3.66Å; T302-F441 HydrophobicContact CG2-CE2 4.42Å; T302-F441 HydrophobicContact CG2-CG 3.83Å
303Y86.8Confident89.8Confident93 Ų9361 Ų6137%0.36530%0.303SS..THydrogen-bonded Turntrans-62.5105.1174.9-72.7-80.1000111Y271 S354 V356 S443 F447Y271-Y303 VanDerWaalsContact OH-CA 3.32Å; Y271-Y303 WeakPolarHBondContact OH-CA 3.48Å; Y271-Y303 WeakPolarHBondContact OH-CB 3.33Å; Y271-Y303 PolarHBondContact OH-O 3.47Å; Y303-S354 WeakPolarHBondContact CD2-OG 3.11Å; Y303-S354 PolarHBondContact N-OG 3.24Å; Y303-V356 HydrophobicContact CD2-CG2 4.17Å; Y303-V356 HydrophobicContact CE1-CG2 4.48Å; Y303-V356 HydrophobicContact CE2-CG2 3.93Å; Y303-S443 PolarHBondContact O-OG 3.2Å; Y303-F447 AromaticContact CD1-CD2 3.49Å; Y303-F447 HydrophobicContact CD1-CD2 3.49Å; Y303-F447 VanDerWaalsContact CD1-CD2 3.49Å; Y303-F447 AromaticContact CD1-CE2 3.67Å; Y303-F447 HydrophobicContact CD1-CE2 3.67Å; Y303-F447 HydrophobicContact CD1-CG 4.4Å; Y303-F447 AromaticContact CE1-CD2 3.96Å; Y303-F447 HydrophobicContact CE1-CD2 3.96Å; Y303-F447 HydrophobicContact CG-CD2 4.18Å; Y303-F447 HydrophobicContact CG-CE2 4.14Å
304G85.9Confident89.5Confident26 Ų2661.8 Ų61.827%0.26831%0.309SS..THydrogen-bonded Turntrans99.311.8175.900000114.2Y271 D282 T302Y271-G304 VanDerWaalsContact CZ-CA 3.41Å; Y271-G304 VanDerWaalsContact CZ-N 3.27Å; Y271-G304 WeakPolarHBondContact OH-CA 3.41Å; Y271-G304 PolarHBondContact OH-N 2.87Å; D282-G304 PolarHBondContact OD1-N 3.47Å; T302-G304 PolarHBondContact O-N 2.8Å
305G90.5Very high89.2Confident14 Ų1470.5 Ų70.514%0.14433%0.334CS..EExtended strand (participates in β ladder)trans165.4-156.9176.800000112.6E285 T302E285-G305 WeakPolarHBondContact OE1-CA 3.32Å; E285-G305 WeakPolarHBondContact OE2-CA 3.32Å; T302-G305 CarbonylContact C-O 3.48Å; T302-G305 VanDerWaalsContact C-O 3.31Å; T302-G305 VanDerWaalsContact CA-O 3.31Å; T302-G305 WeakPolarHBondContact CA-O 3.36Å; T302-G305 PolarHBondContact N-O 3.15Å; T302-G305 CarbonylContact O-C 3.58Å; T302-G305 PolarHBondContact O-N 2.94Å; T302-G305 VanDerWaalsContact O-N 3.11Å; T302-G305 PolarHBondContact OG1-O 3.22Å
306F92.3Very high88.8Confident58 Ų5861.4 Ų61.425%0.25430%0.304SS..EExtended strand (participates in β ladder)trans-138.8160.5-179.364.9-80.7000111.8E285 N291 N292 I300 C308E285-F306 HydrophobicContact CB-CB 4.32Å; E285-F306 HydrophobicContact CB-CD1 3.51Å; E285-F306 HydrophobicContact CB-CE1 4.13Å; E285-F306 HydrophobicContact CB-CG 4.07Å; E285-F306 HydrophobicContact CG-CD1 3.71Å; E285-F306 HydrophobicContact CG-CE1 4.22Å; N291-F306 HydrophobicContact CB-CD1 4.38Å; N291-F306 HydrophobicContact CB-CD2 3.58Å; N291-F306 HydrophobicContact CB-CE1 4.33Å; N291-F306 HydrophobicContact CB-CE2 3.54Å; N291-F306 HydrophobicContact CB-CG 4.03Å; N291-F306 HydrophobicContact CB-CZ 3.94Å; N292-F306 VanDerWaalsContact OD1-CE2 3.29Å; N292-F306 WeakPolarHBondContact OD1-CE2 3.29Å; N292-F306 WeakPolarHBondContact OD1-CZ 2.99Å; I300-F306 CarbonylContact O-C 3.56Å; I300-F306 WeakPolarHBondContact O-CA 3.4Å; F306-C308 VanDerWaalsContact CE2-SG 3.59Å
307Q91.6Very high88.4Confident76 Ų7668.1 Ų68.136%0.35532%0.324SS..EExtended strand (participates in β ladder)trans-121.9130.5172.6-69.1-126.60.500110.9I300 T302 V309 F441I300-Q307 PolarHBondContact N-O 3.5Å; I300-Q307 PolarHBondContact O-N 2.03Å; T302-Q307 HydrophobicContact CG2-CG 4.03Å; Q307-V309 HydrophobicContact CB-CG1 4.28Å; Q307-F441 HydrophobicContact CB-CE1 4.41Å; Q307-F441 HydrophobicContact CB-CE2 4.22Å; Q307-F441 HydrophobicContact CB-CZ 3.97Å; Q307-F441 HydrophobicContact CG-CD1 4.17Å; Q307-F441 HydrophobicContact CG-CE1 3.9Å; Q307-F441 HydrophobicContact CG-CE2 4.3Å; Q307-F441 HydrophobicContact CG-CZ 3.95Å
308C92.8Very high87.7Confident37 Ų3770.7 Ų70.725%0.2534%0.339CS..EExtended strand (participates in β ladder)trans-92.6108.2171.3-55.60000109.2C293 Q297 M298 F306C293-C308 WeakPolarHBondContact CA-SG 3.48Å; C293-C308 HydrophobicContact CB-CB 3.79Å; C293-C308 WeakPolarHBondContact CB-SG 3.09Å; C293-C308 VanDerWaalsContact SG-CA 3.54Å; C293-C308 WeakPolarHBondContact SG-CB 2.99Å; C293-C308 CovalentContact SG-SG 2.03Å; C293-C308 PolarHBondContact SG-SG 3.27Å; Q297-C308 HydrophobicContact CB-CB 4.19Å; Q297-C308 HydrophobicContact CG-CB 4.47Å; M298-C308 WeakPolarHBondContact O-CA 3.42Å; F306-C308 VanDerWaalsContact CE2-SG 3.59Å
309V91.3Very high87.1Confident15 Ų1567.6 Ų67.69%0.09133%0.325CS..EExtended strand (participates in β ladder)trans-107.9135.7-176.3-58.20000110.6M298 I300 Q307 Y352 F441M298-V309 HydrophobicContact CB-CG2 3.99Å; M298-V309 PolarHBondContact N-O 2.6Å; M298-V309 PolarHBondContact O-N 3.03Å; I300-V309 HydrophobicContact CD1-CG2 4.25Å; I300-V309 HydrophobicContact CG1-CG1 4.28Å; I300-V309 HydrophobicContact CG1-CG2 3.63Å; Q307-V309 HydrophobicContact CB-CG1 4.28Å; V309-Y352 HydrophobicContact CB-CD1 4.48Å; V309-Y352 HydrophobicContact CB-CE1 3.83Å; V309-Y352 HydrophobicContact CB-CE2 4.25Å; V309-Y352 HydrophobicContact CG1-CD1 4Å; V309-Y352 HydrophobicContact CG1-CE1 3.67Å; V309-Y352 HydrophobicContact CG2-CD1 4.34Å; V309-Y352 HydrophobicContact CG2-CD2 3.98Å; V309-Y352 HydrophobicContact CG2-CE1 3.95Å; V309-Y352 HydrophobicContact CG2-CE2 3.53Å; V309-Y352 HydrophobicContact CG2-CG 4.37Å; V309-F441 HydrophobicContact CG1-CZ 4.23Å
310R89.3Confident86.8Confident130 Ų13070.5 Ų70.549%0.49134%0.341SS..  trans-107.7130.6171-173.8-175.2-70.31601.3108.8D296 Q297 D312D296-R310 IonicContact OD2-CZ 3.81Å; D296-R310 IonicContact OD2-NE 3.87Å; D296-R310 PolarHBondContact OD2-NE 2.89Å; D296-R310 IonicContact OD2-NH2 3.72Å; D296-R310 PolarHBondContact OD2-NH2 2.98Å; Q297-R310 HydrophobicContact CG-CB 4.42Å; R310-D312 VanDerWaalsContact CD-OD1 3.27Å; R310-D312 WeakPolarHBondContact CD-OD1 3.41Å
311V87.8Confident86.7Confident7 Ų770.4 Ų70.44%0.04234%0.339CS..  trans-97.4108.9172175.80000108.9K323 P326 L327 H350 Y352V311-K323 PolarHBondContact O-NZ 3.36Å; V311-P326 VanDerWaalsContact CB-O 3.26Å; V311-P326 WeakPolarHBondContact CB-O 3.45Å; V311-P326 VanDerWaalsContact CG2-O 3.3Å; V311-P326 WeakPolarHBondContact CG2-O 3.01Å; V311-L327 HydrophobicContact CG2-CD2 3.94Å; V311-H350 WeakPolarHBondContact CG1-ND1 3.49Å; V311-H350 HydrophobicContact CG2-CB 3.98Å; V311-Y352 HydrophobicContact CG2-CE2 4.33Å
312D89.7Confident86.6Confident110 Ų11071.2 Ų71.259%0.58835%0.349SS*.PPolyproline II helixtrans-101126.7175.1-67.3-42.5000110R310R310-D312 VanDerWaalsContact CD-OD1 3.27Å; R310-D312 WeakPolarHBondContact CD-OD1 3.41Å
313C88.9Confident86.6Confident32 Ų3275.1 Ų75.122%0.21636%0.364CS..PPolyproline II helixtrans-75129.2176.5-630000110.4K323 C329C313-K323 VanDerWaalsContact SG-CA 3.57Å; C313-C329 WeakPolarHBondContact CA-SG 3.32Å; C313-C329 HydrophobicContact CB-CB 3.8Å; C313-C329 WeakPolarHBondContact CB-SG 3.43Å; C313-C329 WeakPolarHBondContact SG-CB 3.43Å; C313-C329 CovalentContact SG-SG 2.04Å; C313-C329 PolarHBondContact SG-SG 3.36Å
314P87Confident86.6Confident44 Ų4474.1 Ų74.129%0.28637%0.368SS..PPolyproline II helixtrans-67.6141.9-175.525.5-31.6000111I316 Y321 I348P314-I316 HydrophobicContact CB-CG1 4.4Å; P314-Y321 HydrophobicContact CG-CD2 4.45Å; P314-Y321 WeakPolarHBondContact O-CD2 3.21Å; P314-I348 HydrophobicContact CG-CD1 3.33Å
315R84.7Confident86.7Confident248 Ų24875 Ų7594%0.93637%0.37SS*.  trans-99.295.2173-65-174.2-179170.60.9108.7
316I76.5Confident86.5Confident71 Ų7178.3 Ų78.336%0.36439%0.389SS..BIsolated β-bridgetrans-90.2148.2178.9-61.2178000108.5P314 N318 S319 Y321P314-I316 HydrophobicContact CB-CG1 4.4Å; I316-N318 PolarHBondContact O-N 3.2Å; I316-S319 VanDerWaalsContact CB-OG 3.31Å; I316-S319 WeakPolarHBondContact CB-OG 3.15Å; I316-S319 WeakPolarHBondContact CG2-OG 3.36Å; I316-S319 PolarHBondContact O-N 3.08Å; I316-Y321 HydrophobicContact CB-CE2 4.4Å; I316-Y321 HydrophobicContact CD1-CE2 3.79Å; I316-Y321 HydrophobicContact CG1-CE2 4.16Å
317R75.9Confident86.3Confident222 Ų22277.6 Ų77.684%0.83839%0.388SS*.THydrogen-bonded Turntrans-58.7129.8175.5-75-173179.3-172-0109.4S319R317-S319 PolarHBondContact O-N 3.09Å
318N75.8Confident86.3Confident112 Ų11278.5 Ų78.560%0.59939%0.388SS*.THydrogen-bonded Turntrans64.312.7178.2-57.8-21.9000115.9I316 N338I316-N318 PolarHBondContact O-N 3.2Å; N318-N338 WeakPolarHBondContact CB-ND2 3.31Å
319S78Confident86.2Confident7 Ų776.7 Ų76.75%0.04938%0.376CS..BIsolated β-bridgetrans-141.4136.8168.960.20000111.4I316 R317I316-S319 VanDerWaalsContact CB-OG 3.31Å; I316-S319 WeakPolarHBondContact CB-OG 3.15Å; I316-S319 WeakPolarHBondContact CG2-OG 3.36Å; I316-S319 PolarHBondContact O-N 3.08Å; R317-S319 PolarHBondContact O-N 3.09Å
320T85.3Confident86.2Confident90 Ų9079.4 Ų79.455%0.55239%0.387SS*.  trans-113.2140.3177.848.10000109.4N332T320-N332 PolarHBondContact O-N 3.4Å; T320-N332 PolarHBondContact OG1-ND2 3.43Å
321Y89.8Confident86.3Confident25 Ų2575.5 Ų75.510%0.09837%0.372CS..EExtended strand (participates in β ladder)trans-113.7137.9177.9-70.3-99.2000109.4P314 I316 C329 E330 R331 P345 I348P314-Y321 HydrophobicContact CG-CD2 4.45Å; P314-Y321 WeakPolarHBondContact O-CD2 3.21Å; I316-Y321 HydrophobicContact CB-CE2 4.4Å; I316-Y321 HydrophobicContact CD1-CE2 3.79Å; I316-Y321 HydrophobicContact CG1-CE2 4.16Å; Y321-C329 HydrophobicContact CD1-CB 4.34Å; Y321-E330 CarbonylContact C-O 3.31Å; Y321-E330 VanDerWaalsContact CA-O 3.29Å; Y321-E330 WeakPolarHBondContact CA-O 3.47Å; Y321-R331 HydrophobicContact CD1-CB 3.91Å; Y321-R331 HydrophobicContact CD1-CG 4.48Å; Y321-R331 HydrophobicContact CE1-CB 3.54Å; Y321-R331 HydrophobicContact CE1-CG 4.03Å; Y321-R331 HydrophobicContact CE2-CG 4.2Å; Y321-P345 WeakPolarHBondContact CE1-O 3.31Å; Y321-P345 WeakPolarHBondContact OH-CD 3.28Å; Y321-P345 PolarHBondContact OH-O 3.22Å; Y321-I348 HydrophobicContact CD1-CD1 4.47Å; Y321-I348 HydrophobicContact CE1-CD1 3.97Å; Y321-I348 HydrophobicContact CE1-CG1 4.15Å
322S89.7Confident86.1Confident62 Ų6278.6 Ų78.643%0.43439%0.389SS..EExtended strand (participates in β ladder)trans-106.5142.9171-1730000109.9T324 C329 E330S322-T324 PolarHBondContact O-N 3.32Å; S322-C329 CarbonylContact O-C 3.59Å; S322-C329 VanDerWaalsContact O-CA 3.31Å; S322-C329 WeakPolarHBondContact O-CA 2.99Å; S322-E330 PolarHBondContact N-O 3.43Å; S322-E330 PolarHBondContact O-N 2.04Å
323K88.6Confident85.9Confident99 Ų9979.4 Ų79.443%0.4340%0.4SS..EExtended strand (participates in β ladder)trans-77.8108.7175.7-172.5170.5-177.41650108.6V311 C313 S325 P326V311-K323 PolarHBondContact O-NZ 3.36Å; C313-K323 VanDerWaalsContact SG-CA 3.57Å; K323-S325 WeakPolarHBondContact CE-O 3.41Å; K323-S325 WeakPolarHBondContact CG-O 3.01Å; K323-P326 WeakPolarHBondContact CE-O 3.33Å; K323-P326 PolarHBondContact NZ-O 3.27Å
324T87.3Confident85.6Confident71 Ų7179.7 Ų79.744%0.43640%0.402SS..EExtended strand (participates in β ladder)trans-95.5-21.1-179.355.20000112.6S322 R328 E330S322-T324 PolarHBondContact O-N 3.32Å; T324-R328 PolarHBondContact N-O 2.74Å; T324-R328 PolarHBondContact OG1-O 3.42Å; T324-E330 HydrophobicContact CG2-CB 3.76Å; T324-E330 HydrophobicContact CG2-CG 3.85Å
325S87.6Confident85.4Confident46 Ų4681.4 Ų81.432%0.32242%0.415SS..EExtended strand (participates in β ladder)trans-146.6171.2171.489.40000110.7K323 L327 R328K323-S325 WeakPolarHBondContact CE-O 3.41Å; K323-S325 WeakPolarHBondContact CG-O 3.01Å; S325-L327 PolarHBondContact O-N 3.21Å; S325-L327 PolarHBondContact OG-N 3.11Å; S325-R328 PolarHBondContact N-O 3.36Å; S325-R328 PolarHBondContact O-N 2.93Å; S325-R328 WeakPolarHBondContact OG-CB 3.06Å; S325-R328 PolarHBondContact OG-N 3.19Å
326P85.9Confident85Confident82 Ų8276.5 Ų76.553%0.53241%0.412SS..THydrogen-bonded Turntrans-52.1-28.1175-28.536.9000114M298 V311 K323M298-P326 HydrophobicContact SD-CB 4.45Å; V311-P326 VanDerWaalsContact CB-O 3.26Å; V311-P326 WeakPolarHBondContact CB-O 3.45Å; V311-P326 VanDerWaalsContact CG2-O 3.3Å; V311-P326 WeakPolarHBondContact CG2-O 3.01Å; K323-P326 WeakPolarHBondContact CE-O 3.33Å; K323-P326 PolarHBondContact NZ-O 3.27Å
327L89.2Confident85.2Confident44 Ų4480.1 Ų80.123%0.2343%0.432CS..THydrogen-bonded Turntrans-117.8-2.6-173.8-67.5-178.8000114M298 V311 S325 S349 H350 Y352M298-L327 HydrophobicContact CE-CD1 4.41Å; M298-L327 HydrophobicContact SD-CD1 4.35Å; M298-L327 HydrophobicContact SD-CD2 3.64Å; M298-L327 HydrophobicContact SD-CG 4Å; V311-L327 HydrophobicContact CG2-CD2 3.94Å; S325-L327 PolarHBondContact O-N 3.21Å; S325-L327 PolarHBondContact OG-N 3.11Å; L327-S349 CarbonylContact O-C 3.52Å; L327-S349 WeakPolarHBondContact O-CA 3.26Å; L327-H350 WeakPolarHBondContact CB-O 3.35Å; L327-H350 HydrophobicContact CD2-CB 4.45Å; L327-H350 PolarHBondContact O-N 3.01Å; L327-Y352 HydrophobicContact CD2-CD2 3.93Å; L327-Y352 HydrophobicContact CD2-CE2 3.54Å
328R90.8Very high85.4Confident94 Ų9471.6 Ų71.636%0.35540%0.404SS..EExtended strand (participates in β ladder)trans-130.9136.5-169.9-164.7174.3-176.5-134.6-9.4112.6T324 S325 E330 S347T324-R328 PolarHBondContact N-O 2.74Å; T324-R328 PolarHBondContact OG1-O 3.42Å; S325-R328 PolarHBondContact N-O 3.36Å; S325-R328 PolarHBondContact O-N 2.93Å; S325-R328 WeakPolarHBondContact OG-CB 3.06Å; S325-R328 PolarHBondContact OG-N 3.19Å; R328-E330 IonicContact CZ-OE1 3.21Å; R328-E330 IonicContact NE-OE1 2.62Å; R328-E330 IonicContact NH1-OE1 3.01Å; R328-E330 PolarHBondContact NH1-OE1 3.16Å; R328-E330 IonicContact NH2-OE1 2.98Å; R328-E330 PolarHBondContact NH2-OE1 3.34Å; R328-E330 VanDerWaalsContact NH2-OE1 3.13Å; R328-S347 PolarHBondContact NH2-OG 2.97Å
329C91.8Very high85.6Confident0 Ų074 Ų740%041%0.408CS..EExtended strand (participates in β ladder)trans-118.8131173.3-61.70000109.3C313 Y321 S322 S347 I348C313-C329 WeakPolarHBondContact CA-SG 3.32Å; C313-C329 HydrophobicContact CB-CB 3.8Å; C313-C329 WeakPolarHBondContact CB-SG 3.43Å; C313-C329 WeakPolarHBondContact SG-CB 3.43Å; C313-C329 CovalentContact SG-SG 2.04Å; C313-C329 PolarHBondContact SG-SG 3.36Å; Y321-C329 HydrophobicContact CD1-CB 4.34Å; S322-C329 CarbonylContact O-C 3.59Å; S322-C329 VanDerWaalsContact O-CA 3.31Å; S322-C329 WeakPolarHBondContact O-CA 2.99Å; C329-S347 CarbonylContact O-C 3.54Å; C329-S347 WeakPolarHBondContact O-CA 3.19Å; C329-S347 WeakPolarHBondContact O-CB 3.48Å; C329-I348 PolarHBondContact N-O 3.43Å; C329-I348 PolarHBondContact O-N 2.84Å
330E91.4Very high85.8Confident71 Ų7178 Ų7833%0.33243%0.432SS..EExtended strand (participates in β ladder)trans-113.7141.4174.5-70.6-176.3175.200110.5Y321 S322 T324 R328Y321-E330 CarbonylContact C-O 3.31Å; Y321-E330 VanDerWaalsContact CA-O 3.29Å; Y321-E330 WeakPolarHBondContact CA-O 3.47Å; S322-E330 PolarHBondContact N-O 3.43Å; S322-E330 PolarHBondContact O-N 2.04Å; T324-E330 HydrophobicContact CG2-CB 3.76Å; T324-E330 HydrophobicContact CG2-CG 3.85Å; R328-E330 IonicContact CZ-OE1 3.21Å; R328-E330 IonicContact NE-OE1 2.62Å; R328-E330 IonicContact NH1-OE1 3.01Å; R328-E330 PolarHBondContact NH1-OE1 3.16Å; R328-E330 IonicContact NH2-OE1 2.98Å; R328-E330 PolarHBondContact NH2-OE1 3.34Å; R328-E330 VanDerWaalsContact NH2-OE1 3.13Å
331R90.4Very high85.7Confident48 Ų4874 Ų7418%0.18141%0.408CS..EExtended strand (participates in β ladder)trans-76.9138.1179.4-164.6-170.860.8-124.3-3.4109.7Y321 C334 A344 P345 N346Y321-R331 HydrophobicContact CD1-CB 3.91Å; Y321-R331 HydrophobicContact CD1-CG 4.48Å; Y321-R331 HydrophobicContact CE1-CB 3.54Å; Y321-R331 HydrophobicContact CE1-CG 4.03Å; Y321-R331 HydrophobicContact CE2-CG 4.2Å; R331-C334 PolarHBondContact NE-SG 2.02Å; R331-A344 PolarHBondContact NH1-O 2.96Å; R331-P345 PolarHBondContact NH1-O 3.39Å; R331-N346 WeakPolarHBondContact CB-O 3.17Å; R331-N346 VanDerWaalsContact CZ-OD1 3.29Å; R331-N346 PolarHBondContact N-O 3.08Å; R331-N346 VanDerWaalsContact NH1-CA 3.34Å; R331-N346 PolarHBondContact NH1-OD1 2.77Å; R331-N346 PolarHBondContact NH2-OD1 2.91Å
332N84.8Confident85.3Confident72 Ų7275.8 Ų75.839%0.38543%0.425SS..PPolyproline II helixtrans-63.9154.3168.8-69.6-29.6000111.5T320 C334T320-N332 PolarHBondContact O-N 3.4Å; T320-N332 PolarHBondContact OG1-ND2 3.43Å; N332-C334 PolarHBondContact O-N 2.95Å
333P85.2Confident84.9Confident128 Ų12878.8 Ų78.883%0.83143%0.432SS*.PPolyproline II helixtrans-53.2134.9176.6-26.534.7000112.1
334C82.4Confident84.9Confident38 Ų3874.5 Ų74.526%0.25742%0.415SS..PPolyproline II helixtrans-80.7143.3177.1-63.90000110.7R331 N332 C341R331-C334 PolarHBondContact NE-SG 2.02Å; N332-C334 PolarHBondContact O-N 2.95Å; C334-C341 VanDerWaalsContact CA-SG 3.56Å; C334-C341 HydrophobicContact CB-CB 3.73Å; C334-C341 WeakPolarHBondContact CB-SG 3.37Å; C334-C341 WeakPolarHBondContact SG-CB 2.99Å; C334-C341 PolarHBondContact SG-O 3.37Å; C334-C341 VanDerWaalsContact SG-O 3.34Å; C334-C341 CovalentContact SG-SG 2.05Å; C334-C341 PolarHBondContact SG-SG 3.05Å
335S82.3Confident85.1Confident80 Ų8071.5 Ų71.556%0.55940%0.397SS*.PPolyproline II helixtrans-62.8145.5164.2-178.80000110.1D337 N338S335-D337 PolarHBondContact O-N 2.84Å; S335-D337 VanDerWaalsContact O-N 3.16Å; S335-N338 PolarHBondContact O-N 2.89Å
336V75.8Confident85.2Confident144 Ų14471.3 Ų71.387%0.87339%0.392SS*.THydrogen-bonded Turntrans-57.4-32.6-174.6-173.40000112.1
337D80.7Confident85.5Confident147 Ų14767.8 Ų67.879%0.78637%0.369SS*.THydrogen-bonded Turntrans-83.7-10.8-177.3-56-43.5000113.7S335 K339S335-D337 PolarHBondContact O-N 2.84Å; S335-D337 VanDerWaalsContact O-N 3.16Å; D337-K339 PolarHBondContact O-N 3.36Å; D337-K339 VanDerWaalsContact O-N 3.16Å
338N81.4Confident85.6Confident44 Ų4466.4 Ų66.424%0.23536%0.362CS..  trans-93.975.7-170.5-158.7-31000112.4N318 S335 V340 C341 S342N318-N338 WeakPolarHBondContact CB-ND2 3.31Å; S335-N338 PolarHBondContact O-N 2.89Å; N338-V340 PolarHBondContact O-N 3.2Å; N338-V340 VanDerWaalsContact O-N 3.14Å; N338-C341 HydrophobicContact CB-CB 3.97Å; N338-C341 WeakPolarHBondContact O-CB 3.48Å; N338-C341 PolarHBondContact O-N 3.43Å; N338-C341 PolarHBondContact OD1-N 2.03Å; N338-C341 VanDerWaalsContact OD1-N 3.13Å; N338-S342 PolarHBondContact O-N 3.25Å
339K79.8Confident85.6Confident161 Ų16162.9 Ų62.970%0.735%0.352SS*.Hα-helixtrans-56-29.1178.6-70.8-1741791790113.9D337 S342 Q343D337-K339 PolarHBondContact O-N 3.36Å; D337-K339 VanDerWaalsContact O-N 3.16Å; K339-S342 WeakPolarHBondContact CA-OG 3.45Å; K339-S342 PolarHBondContact O-OG 3.33Å; K339-Q343 VanDerWaalsContact O-CG 3.3Å; K339-Q343 WeakPolarHBondContact O-CG 3.4Å; K339-Q343 PolarHBondContact O-N 3.04Å
340V80.8Confident85.5Confident91 Ų9164.2 Ų64.255%0.55236%0.358SS*.Hα-helixtrans-71-41177.9-178.20000110.6N338 Q343 A344N338-V340 PolarHBondContact O-N 3.2Å; N338-V340 VanDerWaalsContact O-N 3.14Å; V340-Q343 PolarHBondContact O-N 3.07Å; V340-A344 PolarHBondContact O-N 3.19Å
341C84.2Confident85.4Confident6 Ų664.8 Ų64.84%0.04136%0.361CS..Hα-helixtrans-63-43.1174.8-178.70000111.8C334 N338 Q343 A344C334-C341 VanDerWaalsContact CA-SG 3.56Å; C334-C341 HydrophobicContact CB-CB 3.73Å; C334-C341 WeakPolarHBondContact CB-SG 3.37Å; C334-C341 WeakPolarHBondContact SG-CB 2.99Å; C334-C341 PolarHBondContact SG-O 3.37Å; C334-C341 VanDerWaalsContact SG-O 3.34Å; C334-C341 CovalentContact SG-SG 2.05Å; C334-C341 PolarHBondContact SG-SG 3.05Å; N338-C341 HydrophobicContact CB-CB 3.97Å; N338-C341 WeakPolarHBondContact O-CB 3.48Å; N338-C341 PolarHBondContact O-N 3.43Å; N338-C341 PolarHBondContact OD1-N 2.03Å; N338-C341 VanDerWaalsContact OD1-N 3.13Å; C341-Q343 PolarHBondContact O-N 2.71Å; C341-A344 VanDerWaalsContact O-CB 3.29Å; C341-A344 WeakPolarHBondContact O-CB 3.03Å; C341-A344 PolarHBondContact O-N 2.67Å
342S80.6Confident85.3Confident64 Ų6464.7 Ų64.745%0.44836%0.361SS..Hα-helixtrans-66.2-22.1179.658.80000113.5N338 K339N338-S342 PolarHBondContact O-N 3.25Å; K339-S342 WeakPolarHBondContact CA-OG 3.45Å; K339-S342 PolarHBondContact O-OG 3.33Å
343Q83Confident85.3Confident124 Ų12464.3 Ų64.358%0.57936%0.358SS*.Hα-helixtrans-85.7-14.6175.1-71.5175.2-0.400113.2K339 V340 C341 R433K339-Q343 VanDerWaalsContact O-CG 3.3Å; K339-Q343 WeakPolarHBondContact O-CG 3.4Å; K339-Q343 PolarHBondContact O-N 3.04Å; V340-Q343 PolarHBondContact O-N 3.07Å; C341-Q343 PolarHBondContact O-N 2.71Å; Q343-R433 WeakPolarHBondContact O-CD 3.22Å; Q343-R433 PolarHBondContact O-NH1 3.35Å
344A87.4Confident85.3Confident10 Ų1059.7 Ų59.78%0.08333%0.329CS..SBendtrans-69.3160.3175.200000110.8R331 V340 C341R331-A344 PolarHBondContact NH1-O 2.96Å; V340-A344 PolarHBondContact O-N 3.19Å; C341-A344 VanDerWaalsContact O-CB 3.29Å; C341-A344 WeakPolarHBondContact O-CB 3.03Å; C341-A344 PolarHBondContact O-N 2.67Å
345P91.2Very high85.2Confident8 Ų859.5 Ų59.55%0.05233%0.326CS..  trans-60.2138.2174.3-21.632000112.2Y321 R331 I348 R433 I435Y321-P345 WeakPolarHBondContact CE1-O 3.31Å; Y321-P345 WeakPolarHBondContact OH-CD 3.28Å; Y321-P345 PolarHBondContact OH-O 3.22Å; R331-P345 PolarHBondContact NH1-O 3.39Å; P345-I348 HydrophobicContact CB-CD1 4.47Å; P345-I348 HydrophobicContact CB-CG1 4.09Å; P345-R433 CarbonylContact C-O 3.57Å; P345-R433 WeakPolarHBondContact CA-O 3.39Å; P345-I435 HydrophobicContact CB-CD1 4.1Å; P345-I435 HydrophobicContact CB-CG1 3.99Å; P345-I435 HydrophobicContact CG-CD1 3.29Å; P345-I435 HydrophobicContact CG-CG1 3.72Å
346N90.7Very high85Confident41 Ų4156.1 Ų56.122%0.21930%0.302CS..SBendtrans-67.9-42.7172.7-70.6-0.8000111.4R331 G432 R433 Y434R331-N346 WeakPolarHBondContact CB-O 3.17Å; R331-N346 VanDerWaalsContact CZ-OD1 3.29Å; R331-N346 PolarHBondContact N-O 3.08Å; R331-N346 VanDerWaalsContact NH1-CA 3.34Å; R331-N346 PolarHBondContact NH1-OD1 2.77Å; R331-N346 PolarHBondContact NH2-OD1 2.91Å; N346-G432 WeakPolarHBondContact ND2-CA 3.24Å; N346-R433 WeakPolarHBondContact CB-O 3.26Å; N346-R433 PolarHBondContact N-O 2.82Å; N346-Y434 HydrophobicContact CB-CD1 4.16Å; N346-Y434 HydrophobicContact CB-CE1 3.97Å
347S91Very high84.7Confident8 Ų850.7 Ų50.76%0.05627%0.271CS..EExtended strand (participates in β ladder)trans-143.8153.9173.574.20000111.9R328 C329 Y434 I435R328-S347 PolarHBondContact NH2-OG 2.97Å; C329-S347 CarbonylContact O-C 3.54Å; C329-S347 WeakPolarHBondContact O-CA 3.19Å; C329-S347 WeakPolarHBondContact O-CB 3.48Å; S347-Y434 WeakPolarHBondContact OG-CD1 3.33Å; S347-I435 PolarHBondContact O-N 2.89Å
348I91.6Very high84Confident16 Ų1648.7 Ų48.78%0.08226%0.26CS..EExtended strand (participates in β ladder)trans-126120.3176.7-57.8175.1000107.6P314 Y321 C329 P345 I435P314-I348 HydrophobicContact CG-CD1 3.33Å; Y321-I348 HydrophobicContact CD1-CD1 4.47Å; Y321-I348 HydrophobicContact CE1-CD1 3.97Å; Y321-I348 HydrophobicContact CE1-CG1 4.15Å; C329-I348 PolarHBondContact N-O 3.43Å; C329-I348 PolarHBondContact O-N 2.84Å; P345-I348 HydrophobicContact CB-CD1 4.47Å; P345-I348 HydrophobicContact CB-CG1 4.09Å; I348-I435 CarbonylContact C-O 3.59Å; I348-I435 VanDerWaalsContact CA-O 3.27Å; I348-I435 WeakPolarHBondContact CA-O 3.12Å; I348-I435 HydrophobicContact CG1-CB 4.29Å
349S91Very high82.9Confident20 Ų2052 Ų5214%0.1428%0.277CS..EExtended strand (participates in β ladder)trans-112.6148.8176.854.50000111.2L327 H351 I435 T436 K437L327-S349 CarbonylContact O-C 3.52Å; L327-S349 WeakPolarHBondContact O-CA 3.26Å; S349-H351 PolarHBondContact OG-NE2 3.15Å; S349-I435 PolarHBondContact N-O 3.22Å; S349-T436 CarbonylContact O-C 3.56Å; S349-T436 WeakPolarHBondContact O-CA 3.31Å; S349-T436 PolarHBondContact OG-OG1 2.95Å; S349-K437 PolarHBondContact O-N 3.27Å
350H90.5Very high81.7Confident27 Ų2749.5 Ų49.513%0.12528%0.28CS..EExtended strand (participates in β ladder)trans-118.3135.3178.5-63.775000108.8V311 L327 Y352 K437V311-H350 WeakPolarHBondContact CG1-ND1 3.49Å; V311-H350 HydrophobicContact CG2-CB 3.98Å; L327-H350 WeakPolarHBondContact CB-O 3.35Å; L327-H350 HydrophobicContact CD2-CB 4.45Å; L327-H350 PolarHBondContact O-N 3.01Å; H350-Y352 HydrophobicContact CB-CE2 4.18Å; H350-K437 CarbonylContact C-O 3.48Å; H350-K437 WeakPolarHBondContact CA-O 3.06Å
351H88.2Confident80.5Confident84 Ų8446.3 Ų46.339%0.38926%0.263SS..EExtended strand (participates in β ladder)trans-133.9144.9-180-60.5-92.4000108.8S349 T436 K437 I438 T439S349-H351 PolarHBondContact OG-NE2 3.15Å; H351-T436 PolarHBondContact CD2-OG1 3.2Å; H351-T436 PolarHBondContact NE2-OG1 2.65Å; H351-K437 PolarHBondContact N-O 2.74Å; H351-I438 HydrophobicContact CB-CG1 4.26Å; H351-I438 CarbonylContact O-C 3.49Å; H351-I438 WeakPolarHBondContact O-CA 3.36Å; H351-T439 PolarHBondContact O-N 2.89Å
352Y88.1Confident79.1Confident46 Ų4648.9 Ų48.918%0.1828%0.28CS..EExtended strand (participates in β ladder)trans-127.8131.5-177.6-57.8-84.6000108.8I300 V309 V311 L327 H350 T439 F441I300-Y352 HydrophobicContact CD1-CD2 4.02Å; I300-Y352 HydrophobicContact CD1-CG 4.21Å; I300-Y352 HydrophobicContact CG1-CD2 4.2Å; I300-Y352 HydrophobicContact CG1-CG 4.02Å; V309-Y352 HydrophobicContact CB-CD1 4.48Å; V309-Y352 HydrophobicContact CB-CE1 3.83Å; V309-Y352 HydrophobicContact CB-CE2 4.25Å; V309-Y352 HydrophobicContact CG1-CD1 4Å; V309-Y352 HydrophobicContact CG1-CE1 3.67Å; V309-Y352 HydrophobicContact CG2-CD1 4.34Å; V309-Y352 HydrophobicContact CG2-CD2 3.98Å; V309-Y352 HydrophobicContact CG2-CE1 3.95Å; V309-Y352 HydrophobicContact CG2-CE2 3.53Å; V309-Y352 HydrophobicContact CG2-CG 4.37Å; V311-Y352 HydrophobicContact CG2-CE2 4.33Å; L327-Y352 HydrophobicContact CD2-CD2 3.93Å; L327-Y352 HydrophobicContact CD2-CE2 3.54Å; H350-Y352 HydrophobicContact CB-CE2 4.18Å; Y352-T439 CarbonylContact C-O 3.46Å; Y352-T439 VanDerWaalsContact CA-O 3.3Å; Y352-T439 WeakPolarHBondContact CA-O 3.46Å; Y352-T439 HydrophobicContact CD1-CG2 4.13Å; Y352-T439 HydrophobicContact CE1-CG2 4.36Å; Y352-F441 AromaticContact CD1-CE2 3.96Å; Y352-F441 HydrophobicContact CD1-CE2 3.96Å; Y352-F441 HydrophobicContact CD1-CZ 4.09Å
353L86.3Confident77.8Confident64 Ų6456.1 Ų56.134%0.33530%0.297SS..EExtended strand (participates in β ladder)trans-131.9134.4-179.7-173.370.2000109.4V355 T439 M440 F441L353-V355 HydrophobicContact CD2-CG1 3.63Å; L353-V355 HydrophobicContact CG-CG1 3.84Å; L353-T439 PolarHBondContact N-O 3.17Å; L353-M440 HydrophobicContact CB-CG 4.15Å; L353-M440 HydrophobicContact CD2-CG 4.4Å; L353-M440 CarbonylContact O-C 3.57Å; L353-M440 VanDerWaalsContact O-CA 3.27Å; L353-M440 WeakPolarHBondContact O-CA 3.31Å; L353-F441 PolarHBondContact O-N 2.77Å
354S84.9Confident76.6Confident31 Ų3154.6 Ų54.622%0.21730%0.297CS..EExtended strand (participates in β ladder)trans-100.9130.6168.7-165.80000109.7T302 Y303 F441T302-S354 WeakPolarHBondContact CA-OG 3.37Å; Y303-S354 WeakPolarHBondContact CD2-OG 3.11Å; Y303-S354 PolarHBondContact N-OG 3.24Å; S354-F441 WeakPolarHBondContact CA-O 3.4Å
355V80.4Confident75.3Confident33 Ų3355.9 Ų55.920%0.230%0.301CS..EExtended strand (participates in β ladder)trans-134.5157.6-179.7-59.90000110.7L353 F441 I442 S443L353-V355 HydrophobicContact CD2-CG1 3.63Å; L353-V355 HydrophobicContact CG-CG1 3.84Å; V355-F441 PolarHBondContact N-O 2.93Å; V355-I442 HydrophobicContact CG2-CB 4.25Å; V355-I442 HydrophobicContact CG2-CD1 4.48Å; V355-I442 HydrophobicContact CG2-CG1 3.65Å; V355-I442 HydrophobicContact CG2-CG2 4.41Å; V355-I442 CarbonylContact O-C 3.41Å; V355-I442 VanDerWaalsContact O-CA 3.32Å; V355-I442 WeakPolarHBondContact O-CA 3.03Å; V355-S443 PolarHBondContact O-N 3.23Å
356V77.8Confident74.2Confident9 Ų957.2 Ų57.26%0.05531%0.306CS..EExtended strand (participates in β ladder)trans-92.8141.8178.8-172.20000108.8Y303 N358 L359 Y445 E446 F447Y303-V356 HydrophobicContact CD2-CG2 4.17Å; Y303-V356 HydrophobicContact CE1-CG2 4.48Å; Y303-V356 HydrophobicContact CE2-CG2 3.93Å; V356-N358 PolarHBondContact O-N 3.16Å; V356-N358 VanDerWaalsContact O-N 3.11Å; V356-L359 HydrophobicContact CB-CD1 3.71Å; V356-L359 HydrophobicContact CB-CG 4Å; V356-L359 HydrophobicContact CG2-CD1 3.76Å; V356-L359 PolarHBondContact O-N 2.97Å; V356-Y445 WeakPolarHBondContact CG1-O 3.13Å; V356-E446 HydrophobicContact CG1-CB 4.4Å; V356-E446 HydrophobicContact CG1-CG 4.38Å; V356-F447 HydrophobicContact CG2-CD2 4.44Å
357S69.8Low72.9Confident30 Ų3064 Ų6421%0.2133%0.329CS..THydrogen-bonded Turntrans-55.1-26.5-174.350.50000116.4S443S357-S443 WeakPolarHBondContact CB-O 3.4Å; S357-S443 PolarHBondContact N-O 2.87Å; S357-S443 PolarHBondContact OG-O 3.39Å
358N65.5Low71.5Confident105 Ų10565.4 Ų65.456%0.56134%0.337SS*.THydrogen-bonded Turntrans-107.36.8-177-155.516.1000114.3V356 E446V356-N358 PolarHBondContact O-N 3.16Å; V356-N358 VanDerWaalsContact O-N 3.11Å; N358-E446 HydrophobicContact CB-CG 3.98Å; N358-E446 WeakPolarHBondContact CB-OE1 3.27Å; N358-E446 VanDerWaalsContact ND2-CD 3.3Å; N358-E446 PolarHBondContact ND2-OE1 3.25Å; N358-E446 PolarHBondContact ND2-OE2 3.47Å
359L57.3Low69.7Low114 Ų11468.2 Ų68.260%0.59736%0.358SS*.SBendtrans-84.5124.1174.1-71.5173000109.9V356 A361V356-L359 HydrophobicContact CB-CD1 3.71Å; V356-L359 HydrophobicContact CB-CG 4Å; V356-L359 HydrophobicContact CG2-CD1 3.76Å; V356-L359 PolarHBondContact O-N 2.97Å; L359-A361 PolarHBondContact O-N 2.71Å
360S56.2Low67.9Low108 Ų10868.5 Ų68.576%0.75536%0.362SS*.PPolyproline II helixtrans-55.3135.2163.460.90000108.6
361A55Low66.2Low25 Ų2576.2 Ų76.221%0.20740%0.403CS..PPolyproline II helixtrans-51.5145.5-176.200000112L359 R363 M365 L406L359-A361 PolarHBondContact O-N 2.71Å; A361-R363 PolarHBondContact O-N 3.43Å; A361-M365 HydrophobicContact CB-CE 4.05Å; A361-L406 HydrophobicContact CB-CB 3.25Å; A361-L406 HydrophobicContact CB-CD2 4.42Å; A361-L406 HydrophobicContact CB-CG 4.43Å
362P54.8Low64.9Low60 Ų6074.2 Ų74.239%0.3939%0.392SS..PPolyproline II helixtrans-51.1138.5175-14.523.1000108T364 M365P362-T364 VanDerWaalsContact C-N 3.31Å; P362-T364 PolarHBondContact O-N 3.19Å; P362-M365 HydrophobicContact CB-CG 4.4Å; P362-M365 HydrophobicContact CG-CG 4.2Å
363R52.9Low63.7Low215 Ų21578.7 Ų78.781%0.81142%0.418SS*.SBendtrans-51.2-59174.7-71.5-175179.5-1690.8107A361 Q403A361-R363 PolarHBondContact O-N 3.43Å; R363-Q403 WeakPolarHBondContact O-CG 3.41Å; R363-Q403 PolarHBondContact O-NE2 3.09Å
364T57.8Low62.3Low93 Ų9384 Ų8457%0.57144%0.443SS*.  trans-106.6110.9178.551.50000113.1P362 Q403P362-T364 VanDerWaalsContact C-N 3.31Å; P362-T364 PolarHBondContact O-N 3.19Å; T364-Q403 HydrophobicContact CG2-CG 4.19Å
365M60.3Low61.4Low36 Ų3684.2 Ų84.218%0.17745%0.451CS..SBendtrans-84.8-27.2176.7-70.1-155.7-118.600114.7A361 P362 F392 L404 M440A361-M365 HydrophobicContact CB-CE 4.05Å; P362-M365 HydrophobicContact CB-CG 4.4Å; P362-M365 HydrophobicContact CG-CG 4.2Å; M365-F392 HydrophobicContact CE-CD1 3.96Å; M365-F392 HydrophobicContact CE-CE1 3.97Å; M365-L404 HydrophobicContact CB-CB 4.02Å; M365-L404 VanDerWaalsContact CE-C 3.47Å; M365-L404 HydrophobicContact CE-CB 3.64Å; M365-L404 HydrophobicContact CE-CD2 3.61Å; M365-L404 HydrophobicContact CE-CG 3.51Å; M365-L404 WeakPolarHBondContact CE-O 3.15Å; M365-L404 HydrophobicContact CG-CB 4.26Å; M365-L404 WeakPolarHBondContact CG-O 3.42Å; M365-L404 HydrophobicContact SD-CB 4.15Å; M365-L404 HydrophobicContact SD-CD2 3.87Å; M365-L404 HydrophobicContact SD-CG 4.28Å; M365-M440 HydrophobicContact CE-SD 4.45Å; M365-M440 HydrophobicContact SD-SD 4.01Å
366F67.2Low61.1Low36 Ų3684 Ų8416%0.15845%0.448CS..  trans-151151.4172.560.6-90.2000110.5V368 F380 L404 V420 M422 I438F366-V368 HydrophobicContact CD2-CG2 4.34Å; F366-F380 HydrophobicContact CE2-CD1 4.24Å; F366-F380 AromaticContact CE2-CE1 3.98Å; F366-F380 HydrophobicContact CE2-CE1 3.98Å; F366-F380 HydrophobicContact CZ-CD1 4.49Å; F366-L404 HydrophobicContact CD1-CB 4.37Å; F366-L404 HydrophobicContact CE1-CB 3.88Å; F366-V420 HydrophobicContact CE1-CG2 4.05Å; F366-V420 HydrophobicContact CZ-CB 4.17Å; F366-V420 HydrophobicContact CZ-CG1 3.94Å; F366-V420 HydrophobicContact CZ-CG2 4.11Å; F366-M422 HydrophobicContact CE2-SD 4.4Å; F366-I438 HydrophobicContact CD1-CD1 3.49Å; F366-I438 VanDerWaalsContact CD1-CD1 3.49Å; F366-I438 HydrophobicContact CE1-CD1 3.74Å; F366-I438 HydrophobicContact CG-CD1 4.47Å
367R63.6Low61Low185 Ų18585.6 Ų85.670%0.69846%0.458SS*.  trans-121.8141.2174.7-163.8179.2-178.3158.70.9107.9T401R367-T401 HydrophobicContact CG-CG2 3.52Å
368V63.3Low61.6Low36 Ų3684.3 Ų84.322%0.21845%0.449CS..  trans-106.7112.2172-173.20000107.5F366 A370 L378 F380 Q400 M422F366-V368 HydrophobicContact CD2-CG2 4.34Å; V368-A370 PolarHBondContact O-N 3.34Å; V368-L378 HydrophobicContact CB-CD1 4.14Å; V368-L378 HydrophobicContact CG1-CD1 4.03Å; V368-F380 HydrophobicContact CG2-CE1 4.16Å; V368-F380 HydrophobicContact CG2-CZ 4.36Å; V368-Q400 WeakPolarHBondContact CB-O 3.41Å; V368-Q400 VanDerWaalsContact O-O 3.08Å; V368-M422 HydrophobicContact CG2-SD 3.81Å
369S52.8Low62.5Low75 Ų7587.6 Ų87.652%0.52445%0.454SS..  trans-84.2109174.3-61.50000108.7E114E114-S369 WeakPolarHBondContact OE1-CB 3.2Å; E114-S369 PolarHBondContact OE1-OG 2.9Å
370A54.2Low63.8Low26 Ų2683.6 Ų83.622%0.21543%0.431CS..  trans-143121171.400000109.8V368 R372 Q400V368-A370 PolarHBondContact O-N 3.34Å; A370-R372 HydrophobicContact CB-CG 4.11Å; A370-R372 PolarHBondContact O-N 3.47Å; A370-Q400 PolarHBondContact O-NE2 2.04Å
371L53.3Low65.3Low190 Ų19080 Ų80100%0.99541%0.406SS*.  trans-65.5112.8165.3-74.4162.2000107.5
372R61.8Low66.8Low41 Ų4180.7 Ų80.716%0.15541%0.406CS..  trans-122.6142-177.3-71.3-172.6-159.4-83.7-20.7111.6A370 D376 E424A370-R372 HydrophobicContact CB-CG 4.11Å; A370-R372 PolarHBondContact O-N 3.47Å; R372-D376 HydrophobicContact CB-CB 4.07Å; R372-D376 HydrophobicContact CG-CB 4.18Å; R372-E424 IonicContact CZ-OE1 2.64Å; R372-E424 IonicContact NH1-OE1 2.64Å; R372-E424 PolarHBondContact NH1-OE1 3.04Å; R372-E424 IonicContact NH2-OE1 2.95Å; R372-E424 PolarHBondContact NH2-OE1 3.31Å
373L62Low68.2Low141 Ų14179.7 Ų79.774%0.73840%0.398SS*.  trans-82.4167.3175.2-71.4161000110.5G375 D376L373-G375 PolarHBondContact O-N 3.37Å; L373-G375 VanDerWaalsContact O-N 3.09Å; L373-D376 PolarHBondContact N-OD2 3.43Å; L373-D376 PolarHBondContact O-N 3Å
374M58.1Low68.7Low174 Ų17472.2 Ų72.286%0.85739%0.387SS*.THydrogen-bonded Turntrans-63.6109.8174.3-72.8-71.3109.600110.4
375G64.5Low68.6Low36 Ų3679 Ų7937%0.37140%0.402SS..THydrogen-bonded Turntrans129.6-16.1179.300000114.4L373L373-G375 PolarHBondContact O-N 3.37Å; L373-G375 VanDerWaalsContact O-N 3.09Å
376D74.6Confident68.6Low28 Ų2880.6 Ų80.615%0.1543%0.429CS..EExtended strand (participates in β ladder)trans-86.2142.8179.6-54.8-27.4000111.3R372 L373 L425R372-D376 HydrophobicContact CB-CB 4.07Å; R372-D376 HydrophobicContact CG-CB 4.18Å; L373-D376 PolarHBondContact N-OD2 3.43Å; L373-D376 PolarHBondContact O-N 3Å; D376-L425 VanDerWaalsContact CA-O 3.32Å; D376-L425 WeakPolarHBondContact CA-O 3.38Å
377T77Confident68.2Low44 Ų4486.3 Ų86.327%0.2746%0.456SS..EExtended strand (participates in β ladder)trans-138.7142.8176610000111.8L425T377-L425 PolarHBondContact N-O 2.74Å; T377-L425 PolarHBondContact O-N 3.24Å
378L81.4Confident68.2Low3 Ų378.7 Ų78.72%0.01643%0.432CS..EExtended strand (participates in β ladder)trans-93.1138.1161.4-73.8176.9000110.6V368 F380 R396 T423 E424V368-L378 HydrophobicContact CB-CD1 4.14Å; V368-L378 HydrophobicContact CG1-CD1 4.03Å; L378-F380 HydrophobicContact CB-CE2 3.8Å; L378-F380 HydrophobicContact CB-CZ 3.99Å; L378-F380 HydrophobicContact CD1-CE2 4.39Å; L378-F380 HydrophobicContact CD1-CZ 3.81Å; L378-R396 PolarHBondContact O-NH1 2.87Å; L378-R396 PolarHBondContact O-NH2 2.84Å; L378-T423 WeakPolarHBondContact CA-O 3.36Å; L378-E424 HydrophobicContact CD2-CB 4.15Å
379R83.4Confident68.4Low174 Ų17485.9 Ų85.966%0.65746%0.455SS*.EExtended strand (participates in β ladder)trans-112.7134.6165.6-172.3176.3-176.2175.51.3109M422 T423R379-M422 CarbonylContact O-C 3.57Å; R379-M422 VanDerWaalsContact O-CA 3.31Å; R379-M422 WeakPolarHBondContact O-CA 3.46Å; R379-T423 PolarHBondContact N-O 2.81Å; R379-T423 PolarHBondContact O-N 2.7Å
380F86.2Confident69.3Low29 Ų2992 Ų9213%0.12747%0.467CS..EExtended strand (participates in β ladder)trans-110.7141.4176.1-57.5-93.2000110.2F366 V368 L378 V394 V420 E421 M422F366-F380 HydrophobicContact CE2-CD1 4.24Å; F366-F380 AromaticContact CE2-CE1 3.98Å; F366-F380 HydrophobicContact CE2-CE1 3.98Å; F366-F380 HydrophobicContact CZ-CD1 4.49Å; V368-F380 HydrophobicContact CG2-CE1 4.16Å; V368-F380 HydrophobicContact CG2-CZ 4.36Å; L378-F380 HydrophobicContact CB-CE2 3.8Å; L378-F380 HydrophobicContact CB-CZ 3.99Å; L378-F380 HydrophobicContact CD1-CE2 4.39Å; L378-F380 HydrophobicContact CD1-CZ 3.81Å; F380-V394 HydrophobicContact CB-CG1 3.63Å; F380-V394 HydrophobicContact CG-CG1 4.38Å; F380-V420 HydrophobicContact CB-CG1 4.43Å; F380-V420 HydrophobicContact CD1-CG1 4.27Å; F380-E421 CarbonylContact C-O 3.56Å; F380-E421 VanDerWaalsContact CA-O 3.29Å; F380-E421 WeakPolarHBondContact CA-O 3.48Å; F380-M422 HydrophobicContact CD1-CB 4.5Å; F380-M422 HydrophobicContact CD1-CG 3.54Å; F380-M422 HydrophobicContact CD1-SD 4.39Å; F380-M422 HydrophobicContact CE1-CG 3.59Å; F380-M422 HydrophobicContact CE1-SD 3.96Å
381S86.1Confident70.5Confident33 Ų3392.8 Ų92.823%0.23147%0.466CS..EExtended strand (participates in β ladder)trans-141135.317546.70000109.1V420 E421S381-V420 WeakPolarHBondContact O-CA 3Å; S381-E421 PolarHBondContact N-O 2.72Å; S381-E421 PolarHBondContact O-N 3.39Å; S381-E421 VanDerWaalsContact OG-CB 3.23Å; S381-E421 WeakPolarHBondContact OG-CB 3.41Å; S381-E421 VanDerWaalsContact OG-CD 3.27Å; S381-E421 VanDerWaalsContact OG-CG 3.23Å; S381-E421 WeakPolarHBondContact OG-CG 3.39Å; S381-E421 PolarHBondContact OG-OE2 3.1Å
382L87.5Confident71.9Confident39 Ų3984 Ų8420%0.20442%0.42CS..EExtended strand (participates in β ladder)trans-81.7119.3170.7-168.468000108.3R389 F392 V394 L404 A418 E419 V420L382-R389 HydrophobicContact CD2-CG 4.19Å; L382-F392 HydrophobicContact CD2-CB 4.07Å; L382-F392 VanDerWaalsContact CD2-O 3.26Å; L382-F392 WeakPolarHBondContact CD2-O 3.4Å; L382-V394 HydrophobicContact CB-CG2 3.87Å; L382-V394 HydrophobicContact CD1-CG2 3.95Å; L382-V394 HydrophobicContact CG-CG2 4.41Å; L382-L404 HydrophobicContact CD1-CD1 3.92Å; L382-A418 HydrophobicContact CD1-CB 4.35Å; L382-E419 WeakPolarHBondContact CD1-O 3.37Å; L382-V420 HydrophobicContact CD1-CG2 4.01Å
383L85.3Confident72.7Confident40 Ų4085.6 Ų85.621%0.20943%0.434CS..EExtended strand (participates in β ladder)trans-82.2149.8176.5-59.2-178.6000110.2E419 E421 I435L383-E419 HydrophobicContact CB-CB 3.84Å; L383-E419 HydrophobicContact CD1-CB 4.4Å; L383-E419 PolarHBondContact N-O 3.01Å; L383-E421 HydrophobicContact CD1-CB 3.85Å; L383-E421 HydrophobicContact CD2-CB 3.76Å; L383-E421 HydrophobicContact CG-CB 3.74Å; L383-I435 HydrophobicContact CD1-CD1 3.63Å; L383-I435 HydrophobicContact CD1-CG1 4.02Å; L383-I435 HydrophobicContact CD1-CG2 4.2Å
384G62.7Low73.6Confident57 Ų5780.9 Ų80.959%0.58841%0.411SS*.  trans-123.9120.7-172.200000113.9
385R54.4Low74.4Confident235 Ų23577.9 Ų77.989%0.88740%0.395SS*.SBendtrans-133.5113.1142.9-77.3-170.2177.6-154.90.2108.3
386G61.1Low74.7Confident71 Ų7181.6 Ų81.673%0.73240%0.398SS*.SBendtrans86.9-157.5170.100000117.5A388G386-A388 PolarHBondContact O-N 2.78Å; G386-A388 VanDerWaalsContact O-N 3.08Å
387Q60Low74.3Confident156 Ų15683 Ų8373%0.72941%0.41SS*.G310 helixtrans-59.2-16.5-173.1-74.7176.5-36.700114.6R389 R390Q387-R389 VanDerWaalsContact C-N 3.34Å; Q387-R389 PolarHBondContact O-N 3.06Å; Q387-R390 WeakPolarHBondContact O-CB 3.49Å; Q387-R390 PolarHBondContact O-N 3.12Å; Q387-R390 VanDerWaalsContact O-N 3.09Å
388A61.8Low73.9Confident25 Ų2584.2 Ų84.221%0.20742%0.415CS..G310 helixtrans-50.2-41.2-178.600000115.4G386 R390 H391 F392 E417G386-A388 PolarHBondContact O-N 2.78Å; G386-A388 VanDerWaalsContact O-N 3.08Å; A388-R390 PolarHBondContact O-N 3.21Å; A388-H391 PolarHBondContact O-N 3.1Å; A388-F392 WeakPolarHBondContact O-CD2 3.36Å; A388-E417 WeakPolarHBondContact CB-O 3.43Å
389R68.8Low73.2Confident186 Ų18690.7 Ų90.770%0.70244%0.439SS*.G310 helixtrans-68.1-18.4-177.5-167.9174.2178.3-165.2-0.7113.4L382 Q387 H391L382-R389 HydrophobicContact CD2-CG 4.19Å; Q387-R389 VanDerWaalsContact C-N 3.34Å; Q387-R389 PolarHBondContact O-N 3.06Å; R389-H391 VanDerWaalsContact C-N 3.32Å
390R72.3Confident72.4Confident205 Ų20585.7 Ų85.777%0.77442%0.423SS*.G310 helixtrans-76.7-23.3-177.8-62.4-174.9176.8-143.4-0.4112.8Q387 A388 S408Q387-R390 WeakPolarHBondContact O-CB 3.49Å; Q387-R390 PolarHBondContact O-N 3.12Å; Q387-R390 VanDerWaalsContact O-N 3.09Å; A388-R390 PolarHBondContact O-N 3.21Å; R390-S408 PolarHBondContact O-OG 3.05Å; R390-S408 VanDerWaalsContact O-OG 3.07Å
391H78.3Confident71.5Confident42 Ų4284.9 Ų84.919%0.19442%0.42CS..THydrogen-bonded Turntrans-96.3-26.7-176.5-64.4-63000112.4A388 R389 L406 G407 S408 V410 L416A388-H391 PolarHBondContact O-N 3.1Å; R389-H391 VanDerWaalsContact C-N 3.32Å; H391-L406 HydrophobicContact CB-CD1 3.93Å; H391-L406 CarbonylContact O-C 3.57Å; H391-L406 VanDerWaalsContact O-CA 3.28Å; H391-L406 WeakPolarHBondContact O-CA 3.2Å; H391-L406 VanDerWaalsContact O-CD1 3.31Å; H391-L406 WeakPolarHBondContact O-CD1 3.26Å; H391-G407 PolarHBondContact O-N 2.79Å; H391-S408 PolarHBondContact ND1-OG 3.43Å; H391-V410 HydrophobicContact CB-CG2 4.43Å; H391-V410 WeakPolarHBondContact ND1-CG2 3.25Å; H391-L416 HydrophobicContact CB-CD1 4.28Å
392F81.9Confident71Confident5 Ų583.3 Ų83.32%0.02241%0.41CS..EExtended strand (participates in β ladder)trans-122.4145.9-171.4-55.7-76.1000114.3M365 L382 A388 L404 V405 L406 L416 A418 M440M365-F392 HydrophobicContact CE-CD1 3.96Å; M365-F392 HydrophobicContact CE-CE1 3.97Å; L382-F392 HydrophobicContact CD2-CB 4.07Å; L382-F392 VanDerWaalsContact CD2-O 3.26Å; L382-F392 WeakPolarHBondContact CD2-O 3.4Å; A388-F392 WeakPolarHBondContact O-CD2 3.36Å; F392-L404 HydrophobicContact CB-CD1 3.81Å; F392-L404 HydrophobicContact CB-CG 4.24Å; F392-L404 HydrophobicContact CD1-CD1 4.47Å; F392-L404 HydrophobicContact CD1-CD2 4.02Å; F392-L404 HydrophobicContact CD1-CG 3.99Å; F392-L404 HydrophobicContact CE1-CD2 4.47Å; F392-L404 HydrophobicContact CG-CD1 4.32Å; F392-L404 HydrophobicContact CG-CD2 4.35Å; F392-L404 HydrophobicContact CG-CG 4.32Å; F392-V405 CarbonylContact C-O 3.41Å; F392-V405 VanDerWaalsContact CA-O 3.31Å; F392-V405 WeakPolarHBondContact CA-O 3.33Å; F392-L406 HydrophobicContact CD1-CD1 3.97Å; F392-L406 HydrophobicContact CE1-CB 4.43Å; F392-L406 HydrophobicContact CE1-CD1 3.48Å; F392-L406 VanDerWaalsContact CE1-CD1 3.48Å; F392-L406 HydrophobicContact CZ-CD1 3.89Å; F392-L416 HydrophobicContact CE2-CB 3.95Å; F392-L416 HydrophobicContact CE2-CD1 3.84Å; F392-L416 HydrophobicContact CZ-CB 4.02Å; F392-L416 HydrophobicContact CZ-CD1 3.52Å; F392-L416 HydrophobicContact CZ-CG 4.45Å; F392-A418 HydrophobicContact CD2-CB 4.01Å; F392-A418 HydrophobicContact CE2-CB 4.33Å; F392-A418 HydrophobicContact CG-CB 4.37Å; F392-M440 HydrophobicContact CD1-CE 4.49Å; F392-M440 HydrophobicContact CD2-CE 4.46Å; F392-M440 HydrophobicContact CE1-CE 3.64Å; F392-M440 HydrophobicContact CE1-SD 3.57Å; F392-M440 VanDerWaalsContact CE1-SD 3.57Å; F392-M440 HydrophobicContact CE2-CE 3.61Å; F392-M440 HydrophobicContact CZ-CE 3.13Å; F392-M440 HydrophobicContact CZ-SD 3.51Å; F392-M440 VanDerWaalsContact CZ-SD 3.51Å
393T80.5Confident70.4Confident75 Ų7582.9 Ų82.946%0.4641%0.407SS..EExtended strand (participates in β ladder)trans-122.7151.5164.260.50000109V405T393-V405 PolarHBondContact N-O 3.47Å; T393-V405 PolarHBondContact O-N 2.96Å
394V79.9Confident70.1Confident41 Ų4181 Ų8125%0.24840%0.397CS..EExtended strand (participates in β ladder)trans-109.3112.9173.7-179.50000107.4F380 L382 Q403 L404 V420F380-V394 HydrophobicContact CB-CG1 3.63Å; F380-V394 HydrophobicContact CG-CG1 4.38Å; L382-V394 HydrophobicContact CB-CG2 3.87Å; L382-V394 HydrophobicContact CD1-CG2 3.95Å; L382-V394 HydrophobicContact CG-CG2 4.41Å; V394-Q403 CarbonylContact C-O 3.57Å; V394-Q403 WeakPolarHBondContact CA-O 3.15Å; V394-L404 HydrophobicContact CG2-CD1 3.62Å; V394-V420 HydrophobicContact CG1-CG1 4.48Å; V394-V420 HydrophobicContact CG2-CG1 4.26Å; V394-V420 HydrophobicContact CG2-CG2 4Å
395Q75.7Confident70.8Confident111 Ų11180 Ų8052%0.51938%0.379SS..EExtended strand (participates in β ladder)trans-101.7140175.6-175.8172.19.300109.4Q403 V405Q395-Q403 HydrophobicContact CB-CB 4.36Å; Q395-Q403 PolarHBondContact N-O 3.49Å; Q395-Q403 WeakPolarHBondContact O-CA 3.08Å; Q395-Q403 VanDerWaalsContact O-CB 3.3Å; Q395-Q403 WeakPolarHBondContact O-CB 3.42Å; Q395-Q403 PolarHBondContact O-N 3.29Å; Q395-V405 HydrophobicContact CB-CG2 4.28Å
396R70.6Confident71.9Confident114 Ų11470.8 Ų70.843%0.4335%0.347SS..EExtended strand (participates in β ladder)trans-89.1121.7174.2-170.7177.9-174161.711.7108.9L378 D398 R399L378-R396 PolarHBondContact O-NH1 2.87Å; L378-R396 PolarHBondContact O-NH2 2.84Å; R396-D398 WeakPolarHBondContact CD-O 3.45Å; R396-D398 WeakPolarHBondContact CG-O 3.36Å; R396-D398 PolarHBondContact NE-O 2.86Å; R396-R399 PolarHBondContact NH2-O 3Å
397S64.6Low72.5Confident58 Ų5870.1 Ų70.141%0.40634%0.341SS..  trans-86.9-35.7176.435.60000112.1T401S397-T401 WeakPolarHBondContact CB-OG1 3.4Å; S397-T401 PolarHBondContact N-O 3.11Å; S397-T401 VanDerWaalsContact OG-CB 3.26Å; S397-T401 WeakPolarHBondContact OG-CB 3.06Å; S397-T401 PolarHBondContact OG-O 3.42Å; S397-T401 PolarHBondContact OG-OG1 2.91Å
398D69.2Low73.2Confident70 Ų7064.3 Ų64.337%0.37432%0.317SS..SBendtrans-159.6-161.5171.963.833.8000112.1R396 Q400 T401R396-D398 WeakPolarHBondContact CD-O 3.45Å; R396-D398 WeakPolarHBondContact CG-O 3.36Å; R396-D398 PolarHBondContact NE-O 2.86Å; D398-Q400 VanDerWaalsContact C-N 3.26Å; D398-Q400 PolarHBondContact O-N 2.98Å; D398-Q400 WeakPolarHBondContact OD1-CA 3.27Å; D398-Q400 PolarHBondContact OD1-N 2.9Å; D398-T401 PolarHBondContact N-OG1 2.88Å; D398-T401 WeakPolarHBondContact OD1-CB 3.33Å; D398-T401 PolarHBondContact OD1-N 2.83Å; D398-T401 PolarHBondContact OD1-OG1 3.31Å; D398-T401 PolarHBondContact OD2-OG1 3.07Å
399R67.6Low73.8Confident139 Ų13969 Ų6953%0.52535%0.346SS..SBendtrans-67.4-23.3178.8-72.6-166178.9-176.32.4114.6R396R396-R399 PolarHBondContact NH2-O 3Å
400Q65.4Low74.3Confident69 Ų6961 Ų6132%0.32232%0.317SS..SBendtrans-112.5-19.2-171-62.7178-6.500112.8V368 A370 D398V368-Q400 WeakPolarHBondContact CB-O 3.41Å; V368-Q400 VanDerWaalsContact O-O 3.08Å; A370-Q400 PolarHBondContact O-NE2 2.04Å; D398-Q400 VanDerWaalsContact C-N 3.26Å; D398-Q400 PolarHBondContact O-N 2.98Å; D398-Q400 WeakPolarHBondContact OD1-CA 3.27Å; D398-Q400 PolarHBondContact OD1-N 2.9Å
401T68.7Low74.6Confident11 Ų1159.6 Ų59.67%0.06732%0.32CS..  trans-121.3136.4-169.461.10000112R367 S397 D398R367-T401 HydrophobicContact CG-CG2 3.52Å; S397-T401 WeakPolarHBondContact CB-OG1 3.4Å; S397-T401 PolarHBondContact N-O 3.11Å; S397-T401 VanDerWaalsContact OG-CB 3.26Å; S397-T401 WeakPolarHBondContact OG-CB 3.06Å; S397-T401 PolarHBondContact OG-O 3.42Å; S397-T401 PolarHBondContact OG-OG1 2.91Å; D398-T401 PolarHBondContact N-OG1 2.88Å; D398-T401 WeakPolarHBondContact OD1-CB 3.33Å; D398-T401 PolarHBondContact OD1-N 2.83Å; D398-T401 PolarHBondContact OD1-OG1 3.31Å; D398-T401 PolarHBondContact OD2-OG1 3.07Å
402G73.9Confident74.7Confident1 Ų158.5 Ų58.51%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-121.6134.7176.200000109.2
403Q76Confident74.9Confident29 Ų2962.7 Ų62.714%0.13635%0.347CS..EExtended strand (participates in β ladder)trans-114.1113-172.3-168.7-178.6-2100108.7R363 T364 V394 Q395 V405R363-Q403 WeakPolarHBondContact O-CG 3.41Å; R363-Q403 PolarHBondContact O-NE2 3.09Å; T364-Q403 HydrophobicContact CG2-CG 4.19Å; V394-Q403 CarbonylContact C-O 3.57Å; V394-Q403 WeakPolarHBondContact CA-O 3.15Å; Q395-Q403 HydrophobicContact CB-CB 4.36Å; Q395-Q403 PolarHBondContact N-O 3.49Å; Q395-Q403 WeakPolarHBondContact O-CA 3.08Å; Q395-Q403 VanDerWaalsContact O-CB 3.3Å; Q395-Q403 WeakPolarHBondContact O-CB 3.42Å; Q395-Q403 PolarHBondContact O-N 3.29Å; Q403-V405 HydrophobicContact CB-CG2 4.48Å; Q403-V405 HydrophobicContact CG-CG2 3.82Å
404L79.6Confident75.1Confident0 Ų060.4 Ų60.40%034%0.336CS..EExtended strand (participates in β ladder)trans-79.7126.4167.4-16772.4000107.6M365 F366 L382 F392 V394 A418 V420 I438 M440M365-L404 HydrophobicContact CB-CB 4.02Å; M365-L404 VanDerWaalsContact CE-C 3.47Å; M365-L404 HydrophobicContact CE-CB 3.64Å; M365-L404 HydrophobicContact CE-CD2 3.61Å; M365-L404 HydrophobicContact CE-CG 3.51Å; M365-L404 WeakPolarHBondContact CE-O 3.15Å; M365-L404 HydrophobicContact CG-CB 4.26Å; M365-L404 WeakPolarHBondContact CG-O 3.42Å; M365-L404 HydrophobicContact SD-CB 4.15Å; M365-L404 HydrophobicContact SD-CD2 3.87Å; M365-L404 HydrophobicContact SD-CG 4.28Å; F366-L404 HydrophobicContact CD1-CB 4.37Å; F366-L404 HydrophobicContact CE1-CB 3.88Å; L382-L404 HydrophobicContact CD1-CD1 3.92Å; F392-L404 HydrophobicContact CB-CD1 3.81Å; F392-L404 HydrophobicContact CB-CG 4.24Å; F392-L404 HydrophobicContact CD1-CD1 4.47Å; F392-L404 HydrophobicContact CD1-CD2 4.02Å; F392-L404 HydrophobicContact CD1-CG 3.99Å; F392-L404 HydrophobicContact CE1-CD2 4.47Å; F392-L404 HydrophobicContact CG-CD1 4.32Å; F392-L404 HydrophobicContact CG-CD2 4.35Å; F392-L404 HydrophobicContact CG-CG 4.32Å; V394-L404 HydrophobicContact CG2-CD1 3.62Å; L404-A418 HydrophobicContact CD1-CB 4.42Å; L404-A418 HydrophobicContact CD2-CB 3.7Å; L404-V420 HydrophobicContact CD1-CG2 3.98Å; L404-I438 HydrophobicContact CD2-CD1 4.01Å; L404-M440 HydrophobicContact CD2-CE 4.43Å
405V76.8Confident75.5Confident37 Ų3762.4 Ų62.422%0.22435%0.348CS..EExtended strand (participates in β ladder)trans-122.6136.2-177.6-177.20000108.5F392 T393 Q395 Q403 G407F392-V405 CarbonylContact C-O 3.41Å; F392-V405 VanDerWaalsContact CA-O 3.31Å; F392-V405 WeakPolarHBondContact CA-O 3.33Å; T393-V405 PolarHBondContact N-O 3.47Å; T393-V405 PolarHBondContact O-N 2.96Å; Q395-V405 HydrophobicContact CB-CG2 4.28Å; Q403-V405 HydrophobicContact CB-CG2 4.48Å; Q403-V405 HydrophobicContact CG-CG2 3.82Å; V405-G407 PolarHBondContact O-N 3.19Å
406L77.6Confident76Confident41 Ų4158 Ų5822%0.21533%0.329CS..EExtended strand (participates in β ladder)trans-80.7113.1173.4-173.879.1000109.2A361 H391 F392 S408 V410A361-L406 HydrophobicContact CB-CB 3.25Å; A361-L406 HydrophobicContact CB-CD2 4.42Å; A361-L406 HydrophobicContact CB-CG 4.43Å; H391-L406 HydrophobicContact CB-CD1 3.93Å; H391-L406 CarbonylContact O-C 3.57Å; H391-L406 VanDerWaalsContact O-CA 3.28Å; H391-L406 WeakPolarHBondContact O-CA 3.2Å; H391-L406 VanDerWaalsContact O-CD1 3.31Å; H391-L406 WeakPolarHBondContact O-CD1 3.26Å; F392-L406 HydrophobicContact CD1-CD1 3.97Å; F392-L406 HydrophobicContact CE1-CB 4.43Å; F392-L406 HydrophobicContact CE1-CD1 3.48Å; F392-L406 VanDerWaalsContact CE1-CD1 3.48Å; F392-L406 HydrophobicContact CZ-CD1 3.89Å; L406-S408 WeakPolarHBondContact CD2-O 3.22Å; L406-S408 WeakPolarHBondContact CG-O 3.18Å; L406-V410 HydrophobicContact CD1-CG2 3.91Å; L406-V410 HydrophobicContact CD2-CG2 4.37Å
407G74.2Confident76.8Confident58 Ų5856.9 Ų56.960%0.59833%0.328SS*.  trans-85.9-13.2-178.700000114.5H391 V405H391-G407 PolarHBondContact O-N 2.79Å; V405-G407 PolarHBondContact O-N 3.19Å
408S74.8Confident77.8Confident33 Ų3354.2 Ų54.223%0.23131%0.309CS..SBendtrans-141.3140.1175.351.70000111.1R390 H391 L406R390-S408 PolarHBondContact O-OG 3.05Å; R390-S408 VanDerWaalsContact O-OG 3.07Å; H391-S408 PolarHBondContact ND1-OG 3.43Å; L406-S408 WeakPolarHBondContact CD2-O 3.22Å; L406-S408 WeakPolarHBondContact CG-O 3.18Å
409P74.2Confident78.8Confident125 Ų12554.1 Ų54.181%0.81231%0.307SS*.  trans-61.6146.8177.127.5-34.2000110.3
410V77.9Confident79.8Confident16 Ų1647.5 Ų47.510%0.09728%0.282CS..  trans-128.4116.2-178.1-175.70000109.3H391 L406 A414 L416 I442H391-V410 HydrophobicContact CB-CG2 4.43Å; H391-V410 WeakPolarHBondContact ND1-CG2 3.25Å; L406-V410 HydrophobicContact CD1-CG2 3.91Å; L406-V410 HydrophobicContact CD2-CG2 4.37Å; V410-A414 HydrophobicContact CG1-CB 4.04Å; V410-L416 HydrophobicContact CB-CD1 4.38Å; V410-L416 HydrophobicContact CG1-CD1 4.13Å; V410-L416 HydrophobicContact CG2-CD1 3.92Å; V410-I442 HydrophobicContact CB-CD1 3.68Å; V410-I442 HydrophobicContact CG1-CD1 3.4Å; V410-I442 HydrophobicContact CG2-CD1 4.44Å
411Q79.5Confident80.9Confident177 Ų17745.6 Ų45.683%0.82727%0.273SS*.PPolyproline II helixtrans-72.9131.2174-66.3-176.8-10.800109.5
412G79.4Confident81.9Confident18 Ų1845.9 Ų45.919%0.18627%0.274CS..SBendtrans-79159.7169.300000111
413P86.3Confident82.6Confident93 Ų9346.6 Ų46.660%0.60428%0.278SS*.SBendcis-85130.33.331.7-27.7000110.6I442 Q444P413-I442 VanDerWaalsContact CA-O 3.29Å; P413-I442 WeakPolarHBondContact CA-O 3.46Å; P413-Q444 HydrophobicContact CB-CB 4.13Å; P413-Q444 HydrophobicContact CG-CB 4.21Å
414A86.1Confident83.1Confident28 Ų2847.1 Ų47.123%0.23128%0.28CS..EExtended strand (participates in β ladder)trans-146.6150.7-178.300000111.7V410 I442V410-A414 HydrophobicContact CG1-CB 4.04Å; A414-I442 HydrophobicContact CB-CB 4.18Å; A414-I442 HydrophobicContact CB-CD1 4.28Å; A414-I442 PolarHBondContact N-O 3.34Å; A414-I442 WeakPolarHBondContact O-CA 3.35Å; A414-I442 WeakPolarHBondContact O-CB 3.33Å; A414-I442 PolarHBondContact O-N 2.96Å
415T87.3Confident83.4Confident82 Ų8249 Ų4950%0.50329%0.29SS..EExtended strand (participates in β ladder)trans-116.9123.2168.8-58.60000108.5T439 M440 F441T415-T439 HydrophobicContact CG2-CG2 3.89Å; T415-M440 WeakPolarHBondContact CA-O 3.49Å; T415-F441 HydrophobicContact CG2-CD1 3.92Å; T415-F441 HydrophobicContact CG2-CE1 3.85Å
416L86.1Confident83.9Confident20 Ų2051.1 Ų51.111%0.10530%0.297CS..EExtended strand (participates in β ladder)trans-115.4146.5178.7-59.3-179.2000110.2H391 F392 V410 T439 M440 I442H391-L416 HydrophobicContact CB-CD1 4.28Å; F392-L416 HydrophobicContact CE2-CB 3.95Å; F392-L416 HydrophobicContact CE2-CD1 3.84Å; F392-L416 HydrophobicContact CZ-CB 4.02Å; F392-L416 HydrophobicContact CZ-CD1 3.52Å; F392-L416 HydrophobicContact CZ-CG 4.45Å; V410-L416 HydrophobicContact CB-CD1 4.38Å; V410-L416 HydrophobicContact CG1-CD1 4.13Å; V410-L416 HydrophobicContact CG2-CD1 3.92Å; L416-T439 CarbonylContact O-C 3.43Å; L416-T439 WeakPolarHBondContact O-CA 3.18Å; L416-M440 HydrophobicContact CB-CB 4.4Å; L416-M440 HydrophobicContact CB-CE 4.29Å; L416-M440 PolarHBondContact N-O 2.84Å; L416-M440 PolarHBondContact O-N 3.47Å; L416-I442 HydrophobicContact CD1-CD1 3.47Å; L416-I442 VanDerWaalsContact CD1-CD1 3.47Å; L416-I442 HydrophobicContact CG-CD1 3.84Å
417E87.2Confident84.2Confident90 Ų9057.4 Ų57.442%0.42132%0.323SS..EExtended strand (participates in β ladder)trans-122.9134.9173.3-58.8-166.7140.800109.2A388 K437 I438 T439A388-E417 WeakPolarHBondContact CB-O 3.43Å; E417-K437 VanDerWaalsContact OE1-CE 3.25Å; E417-K437 WeakPolarHBondContact OE1-CE 3.21Å; E417-K437 IonicContact OE1-NZ 2.78Å; E417-K437 PolarHBondContact OE1-NZ 3.36Å; E417-K437 WeakPolarHBondContact OE2-CE 3.36Å; E417-K437 IonicContact OE2-NZ 2.81Å; E417-K437 PolarHBondContact OE2-NZ 3.19Å; E417-I438 CarbonylContact C-O 3.58Å; E417-I438 WeakPolarHBondContact CA-O 3.07Å; E417-T439 HydrophobicContact CG-CG2 4.45Å
418A86.9Confident84.5Confident1 Ų157.7 Ų57.71%0.00833%0.326CS..EExtended strand (participates in β ladder)trans-126.6128.2172.400000109.1L382 F392 L404 K437 I438 M440L382-A418 HydrophobicContact CD1-CB 4.35Å; F392-A418 HydrophobicContact CD2-CB 4.01Å; F392-A418 HydrophobicContact CE2-CB 4.33Å; F392-A418 HydrophobicContact CG-CB 4.37Å; L404-A418 HydrophobicContact CD1-CB 4.42Å; L404-A418 HydrophobicContact CD2-CB 3.7Å; A418-K437 CarbonylContact O-C 3.54Å; A418-K437 WeakPolarHBondContact O-CA 3.43Å; A418-I438 PolarHBondContact N-O 3.29Å; A418-I438 PolarHBondContact O-N 3.36Å; A418-M440 HydrophobicContact CB-CE 3.92Å
419E89.3Confident85Confident69 Ų6960.8 Ų60.832%0.32234%0.343SS..EExtended strand (participates in β ladder)trans-108.2119.2173.5-72.2-178-175.900108.6L382 L383 T436 K437L382-E419 WeakPolarHBondContact CD1-O 3.37Å; L383-E419 HydrophobicContact CB-CB 3.84Å; L383-E419 HydrophobicContact CD1-CB 4.4Å; L383-E419 PolarHBondContact N-O 3.01Å; E419-T436 CarbonylContact C-O 3.57Å; E419-T436 WeakPolarHBondContact CA-O 3.23Å; E419-K437 HydrophobicContact CG-CB 4.27Å; E419-K437 HydrophobicContact CG-CD 4.34Å; E419-K437 HydrophobicContact CG-CG 4.02Å
420V88.4Confident85.6Confident0 Ų059.4 Ų59.40%033%0.326CS..EExtended strand (participates in β ladder)trans-111.6125.5176.1-173.10000109.3F366 F380 S381 L382 V394 L404 I435 T436F366-V420 HydrophobicContact CE1-CG2 4.05Å; F366-V420 HydrophobicContact CZ-CB 4.17Å; F366-V420 HydrophobicContact CZ-CG1 3.94Å; F366-V420 HydrophobicContact CZ-CG2 4.11Å; F380-V420 HydrophobicContact CB-CG1 4.43Å; F380-V420 HydrophobicContact CD1-CG1 4.27Å; S381-V420 WeakPolarHBondContact O-CA 3Å; L382-V420 HydrophobicContact CD1-CG2 4.01Å; V394-V420 HydrophobicContact CG1-CG1 4.48Å; V394-V420 HydrophobicContact CG2-CG1 4.26Å; V394-V420 HydrophobicContact CG2-CG2 4Å; L404-V420 HydrophobicContact CD1-CG2 3.98Å; V420-I435 WeakPolarHBondContact O-CA 2.9Å; V420-T436 HydrophobicContact CB-CG2 3.73Å; V420-T436 HydrophobicContact CG2-CG2 4.49Å; V420-T436 PolarHBondContact N-O 3.05Å; V420-T436 PolarHBondContact O-N 3.28Å
421E89.9Confident86Confident28 Ų2862.9 Ų62.913%0.13134%0.344CS..EExtended strand (participates in β ladder)trans-91.8139.4169.2157.2-177-83.600110.3F380 S381 L383 R433 Y434F380-E421 CarbonylContact C-O 3.56Å; F380-E421 VanDerWaalsContact CA-O 3.29Å; F380-E421 WeakPolarHBondContact CA-O 3.48Å; S381-E421 PolarHBondContact N-O 2.72Å; S381-E421 PolarHBondContact O-N 3.39Å; S381-E421 VanDerWaalsContact OG-CB 3.23Å; S381-E421 WeakPolarHBondContact OG-CB 3.41Å; S381-E421 VanDerWaalsContact OG-CD 3.27Å; S381-E421 VanDerWaalsContact OG-CG 3.23Å; S381-E421 WeakPolarHBondContact OG-CG 3.39Å; S381-E421 PolarHBondContact OG-OE2 3.1Å; L383-E421 HydrophobicContact CD1-CB 3.85Å; L383-E421 HydrophobicContact CD2-CB 3.76Å; L383-E421 HydrophobicContact CG-CB 3.74Å; E421-R433 HydrophobicContact CG-CG 4.45Å; E421-R433 IonicContact OE1-CZ 3.49Å; E421-R433 IonicContact OE1-NE 3.06Å; E421-R433 PolarHBondContact OE1-NE 2.81Å; E421-R433 IonicContact OE1-NH2 3.44Å; E421-R433 PolarHBondContact OE1-NH2 3.44Å; E421-Y434 CarbonylContact C-O 3.42Å; E421-Y434 WeakPolarHBondContact CA-O 3.36Å
422M88.8Confident86.3Confident18 Ų1854.5 Ų54.59%0.08931%0.305CS..EExtended strand (participates in β ladder)trans-126.2119.2178.8-61.6167.5-72.500108.1F366 V368 R379 F380 R433 Y434 T436F366-M422 HydrophobicContact CE2-SD 4.4Å; V368-M422 HydrophobicContact CG2-SD 3.81Å; R379-M422 CarbonylContact O-C 3.57Å; R379-M422 VanDerWaalsContact O-CA 3.31Å; R379-M422 WeakPolarHBondContact O-CA 3.46Å; F380-M422 HydrophobicContact CD1-CB 4.5Å; F380-M422 HydrophobicContact CD1-CG 3.54Å; F380-M422 HydrophobicContact CD1-SD 4.39Å; F380-M422 HydrophobicContact CE1-CG 3.59Å; F380-M422 HydrophobicContact CE1-SD 3.96Å; M422-R433 CarbonylContact O-C 3.52Å; M422-R433 WeakPolarHBondContact O-CA 3.3Å; M422-Y434 PolarHBondContact N-O 2.87Å; M422-Y434 PolarHBondContact O-N 3.39Å; M422-T436 HydrophobicContact CE-CG2 3.75Å; M422-T436 HydrophobicContact SD-CG2 4.43Å
423T88.6Confident86.8Confident15 Ų1557.1 Ų57.19%0.09231%0.309CS..EExtended strand (participates in β ladder)trans-108.9124.9177-52.40000109.4L378 R379 L425 Q430 G432L378-T423 WeakPolarHBondContact CA-O 3.36Å; R379-T423 PolarHBondContact N-O 2.81Å; R379-T423 PolarHBondContact O-N 2.7Å; T423-L425 HydrophobicContact CG2-CD2 4.25Å; T423-L425 HydrophobicContact CG2-CG 4.39Å; T423-Q430 HydrophobicContact CG2-CG 3.7Å; T423-G432 WeakPolarHBondContact CA-O 3.49Å
424E86.8Confident87Confident40 Ų4055.6 Ų55.619%0.18729%0.292CS..EExtended strand (participates in β ladder)trans-95.5124177.3176.8160.9-124.600110.4R372 L378 Q430 L431 G432 Y434R372-E424 IonicContact CZ-OE1 2.64Å; R372-E424 IonicContact NH1-OE1 2.64Å; R372-E424 PolarHBondContact NH1-OE1 3.04Å; R372-E424 IonicContact NH2-OE1 2.95Å; R372-E424 PolarHBondContact NH2-OE1 3.31Å; L378-E424 HydrophobicContact CD2-CB 4.15Å; E424-Q430 WeakPolarHBondContact O-CA 3.47Å; E424-L431 HydrophobicContact CG-CB 4.16Å; E424-L431 HydrophobicContact CG-CD1 4.37Å; E424-L431 PolarHBondContact O-N 2.58Å; E424-G432 PolarHBondContact N-O 3.35Å; E424-G432 PolarHBondContact O-N 3.13Å; E424-Y434 HydrophobicContact CB-CE2 3.85Å; E424-Y434 WeakPolarHBondContact OE2-CE2 3.47Å; E424-Y434 PolarHBondContact OE2-OH 2.83Å
425L85.3Confident87.2Confident39 Ų3955.2 Ų55.220%0.20429%0.286CS..EExtended strand (participates in β ladder)trans-122.1126.4-176.1-60.7163000109.2D376 T377 T423 V429 Q430D376-L425 VanDerWaalsContact CA-O 3.32Å; D376-L425 WeakPolarHBondContact CA-O 3.38Å; T377-L425 PolarHBondContact N-O 2.74Å; T377-L425 PolarHBondContact O-N 3.24Å; T423-L425 HydrophobicContact CG2-CD2 4.25Å; T423-L425 HydrophobicContact CG2-CG 4.39Å; L425-V429 CarbonylContact C-O 3.56Å; L425-V429 VanDerWaalsContact CA-O 3.31Å; L425-V429 WeakPolarHBondContact CA-O 3.11Å; L425-Q430 HydrophobicContact CD2-CB 4.15Å
426E86.4Confident87.3Confident82 Ų8251.6 Ų51.638%0.38326%0.263SS..EExtended strand (participates in β ladder)trans-111.2118.8168.2175.5179.9-164.900108.3G428 V429 L431E426-G428 PolarHBondContact O-N 2.83Å; E426-V429 PolarHBondContact N-O 2.03Å; E426-V429 PolarHBondContact O-N 3.29Å; E426-L431 HydrophobicContact CB-CD1 3.48Å; E426-L431 VanDerWaalsContact CB-CD1 3.48Å; E426-L431 HydrophobicContact CB-CD2 4.15Å; E426-L431 HydrophobicContact CB-CG 3.73Å; E426-L431 HydrophobicContact CG-CD1 4.45Å
427K84.7Confident87.4Confident173 Ų17352.5 Ų52.575%0.75227%0.267SS*.THydrogen-bonded Turntrans49.232.6-178.8-59.3177.1-177170.30113.8
428G80.9Confident87.5Confident65 Ų6548.7 Ų48.767%0.6725%0.249SC*.THydrogen-bonded Turntrans87.7-3.6-17900000115.7E426E426-G428 PolarHBondContact O-N 2.83Å
429V85.9Confident87.6Confident97 Ų9749 Ų4959%0.58825%0.251SS*.EExtended strand (participates in β ladder)trans-95.4132.4175.5-177.80000109.8L425 E426 L431L425-V429 CarbonylContact C-O 3.56Å; L425-V429 VanDerWaalsContact CA-O 3.31Å; L425-V429 WeakPolarHBondContact CA-O 3.11Å; E426-V429 PolarHBondContact N-O 2.03Å; E426-V429 PolarHBondContact O-N 3.29Å; V429-L431 PolarHBondContact O-N 2.03Å
430Q86.6Confident87.4Confident97 Ų9746.1 Ų46.145%0.45324%0.237SC..EExtended strand (participates in β ladder)trans-71.8114.7176.5-178179.8-57.500110.7T423 E424 L425T423-Q430 HydrophobicContact CG2-CG 3.7Å; E424-Q430 WeakPolarHBondContact O-CA 3.47Å; L425-Q430 HydrophobicContact CD2-CB 4.15Å
431L85.1Confident87.4Confident89 Ų8946.6 Ų46.647%0.46624%0.239SC..EExtended strand (participates in β ladder)trans-86.9-35.2172.2-63-175.8000111.9E424 E426 V429E424-L431 HydrophobicContact CG-CB 4.16Å; E424-L431 HydrophobicContact CG-CD1 4.37Å; E424-L431 PolarHBondContact O-N 2.58Å; E426-L431 HydrophobicContact CB-CD1 3.48Å; E426-L431 VanDerWaalsContact CB-CD1 3.48Å; E426-L431 HydrophobicContact CB-CD2 4.15Å; E426-L431 HydrophobicContact CB-CG 3.73Å; E426-L431 HydrophobicContact CG-CD1 4.45Å; V429-L431 PolarHBondContact O-N 2.03Å
432G86.3Confident87.2Confident1 Ų146 Ų461%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-160.3154.7-174.200000114.2N346 T423 E424N346-G432 WeakPolarHBondContact ND2-CA 3.24Å; T423-G432 WeakPolarHBondContact CA-O 3.49Å; E424-G432 PolarHBondContact N-O 3.35Å; E424-G432 PolarHBondContact O-N 3.13Å
433R89.4Confident86.9Confident73 Ų7345.7 Ų45.728%0.27524%0.237SC..EExtended strand (participates in β ladder)trans-127.3127.1174.8-176.7-178.5-178.1-174.45.8107.4Q343 P345 N346 E421 M422Q343-R433 WeakPolarHBondContact O-CD 3.22Å; Q343-R433 PolarHBondContact O-NH1 3.35Å; P345-R433 CarbonylContact C-O 3.57Å; P345-R433 WeakPolarHBondContact CA-O 3.39Å; N346-R433 WeakPolarHBondContact CB-O 3.26Å; N346-R433 PolarHBondContact N-O 2.82Å; E421-R433 HydrophobicContact CG-CG 4.45Å; E421-R433 IonicContact OE1-CZ 3.49Å; E421-R433 IonicContact OE1-NE 3.06Å; E421-R433 PolarHBondContact OE1-NE 2.81Å; E421-R433 IonicContact OE1-NH2 3.44Å; E421-R433 PolarHBondContact OE1-NH2 3.44Å; M422-R433 CarbonylContact O-C 3.52Å; M422-R433 WeakPolarHBondContact O-CA 3.3Å
434Y90.1Very high86.4Confident60 Ų6049.4 Ų49.424%0.23525%0.253CS..EExtended strand (participates in β ladder)trans-129.1140-176.1-48.7-86.3000108.2N346 S347 E421 M422 E424N346-Y434 HydrophobicContact CB-CD1 4.16Å; N346-Y434 HydrophobicContact CB-CE1 3.97Å; S347-Y434 WeakPolarHBondContact OG-CD1 3.33Å; E421-Y434 CarbonylContact C-O 3.42Å; E421-Y434 WeakPolarHBondContact CA-O 3.36Å; M422-Y434 PolarHBondContact N-O 2.87Å; M422-Y434 PolarHBondContact O-N 3.39Å; E424-Y434 HydrophobicContact CB-CE2 3.85Å; E424-Y434 WeakPolarHBondContact OE2-CE2 3.47Å; E424-Y434 PolarHBondContact OE2-OH 2.83Å
435I90.9Very high85.6Confident21 Ų2150.6 Ų50.611%0.10826%0.256CS..EExtended strand (participates in β ladder)trans-116.6133.1174.7-62.4-178.1000108.3P345 S347 I348 S349 L383 V420P345-I435 HydrophobicContact CB-CD1 4.1Å; P345-I435 HydrophobicContact CB-CG1 3.99Å; P345-I435 HydrophobicContact CG-CD1 3.29Å; P345-I435 HydrophobicContact CG-CG1 3.72Å; S347-I435 PolarHBondContact O-N 2.89Å; I348-I435 CarbonylContact C-O 3.59Å; I348-I435 VanDerWaalsContact CA-O 3.27Å; I348-I435 WeakPolarHBondContact CA-O 3.12Å; I348-I435 HydrophobicContact CG1-CB 4.29Å; S349-I435 PolarHBondContact N-O 3.22Å; L383-I435 HydrophobicContact CD1-CD1 3.63Å; L383-I435 HydrophobicContact CD1-CG1 4.02Å; L383-I435 HydrophobicContact CD1-CG2 4.2Å; V420-I435 WeakPolarHBondContact O-CA 2.9Å
436T89Confident84.5Confident5 Ų554.5 Ų54.53%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-115.4126.7168.3-176.30000108.6S349 H351 E419 V420 M422S349-T436 CarbonylContact O-C 3.56Å; S349-T436 WeakPolarHBondContact O-CA 3.31Å; S349-T436 PolarHBondContact OG-OG1 2.95Å; H351-T436 PolarHBondContact CD2-OG1 3.2Å; H351-T436 PolarHBondContact NE2-OG1 2.65Å; E419-T436 CarbonylContact C-O 3.57Å; E419-T436 WeakPolarHBondContact CA-O 3.23Å; V420-T436 HydrophobicContact CB-CG2 3.73Å; V420-T436 HydrophobicContact CG2-CG2 4.49Å; V420-T436 PolarHBondContact N-O 3.05Å; V420-T436 PolarHBondContact O-N 3.28Å; M422-T436 HydrophobicContact CE-CG2 3.75Å; M422-T436 HydrophobicContact SD-CG2 4.43Å
437K89.1Confident83.1Confident40 Ų4055.5 Ų55.517%0.17428%0.277CS..EExtended strand (participates in β ladder)trans-103.2123.6173-176171.3179.8177.50108.1S349 H350 H351 E417 A418 E419S349-K437 PolarHBondContact O-N 3.27Å; H350-K437 CarbonylContact C-O 3.48Å; H350-K437 WeakPolarHBondContact CA-O 3.06Å; H351-K437 PolarHBondContact N-O 2.74Å; E417-K437 VanDerWaalsContact OE1-CE 3.25Å; E417-K437 WeakPolarHBondContact OE1-CE 3.21Å; E417-K437 IonicContact OE1-NZ 2.78Å; E417-K437 PolarHBondContact OE1-NZ 3.36Å; E417-K437 WeakPolarHBondContact OE2-CE 3.36Å; E417-K437 IonicContact OE2-NZ 2.81Å; E417-K437 PolarHBondContact OE2-NZ 3.19Å; A418-K437 CarbonylContact O-C 3.54Å; A418-K437 WeakPolarHBondContact O-CA 3.43Å; E419-K437 HydrophobicContact CG-CB 4.27Å; E419-K437 HydrophobicContact CG-CD 4.34Å; E419-K437 HydrophobicContact CG-CG 4.02Å
438I88.3Confident83Confident10 Ų1049.7 Ų49.75%0.05125%0.253CS..EExtended strand (participates in β ladder)trans-115.4115.3-178.9-57168.8000107.3H351 F366 L404 E417 A418 M440H351-I438 HydrophobicContact CB-CG1 4.26Å; H351-I438 CarbonylContact O-C 3.49Å; H351-I438 WeakPolarHBondContact O-CA 3.36Å; F366-I438 HydrophobicContact CD1-CD1 3.49Å; F366-I438 VanDerWaalsContact CD1-CD1 3.49Å; F366-I438 HydrophobicContact CE1-CD1 3.74Å; F366-I438 HydrophobicContact CG-CD1 4.47Å; L404-I438 HydrophobicContact CD2-CD1 4.01Å; E417-I438 CarbonylContact C-O 3.58Å; E417-I438 WeakPolarHBondContact CA-O 3.07Å; A418-I438 PolarHBondContact N-O 3.29Å; A418-I438 PolarHBondContact O-N 3.36Å; I438-M440 HydrophobicContact CG2-CE 4.14Å; I438-M440 HydrophobicContact CG2-CG 4.16Å; I438-M440 HydrophobicContact CG2-SD 4.37Å
439T88.8Confident83.1Confident8 Ų848.8 Ų48.85%0.04923%0.231CC..EExtended strand (participates in β ladder)trans-101.4125173.9-59.70000108.6H351 Y352 L353 T415 L416 E417 F441H351-T439 PolarHBondContact O-N 2.89Å; Y352-T439 CarbonylContact C-O 3.46Å; Y352-T439 VanDerWaalsContact CA-O 3.3Å; Y352-T439 WeakPolarHBondContact CA-O 3.46Å; Y352-T439 HydrophobicContact CD1-CG2 4.13Å; Y352-T439 HydrophobicContact CE1-CG2 4.36Å; L353-T439 PolarHBondContact N-O 3.17Å; T415-T439 HydrophobicContact CG2-CG2 3.89Å; L416-T439 CarbonylContact O-C 3.43Å; L416-T439 WeakPolarHBondContact O-CA 3.18Å; E417-T439 HydrophobicContact CG-CG2 4.45Å; T439-F441 HydrophobicContact CG2-CE1 3.83Å; T439-F441 HydrophobicContact CG2-CE2 4.37Å; T439-F441 HydrophobicContact CG2-CZ 3.76Å
440M87.2Confident83Confident7 Ų746.2 Ų46.23%0.03421%0.211CC..EExtended strand (participates in β ladder)trans-113.2124.7-178.8-71.8153.9-75.200109.7L353 M365 F392 L404 T415 L416 A418 I438L353-M440 HydrophobicContact CB-CG 4.15Å; L353-M440 HydrophobicContact CD2-CG 4.4Å; L353-M440 CarbonylContact O-C 3.57Å; L353-M440 VanDerWaalsContact O-CA 3.27Å; L353-M440 WeakPolarHBondContact O-CA 3.31Å; M365-M440 HydrophobicContact CE-SD 4.45Å; M365-M440 HydrophobicContact SD-SD 4.01Å; F392-M440 HydrophobicContact CD1-CE 4.49Å; F392-M440 HydrophobicContact CD2-CE 4.46Å; F392-M440 HydrophobicContact CE1-CE 3.64Å; F392-M440 HydrophobicContact CE1-SD 3.57Å; F392-M440 VanDerWaalsContact CE1-SD 3.57Å; F392-M440 HydrophobicContact CE2-CE 3.61Å; F392-M440 HydrophobicContact CZ-CE 3.13Å; F392-M440 HydrophobicContact CZ-SD 3.51Å; F392-M440 VanDerWaalsContact CZ-SD 3.51Å; L404-M440 HydrophobicContact CD2-CE 4.43Å; T415-M440 WeakPolarHBondContact CA-O 3.49Å; L416-M440 HydrophobicContact CB-CB 4.4Å; L416-M440 HydrophobicContact CB-CE 4.29Å; L416-M440 PolarHBondContact N-O 2.84Å; L416-M440 PolarHBondContact O-N 3.47Å; A418-M440 HydrophobicContact CB-CE 3.92Å; I438-M440 HydrophobicContact CG2-CE 4.14Å; I438-M440 HydrophobicContact CG2-CG 4.16Å; I438-M440 HydrophobicContact CG2-SD 4.37Å
441F87.9Confident82.8Confident10 Ų1043.2 Ų43.24%0.04420%0.197CC..EExtended strand (participates in β ladder)trans-98.8110.6173.7-56-64.6000108.7I300 T302 Q307 V309 Y352 L353 S354 V355 T415 T439I300-F441 HydrophobicContact CG2-CD2 4.43Å; I300-F441 HydrophobicContact CG2-CE2 4.16Å; T302-F441 HydrophobicContact CG2-CB 3.82Å; T302-F441 HydrophobicContact CG2-CD2 3.66Å; T302-F441 HydrophobicContact CG2-CE2 4.42Å; T302-F441 HydrophobicContact CG2-CG 3.83Å; Q307-F441 HydrophobicContact CB-CE1 4.41Å; Q307-F441 HydrophobicContact CB-CE2 4.22Å; Q307-F441 HydrophobicContact CB-CZ 3.97Å; Q307-F441 HydrophobicContact CG-CD1 4.17Å; Q307-F441 HydrophobicContact CG-CE1 3.9Å; Q307-F441 HydrophobicContact CG-CE2 4.3Å; Q307-F441 HydrophobicContact CG-CZ 3.95Å; V309-F441 HydrophobicContact CG1-CZ 4.23Å; Y352-F441 AromaticContact CD1-CE2 3.96Å; Y352-F441 HydrophobicContact CD1-CE2 3.96Å; Y352-F441 HydrophobicContact CD1-CZ 4.09Å; L353-F441 PolarHBondContact O-N 2.77Å; S354-F441 WeakPolarHBondContact CA-O 3.4Å; V355-F441 PolarHBondContact N-O 2.93Å; T415-F441 HydrophobicContact CG2-CD1 3.92Å; T415-F441 HydrophobicContact CG2-CE1 3.85Å; T439-F441 HydrophobicContact CG2-CE1 3.83Å; T439-F441 HydrophobicContact CG2-CE2 4.37Å; T439-F441 HydrophobicContact CG2-CZ 3.76Å
442I84.7Confident82.6Confident15 Ų1540.3 Ų40.38%0.07718%0.18CC..EExtended strand (participates in β ladder)trans-97.3114.7-178.5-50.8-175.7000107.9V355 V410 P413 A414 L416V355-I442 HydrophobicContact CG2-CB 4.25Å; V355-I442 HydrophobicContact CG2-CD1 4.48Å; V355-I442 HydrophobicContact CG2-CG1 3.65Å; V355-I442 HydrophobicContact CG2-CG2 4.41Å; V355-I442 CarbonylContact O-C 3.41Å; V355-I442 VanDerWaalsContact O-CA 3.32Å; V355-I442 WeakPolarHBondContact O-CA 3.03Å; V410-I442 HydrophobicContact CB-CD1 3.68Å; V410-I442 HydrophobicContact CG1-CD1 3.4Å; V410-I442 HydrophobicContact CG2-CD1 4.44Å; P413-I442 VanDerWaalsContact CA-O 3.29Å; P413-I442 WeakPolarHBondContact CA-O 3.46Å; A414-I442 HydrophobicContact CB-CB 4.18Å; A414-I442 HydrophobicContact CB-CD1 4.28Å; A414-I442 PolarHBondContact N-O 3.34Å; A414-I442 WeakPolarHBondContact O-CA 3.35Å; A414-I442 WeakPolarHBondContact O-CB 3.33Å; A414-I442 PolarHBondContact O-N 2.96Å; L416-I442 HydrophobicContact CD1-CD1 3.47Å; L416-I442 VanDerWaalsContact CD1-CD1 3.47Å; L416-I442 HydrophobicContact CG-CD1 3.84Å
443S83.4Confident82.4Confident12 Ų1242.9 Ų42.98%0.08419%0.192CC..EExtended strand (participates in β ladder)trans-80.6147.7175.2-170.10000111.4Y303 V355 S357 Y445Y303-S443 PolarHBondContact O-OG 3.2Å; V355-S443 PolarHBondContact O-N 3.23Å; S357-S443 WeakPolarHBondContact CB-O 3.4Å; S357-S443 PolarHBondContact N-O 2.87Å; S357-S443 PolarHBondContact OG-O 3.39Å; S443-Y445 VanDerWaalsContact C-N 3.3Å; S443-Y445 PolarHBondContact OG-N 3.31Å
444Q77Confident81.9Confident94 Ų9440.8 Ų40.844%0.43919%0.186SC..SBendtrans-77.9-18.3176.267.1-171.1-7.800113.3P413P413-Q444 HydrophobicContact CB-CB 4.13Å; P413-Q444 HydrophobicContact CG-CB 4.21Å
445Y70.6Confident81.2Confident64 Ų6439.3 Ų39.325%0.25118%0.182SC..SBendtrans-88.6122.6-177.8-56.2-66.9000108.9H254 P268 Y271 V356 S443 F447H254-Y445 AromaticContact CE1-CE1 3.98Å; P268-Y445 HydrophobicContact CB-CE1 4Å; P268-Y445 HydrophobicContact CB-CE2 4.37Å; P268-Y445 HydrophobicContact CG-CD1 4.11Å; P268-Y445 HydrophobicContact CG-CE1 3.85Å; Y271-Y445 HydrophobicContact CE2-CD2 4.11Å; Y271-Y445 HydrophobicContact CE2-CE2 4.45Å; V356-Y445 WeakPolarHBondContact CG1-O 3.13Å; S443-Y445 VanDerWaalsContact C-N 3.3Å; S443-Y445 PolarHBondContact OG-N 3.31Å; Y445-F447 VanDerWaalsContact CB-CZ 3.46Å; Y445-F447 HydrophobicContact CG-CZ 4.31Å
446E62.8Low80.4Confident122 Ų12240.8 Ų40.857%0.5719%0.188SC*.  trans-81.1120.6169-162.9174.7-178.200108.1V356 N358V356-E446 HydrophobicContact CG1-CB 4.4Å; V356-E446 HydrophobicContact CG1-CG 4.38Å; N358-E446 HydrophobicContact CB-CG 3.98Å; N358-E446 WeakPolarHBondContact CB-OE1 3.27Å; N358-E446 VanDerWaalsContact ND2-CD 3.3Å; N358-E446 PolarHBondContact ND2-OE1 3.25Å; N358-E446 PolarHBondContact ND2-OE2 3.47Å
447F56.4Low79.6Confident103 Ų10344.1 Ų44.145%0.45220%0.202SC..  trans-97.40176.9-71.2-72.1000111.2L253 Y271 Y303 V356 Y445L253-F447 HydrophobicContact CD2-CD1 4.36Å; Y271-F447 AromaticContact CD1-CE1 3.68Å; Y271-F447 HydrophobicContact CD1-CE1 3.68Å; Y271-F447 AromaticContact CD1-CZ 3.82Å; Y271-F447 HydrophobicContact CD1-CZ 3.82Å; Y271-F447 HydrophobicContact CE1-CD1 4.23Å; Y271-F447 AromaticContact CE1-CE1 3.23Å; Y271-F447 HydrophobicContact CE1-CE1 3.23Å; Y271-F447 AromaticContact CE1-CE2 3.68Å; Y271-F447 HydrophobicContact CE1-CE2 3.68Å; Y271-F447 AromaticContact CE1-CZ 2.95Å; Y271-F447 HydrophobicContact CE1-CZ 2.95Å; Y271-F447 AromaticContact CE2-CZ 3.87Å; Y271-F447 HydrophobicContact CE2-CZ 3.87Å; Y271-F447 AromaticContact CZ-CE1 3.77Å; Y271-F447 AromaticContact CZ-CE2 3.6Å; Y271-F447 AromaticContact CZ-CZ 3Å; Y271-F447 WeakPolarHBondContact OH-CE2 3.27Å; Y271-F447 WeakPolarHBondContact OH-CZ 3.27Å; Y303-F447 AromaticContact CD1-CD2 3.49Å; Y303-F447 HydrophobicContact CD1-CD2 3.49Å; Y303-F447 VanDerWaalsContact CD1-CD2 3.49Å; Y303-F447 AromaticContact CD1-CE2 3.67Å; Y303-F447 HydrophobicContact CD1-CE2 3.67Å; Y303-F447 HydrophobicContact CD1-CG 4.4Å; Y303-F447 AromaticContact CE1-CD2 3.96Å; Y303-F447 HydrophobicContact CE1-CD2 3.96Å; Y303-F447 HydrophobicContact CG-CD2 4.18Å; Y303-F447 HydrophobicContact CG-CE2 4.14Å; V356-F447 HydrophobicContact CG2-CD2 4.44Å; Y445-F447 VanDerWaalsContact CB-CZ 3.46Å; Y445-F447 HydrophobicContact CG-CZ 4.31Å

Retrieved 447 of 447 residues in 2082.7 ms (Link to these results)