A0A096NR35_PAPAN Loading...

TAFA chemokine like family member 1

AlphaFold DB (Q7Z5A9), UniProt , Accession A0A096NR35, Species PAPAN (Papio anubis, Olive baboon), Gene TAFA1, Length 133 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
1M60.6Low78.4Confident216 Ų216110.9 Ų110.9100%1.06461%0.613SS**  0-46.30-73.7-176-89.400113M3 V4 S5M1-M3 PolarHBondContact O-N 3.48Å; M1-V4 PolarHBondContact O-N 3.01Å; M1-S5 PolarHBondContact O-N 3.34Å
2A69.8Low79.4Confident83 Ų83114.9 Ų114.969%0.68661%0.614SS**Hα-helixtrans-61.9-40.6-178.900000115.3S5 A6A2-S5 WeakPolarHBondContact O-CB 3.42Å; A2-S5 PolarHBondContact O-N 3.46Å; A2-A6 PolarHBondContact O-N 3.31Å
3M69.3Low80.3Confident159 Ų159115.2 Ų115.278%0.78361%0.614SS**Hα-helixtrans-66.5-38.3179.9-76.2178.8157.100113.5M1 S5 A6 M7M1-M3 PolarHBondContact O-N 3.48Å; M3-S5 VanDerWaalsContact C-N 3.31Å; M3-S5 PolarHBondContact O-N 2.93Å; M3-A6 PolarHBondContact O-N 3.29Å; M3-M7 PolarHBondContact O-N 2.97Å
4V75.4Confident81.1Confident107 Ų107119.9 Ų119.965%0.64862%0.619SS**Hα-helixtrans-65.4-39.3176.6-179.30000110.5M1 S8M1-V4 PolarHBondContact O-N 3.01Å; V4-S8 WeakPolarHBondContact O-CB 3.41Å; V4-S8 PolarHBondContact O-N 3.5Å
5S77.4Confident81.8Confident59 Ų59119.3 Ų119.341%0.41362%0.616SS.*Hα-helixtrans-59.5-55.6172.7-168.70000109.7M1 A2 M3 M7 S8 W9M1-S5 PolarHBondContact O-N 3.34Å; A2-S5 WeakPolarHBondContact O-CB 3.42Å; A2-S5 PolarHBondContact O-N 3.46Å; M3-S5 VanDerWaalsContact C-N 3.31Å; M3-S5 PolarHBondContact O-N 2.93Å; S5-M7 PolarHBondContact O-N 2.96Å; S5-S8 WeakPolarHBondContact O-CA 3.39Å; S5-S8 VanDerWaalsContact O-CB 3.28Å; S5-S8 WeakPolarHBondContact O-CB 3.28Å; S5-S8 PolarHBondContact O-N 3.3Å; S5-W9 PolarHBondContact O-N 2.98Å; S5-W9 PolarHBondContact OG-NE1 3.04Å
6A79.5Confident82.4Confident55 Ų55115.7 Ų115.746%0.45560%0.604SS.*Hα-helixtrans-54.8-45.4-179.400000113.6A2 M3 S8 W9 V10A2-A6 PolarHBondContact O-N 3.31Å; M3-A6 PolarHBondContact O-N 3.29Å; A6-S8 VanDerWaalsContact C-N 3.31Å; A6-S8 PolarHBondContact O-N 3.44Å; A6-W9 PolarHBondContact O-N 3.33Å; A6-V10 WeakPolarHBondContact O-CG2 3.35Å; A6-V10 PolarHBondContact O-N 3.37Å
7M79.4Confident82.9Confident128 Ų128111.6 Ų111.663%0.63159%0.592SS**Hα-helixtrans-62.2-38.4175.2-83.2155.36000112.2M3 S5 V10 L11M3-M7 PolarHBondContact O-N 2.97Å; S5-M7 PolarHBondContact O-N 2.96Å; M7-V10 PolarHBondContact O-N 3Å; M7-L11 VanDerWaalsContact O-CG 3.28Å; M7-L11 WeakPolarHBondContact O-CG 3.42Å; M7-L11 PolarHBondContact O-N 3.41Å
8S85.5Confident83.2Confident50 Ų50109.2 Ų109.235%0.3558%0.584SS.*Hα-helixtrans-62.8-46.3174.8-173.20000111.6V4 S5 A6 V10 L11 Y12V4-S8 WeakPolarHBondContact O-CB 3.41Å; V4-S8 PolarHBondContact O-N 3.5Å; S5-S8 WeakPolarHBondContact O-CA 3.39Å; S5-S8 VanDerWaalsContact O-CB 3.28Å; S5-S8 WeakPolarHBondContact O-CB 3.28Å; S5-S8 PolarHBondContact O-N 3.3Å; A6-S8 VanDerWaalsContact C-N 3.31Å; A6-S8 PolarHBondContact O-N 3.44Å; S8-V10 PolarHBondContact O-N 3.49Å; S8-L11 PolarHBondContact O-N 3.45Å; S8-Y12 WeakPolarHBondContact O-CD2 3.31Å; S8-Y12 PolarHBondContact O-N 3.06Å; S8-Y12 VanDerWaalsContact OG-CE2 3.31Å; S8-Y12 WeakPolarHBondContact OG-CE2 3.32Å
9W86.9Confident83.5Confident175 Ų175105.9 Ų105.966%0.66357%0.574SS**Hα-helixtrans-59.6-43.3176.9-64100.4000112.4S5 A6 Y12 L13S5-W9 PolarHBondContact O-N 2.98Å; S5-W9 PolarHBondContact OG-NE1 3.04Å; A6-W9 PolarHBondContact O-N 3.33Å; W9-Y12 PolarHBondContact O-N 3.26Å; W9-L13 WeakPolarHBondContact O-CG 3.45Å; W9-L13 PolarHBondContact O-N 3.04Å
10V89.4Confident83.7Confident77 Ų77105.9 Ų105.947%0.46757%0.571SS.*Hα-helixtrans-63.4-43.3178.2173.90000111.2A6 M7 S8 L13 W14A6-V10 WeakPolarHBondContact O-CG2 3.35Å; A6-V10 PolarHBondContact O-N 3.37Å; M7-V10 PolarHBondContact O-N 3Å; S8-V10 PolarHBondContact O-N 3.49Å; V10-L13 PolarHBondContact O-N 3.33Å; V10-W14 HydrophobicContact CG1-CE3 3.88Å; V10-W14 HydrophobicContact CG1-CZ3 4.08Å; V10-W14 PolarHBondContact O-N 2.94Å
11L89.5Confident83.7Confident111 Ų111107 Ų10758%0.58158%0.576SS**Hα-helixtrans-63.3-42.3176.6-71170.6000111.7M7 S8 L13 W14 I15M7-L11 VanDerWaalsContact O-CG 3.28Å; M7-L11 WeakPolarHBondContact O-CG 3.42Å; M7-L11 PolarHBondContact O-N 3.41Å; S8-L11 PolarHBondContact O-N 3.45Å; L11-L13 PolarHBondContact O-N 3.05Å; L11-W14 PolarHBondContact O-N 3.45Å; L11-I15 WeakPolarHBondContact O-CB 3.48Å; L11-I15 WeakPolarHBondContact O-CD1 3.28Å; L11-I15 WeakPolarHBondContact O-CG1 3.12Å; L11-I15 PolarHBondContact O-N 3.01Å
12Y89.9Confident84.7Confident159 Ų159102.7 Ų102.762%0.62456%0.557SS**Hα-helixtrans-61.8-42.5176.2-85.1-67000112.7S8 W9 W14 I15 S16S8-Y12 WeakPolarHBondContact O-CD2 3.31Å; S8-Y12 PolarHBondContact O-N 3.06Å; S8-Y12 VanDerWaalsContact OG-CE2 3.31Å; S8-Y12 WeakPolarHBondContact OG-CE2 3.32Å; W9-Y12 PolarHBondContact O-N 3.26Å; Y12-W14 VanDerWaalsContact C-N 3.34Å; Y12-I15 PolarHBondContact O-N 3.46Å; Y12-S16 WeakPolarHBondContact O-CB 3.46Å; Y12-S16 PolarHBondContact O-N 3.09Å; Y12-S16 PolarHBondContact O-OG 3.44Å
13L91.3Very high85.2Confident118 Ų118102.5 Ų102.562%0.61855%0.549SS*.Hα-helixtrans-64.3-39.1176.7-70.9172.3000111.9W9 V10 L11 S16 A17W9-L13 WeakPolarHBondContact O-CG 3.45Å; W9-L13 PolarHBondContact O-N 3.04Å; V10-L13 PolarHBondContact O-N 3.33Å; L11-L13 PolarHBondContact O-N 3.05Å; L13-S16 PolarHBondContact O-OG 2.95Å; L13-S16 VanDerWaalsContact O-OG 3.09Å; L13-A17 WeakPolarHBondContact O-CB 3.22Å; L13-A17 PolarHBondContact O-N 3.3Å
14W91.1Very high85.5Confident181 Ų18199.8 Ų99.869%0.68653%0.534SS*.Hα-helixtrans-67.8-43.3177.4-130.5-64.6000112.2V10 L11 Y12 A17 C18V10-W14 HydrophobicContact CG1-CE3 3.88Å; V10-W14 HydrophobicContact CG1-CZ3 4.08Å; V10-W14 PolarHBondContact O-N 2.94Å; L11-W14 PolarHBondContact O-N 3.45Å; Y12-W14 VanDerWaalsContact C-N 3.34Å; W14-A17 PolarHBondContact O-N 2.94Å; W14-C18 WeakPolarHBondContact O-CB 3.44Å; W14-C18 PolarHBondContact O-N 3.25Å
15I91.2Very high85.2Confident111 Ų11196.5 Ų96.557%0.56952%0.522SS*.Hα-helixtrans-64.5-42.7178.2-67.9164.8000110.3L11 Y12 C18 A19L11-I15 WeakPolarHBondContact O-CB 3.48Å; L11-I15 WeakPolarHBondContact O-CD1 3.28Å; L11-I15 WeakPolarHBondContact O-CG1 3.12Å; L11-I15 PolarHBondContact O-N 3.01Å; Y12-I15 PolarHBondContact O-N 3.46Å; I15-C18 PolarHBondContact O-N 2.91Å; I15-A19 WeakPolarHBondContact O-CB 3.47Å; I15-A19 PolarHBondContact O-N 3.48Å
16S91.8Very high84.8Confident62 Ų6297.2 Ų97.243%0.43453%0.528SS..Hα-helixtrans-66.8-41.5178.277.30000112Y12 L13 A19 M20Y12-S16 WeakPolarHBondContact O-CB 3.46Å; Y12-S16 PolarHBondContact O-N 3.09Å; Y12-S16 PolarHBondContact O-OG 3.44Å; L13-S16 PolarHBondContact O-OG 2.95Å; L13-S16 VanDerWaalsContact O-OG 3.09Å; S16-A19 PolarHBondContact O-N 3.34Å; S16-M20 VanDerWaalsContact O-CG 3.31Å; S16-M20 WeakPolarHBondContact O-CG 3.31Å; S16-M20 PolarHBondContact O-N 2.97Å
17A90.9Very high83.8Confident47 Ų47100.4 Ų100.439%0.38854%0.536SS..Hα-helixtrans-62.3-44.8175.800000111.8L13 W14 M20 L21L13-A17 WeakPolarHBondContact O-CB 3.22Å; L13-A17 PolarHBondContact O-N 3.3Å; W14-A17 PolarHBondContact O-N 2.94Å; A17-M20 PolarHBondContact O-N 3.46Å; A17-L21 VanDerWaalsContact O-CD1 3.24Å; A17-L21 WeakPolarHBondContact O-CD1 3.39Å; A17-L21 PolarHBondContact O-N 2.98Å
18C89.1Confident82.8Confident67 Ų67100.8 Ų100.845%0.45354%0.536SS..Hα-helixtrans-60.9-44174.2-80.30000112W14 I15 M20 L21 L22W14-C18 WeakPolarHBondContact O-CB 3.44Å; W14-C18 PolarHBondContact O-N 3.25Å; I15-C18 PolarHBondContact O-N 2.91Å; C18-M20 VanDerWaalsContact C-N 3.34Å; C18-M20 PolarHBondContact O-N 3.32Å; C18-L21 PolarHBondContact O-N 2.97Å; C18-L22 VanDerWaalsContact O-CG 3.31Å; C18-L22 WeakPolarHBondContact O-CG 3.31Å; C18-L22 PolarHBondContact O-N 3.36Å
19A88.7Confident81.5Confident47 Ų47104 Ų10439%0.38855%0.546SS..Hα-helixtrans-60.4-43.717700000111.5I15 S16 L22 C23I15-A19 WeakPolarHBondContact O-CB 3.47Å; I15-A19 PolarHBondContact O-N 3.48Å; S16-A19 PolarHBondContact O-N 3.34Å; A19-L22 PolarHBondContact O-N 3.46Å; A19-C23 WeakPolarHBondContact O-CB 3.28Å; A19-C23 PolarHBondContact O-N 2.98Å; A19-C23 PolarHBondContact O-SG 3.47Å
20M86.3Confident80.1Confident105 Ų10599.1 Ų99.152%0.51754%0.535SS..Hα-helixtrans-64.5-42.5177-68.1-60.3-68.700112.4S16 A17 C18 L22 C23 H24S16-M20 VanDerWaalsContact O-CG 3.31Å; S16-M20 WeakPolarHBondContact O-CG 3.31Å; S16-M20 PolarHBondContact O-N 2.97Å; A17-M20 PolarHBondContact O-N 3.46Å; C18-M20 VanDerWaalsContact C-N 3.34Å; C18-M20 PolarHBondContact O-N 3.32Å; M20-L22 PolarHBondContact O-N 2.94Å; M20-C23 PolarHBondContact O-N 3.28Å; M20-H24 WeakPolarHBondContact O-CB 3.24Å; M20-H24 PolarHBondContact O-CD2 2.87Å; M20-H24 VanDerWaalsContact O-CD2 3.25Å; M20-H24 PolarHBondContact O-N 2.92Å
21L85.4Confident78.5Confident129 Ų129101.6 Ų101.668%0.67554%0.54SS*.Hα-helixtrans-61-43.4175-97.390.5000112A17 C18 H24 G25A17-L21 VanDerWaalsContact O-CD1 3.24Å; A17-L21 WeakPolarHBondContact O-CD1 3.39Å; A17-L21 PolarHBondContact O-N 2.98Å; C18-L21 PolarHBondContact O-N 2.97Å; L21-H24 PolarHBondContact O-N 3.46Å; L21-G25 PolarHBondContact O-N 3.13Å
22L81.7Confident76.7Confident126 Ų126102.8 Ų102.866%0.6654%0.543SS*.Hα-helixtrans-65.9-43.2177.5-69171.9000111.4C18 A19 M20 H24 G25 S26C18-L22 VanDerWaalsContact O-CG 3.31Å; C18-L22 WeakPolarHBondContact O-CG 3.31Å; C18-L22 PolarHBondContact O-N 3.36Å; A19-L22 PolarHBondContact O-N 3.46Å; M20-L22 PolarHBondContact O-N 2.94Å; L22-H24 PolarHBondContact O-N 3.44Å; L22-G25 PolarHBondContact O-N 3.35Å; L22-S26 PolarHBondContact O-N 2.97Å; L22-S26 PolarHBondContact O-OG 3.32Å; L22-S26 VanDerWaalsContact O-OG 3.13Å
23C79.8Confident74.8Confident79 Ų79100.7 Ų100.753%0.53454%0.538SS..Hα-helixtrans-61.1-42175.8-72.80000112.2A19 M20 L27A19-C23 WeakPolarHBondContact O-CB 3.28Å; A19-C23 PolarHBondContact O-N 2.98Å; A19-C23 PolarHBondContact O-SG 3.47Å; M20-C23 PolarHBondContact O-N 3.28Å; C23-L27 WeakPolarHBondContact O-CB 3.4Å; C23-L27 PolarHBondContact O-N 3.29Å
24H74.8Confident72.8Confident102 Ų102101.7 Ų101.747%0.47254%0.54SS..Hα-helixtrans-65.6-44.9176.7-65.6178.2000111.2M20 L21 L22 S26 L27 Q28M20-H24 WeakPolarHBondContact O-CB 3.24Å; M20-H24 PolarHBondContact O-CD2 2.87Å; M20-H24 VanDerWaalsContact O-CD2 3.25Å; M20-H24 PolarHBondContact O-N 2.92Å; L21-H24 PolarHBondContact O-N 3.46Å; L22-H24 PolarHBondContact O-N 3.44Å; H24-S26 PolarHBondContact O-N 2.96Å; H24-L27 PolarHBondContact O-N 3.22Å; H24-Q28 WeakPolarHBondContact O-CB 2.94Å; H24-Q28 VanDerWaalsContact O-CG 3.28Å; H24-Q28 WeakPolarHBondContact O-CG 3.35Å; H24-Q28 PolarHBondContact O-N 3.46Å
25G70.4Confident70.6Confident38 Ų3898.3 Ų98.339%0.39253%0.531SS..Hα-helixtrans-60.5-43.817700000113L21 L22 H29L21-G25 PolarHBondContact O-N 3.13Å; L22-G25 PolarHBondContact O-N 3.35Å; G25-H29 PolarHBondContact O-N 2.68Å; G25-H29 VanDerWaalsContact O-N 3.07Å
26S67.2Low68.5Low75 Ų7599.9 Ų99.952%0.52454%0.54SS..Hα-helixtrans-65.6-41.5175.7-60.70000112.4L22 H24 H29 T30L22-S26 PolarHBondContact O-N 2.97Å; L22-S26 PolarHBondContact O-OG 3.32Å; L22-S26 VanDerWaalsContact O-OG 3.13Å; H24-S26 PolarHBondContact O-N 2.96Å; S26-H29 PolarHBondContact O-N 2.93Å; S26-T30 PolarHBondContact O-N 3.27Å; S26-T30 PolarHBondContact O-OG1 3.37Å
27L59.2Low66.5Low121 Ų121104 Ų10463%0.63455%0.552SS**Hα-helixtrans-63.6-44.8178.1-171.170.5000111.3C23 H24 H29 T30 F31C23-L27 WeakPolarHBondContact O-CB 3.4Å; C23-L27 PolarHBondContact O-N 3.29Å; H24-L27 PolarHBondContact O-N 3.22Å; L27-H29 PolarHBondContact O-N 2.93Å; L27-T30 PolarHBondContact O-N 2.93Å; L27-F31 WeakPolarHBondContact O-CB 3.25Å; L27-F31 PolarHBondContact O-N 3.31Å
28Q59.3Low64.5Low136 Ų136110 Ų11064%0.63657%0.565SS**Hα-helixtrans-61.7-41.6177.3-71.2178.7-68.900112H24 F31 Q32H24-Q28 WeakPolarHBondContact O-CB 2.94Å; H24-Q28 VanDerWaalsContact O-CG 3.28Å; H24-Q28 WeakPolarHBondContact O-CG 3.35Å; H24-Q28 PolarHBondContact O-N 3.46Å; Q28-F31 PolarHBondContact O-N 3.07Å; Q28-Q32 PolarHBondContact O-N 3.38Å
29H58.3Low63.1Low118 Ų118110.2 Ų110.255%0.54657%0.566SS.*Hα-helixtrans-63-44176.8-169.5-93.6000111.9G25 S26 L27 F31 Q33G25-H29 PolarHBondContact O-N 2.68Å; G25-H29 VanDerWaalsContact O-N 3.07Å; S26-H29 PolarHBondContact O-N 2.93Å; L27-H29 PolarHBondContact O-N 2.93Å; H29-F31 VanDerWaalsContact C-N 3.34Å; H29-F31 PolarHBondContact O-N 3.45Å; H29-Q33 PolarHBondContact CE1-OE1 2.91Å; H29-Q33 PolarHBondContact ND1-OE1 3.46Å; H29-Q33 WeakPolarHBondContact O-CG 3.42Å; H29-Q33 PolarHBondContact O-N 3.11Å; H29-Q33 VanDerWaalsContact O-N 3.13Å
30T57.7Low62.2Low73 Ų73117.3 Ų117.345%0.44859%0.591SS.*Hα-helixtrans-66-38.4178.9-37.90000111.3S26 L27 Q33 H34S26-T30 PolarHBondContact O-N 3.27Å; S26-T30 PolarHBondContact O-OG1 3.37Å; L27-T30 PolarHBondContact O-N 2.93Å; T30-Q33 PolarHBondContact O-N 3.04Å; T30-H34 PolarHBondContact O-N 3.49Å; T30-H34 VanDerWaalsContact O-N 3.11Å
31F54.8Low62.1Low129 Ų129112.7 Ų112.757%0.56657%0.57SS**Hα-helixtrans-70.6-40.9179.7-155.9-102.2000112.4L27 Q28 H29 Q33 H34 H35L27-F31 WeakPolarHBondContact O-CB 3.25Å; L27-F31 PolarHBondContact O-N 3.31Å; Q28-F31 PolarHBondContact O-N 3.07Å; H29-F31 VanDerWaalsContact C-N 3.34Å; H29-F31 PolarHBondContact O-N 3.45Å; F31-Q33 VanDerWaalsContact C-N 3.34Å; F31-Q33 PolarHBondContact O-N 3.13Å; F31-H34 PolarHBondContact O-N 3.42Å; F31-H35 AromaticContact CD1-CD2 3.4Å; F31-H35 VanDerWaalsContact CD1-CD2 3.4Å; F31-H35 WeakPolarHBondContact CD1-CD2 3.15Å; F31-H35 AromaticContact CD1-NE2 3.97Å; F31-H35 AromaticContact CD2-CD2 3.95Å; F31-H35 AromaticContact CE1-CD2 3.15Å; F31-H35 WeakPolarHBondContact CE1-CD2 3.4Å; F31-H35 AromaticContact CE1-CG 3.97Å; F31-H35 AromaticContact CE1-NE2 3.25Å; F31-H35 WeakPolarHBondContact CE1-NE2 3.47Å; F31-H35 AromaticContact CE2-CD2 3.73Å; F31-H35 AromaticContact CE2-NE2 3.42Å; F31-H35 WeakPolarHBondContact CE2-NE2 3.39Å; F31-H35 AromaticContact CG-CD2 3.82Å; F31-H35 AromaticContact CZ-CD2 3.35Å; F31-H35 WeakPolarHBondContact CZ-CD2 3.33Å; F31-H35 AromaticContact CZ-CE1 3.88Å; F31-H35 AromaticContact CZ-NE2 2.94Å; F31-H35 WeakPolarHBondContact CZ-NE2 3.48Å; F31-H35 WeakPolarHBondContact O-CB 3.4Å; F31-H35 PolarHBondContact O-CD2 3.23Å; F31-H35 PolarHBondContact O-N 3.35Å
32Q51.9Low62.3Low136 Ų136107 Ų10764%0.63654%0.542SS*.Hα-helixtrans-61.9-41.7172.9-88.8-148.9-81.900111.9Q28 H34 L36Q28-Q32 PolarHBondContact O-N 3.38Å; Q32-H34 VanDerWaalsContact C-N 3.3Å; Q32-H34 PolarHBondContact O-N 3.47Å; Q32-L36 WeakPolarHBondContact O-CB 3.13Å; Q32-L36 PolarHBondContact O-N 3.45Å
33Q50.7Low62.8Low114 Ų114104 Ų10453%0.53353%0.529SS..Hα-helixtrans-63.1-37.5176.9-71.1-175.2-69.500111.9H29 T30 F31 H37H29-Q33 PolarHBondContact CE1-OE1 2.91Å; H29-Q33 PolarHBondContact ND1-OE1 3.46Å; H29-Q33 WeakPolarHBondContact O-CG 3.42Å; H29-Q33 PolarHBondContact O-N 3.11Å; H29-Q33 VanDerWaalsContact O-N 3.13Å; T30-Q33 PolarHBondContact O-N 3.04Å; F31-Q33 VanDerWaalsContact C-N 3.34Å; F31-Q33 PolarHBondContact O-N 3.13Å; Q33-H37 WeakPolarHBondContact O-CB 3.18Å
34H48.1Very low63.5Low139 Ų139101.6 Ų101.664%0.64451%0.513SS*.Hα-helixtrans-76.6-37.7179-97.7-90.2000114.3T30 F31 Q32 R38T30-H34 PolarHBondContact O-N 3.49Å; T30-H34 VanDerWaalsContact O-N 3.11Å; F31-H34 PolarHBondContact O-N 3.42Å; Q32-H34 VanDerWaalsContact C-N 3.3Å; Q32-H34 PolarHBondContact O-N 3.47Å; H34-R38 PolarHBondContact O-N 3.3Å
35H45.3Very low64.4Low110 Ų110102.3 Ų102.351%0.50952%0.516SS..Hα-helixtrans-79.7-36.4-179.3-85.4-86.5000113.1F31 H37F31-H35 AromaticContact CD1-CD2 3.4Å; F31-H35 VanDerWaalsContact CD1-CD2 3.4Å; F31-H35 WeakPolarHBondContact CD1-CD2 3.15Å; F31-H35 AromaticContact CD1-NE2 3.97Å; F31-H35 AromaticContact CD2-CD2 3.95Å; F31-H35 AromaticContact CE1-CD2 3.15Å; F31-H35 WeakPolarHBondContact CE1-CD2 3.4Å; F31-H35 AromaticContact CE1-CG 3.97Å; F31-H35 AromaticContact CE1-NE2 3.25Å; F31-H35 WeakPolarHBondContact CE1-NE2 3.47Å; F31-H35 AromaticContact CE2-CD2 3.73Å; F31-H35 AromaticContact CE2-NE2 3.42Å; F31-H35 WeakPolarHBondContact CE2-NE2 3.39Å; F31-H35 AromaticContact CG-CD2 3.82Å; F31-H35 AromaticContact CZ-CD2 3.35Å; F31-H35 WeakPolarHBondContact CZ-CD2 3.33Å; F31-H35 AromaticContact CZ-CE1 3.88Å; F31-H35 AromaticContact CZ-NE2 2.94Å; F31-H35 WeakPolarHBondContact CZ-NE2 3.48Å; F31-H35 WeakPolarHBondContact O-CB 3.4Å; F31-H35 PolarHBondContact O-CD2 3.23Å; F31-H35 PolarHBondContact O-N 3.35Å; H35-H37 PolarHBondContact O-N 3.4Å
36L47.9Very low65.5Low144 Ų144103.3 Ų103.375%0.75452%0.515SS*.Hα-helixtrans-70.8-18.4177-156.5135.3000112Q32Q32-L36 WeakPolarHBondContact O-CB 3.13Å; Q32-L36 PolarHBondContact O-N 3.45Å
37H48.3Very low66.9Low150 Ų150104.2 Ų104.269%0.69451%0.513SS*.THydrogen-bonded Turntrans-108.45-176-145.6-102.4000115Q33 H35 P39Q33-H37 WeakPolarHBondContact O-CB 3.18Å; H35-H37 PolarHBondContact O-N 3.4Å; H37-P39 VanDerWaalsContact C-CD 3.42Å; H37-P39 WeakPolarHBondContact O-CD 3.39Å
38R49.8Very low68.5Low172 Ų17299.8 Ų99.865%0.64949%0.493SS*.SBendtrans-109.884.2168.3-168.8151.468.5101.4-2.8109.8H34 E40H34-R38 PolarHBondContact O-N 3.3Å; R38-E40 PolarHBondContact O-N 2.97Å
39P58.7Low70.1Confident72 Ų7296.2 Ų96.247%0.46849%0.488SS..  trans-50141170.4-20.829000109.7H37 G41 G42H37-P39 VanDerWaalsContact C-CD 3.42Å; H37-P39 WeakPolarHBondContact O-CD 3.39Å; P39-G41 PolarHBondContact O-N 2.75Å; P39-G42 WeakPolarHBondContact CD-O 3.45Å; P39-G42 PolarHBondContact O-N 2.66Å
40E71.3Confident71.7Confident196 Ų19695.9 Ų95.992%0.91649%0.486SS*.THydrogen-bonded Turntrans-54.9-10-173.3-60.6-178.8155.900114.6R38R38-E40 PolarHBondContact O-N 2.97Å
41G82.8Confident73.2Confident7 Ų7100.9 Ų100.97%0.07250%0.496CS..THydrogen-bonded Turntrans-112.5-0.9-179.500000117P39 L70 C84P39-G41 PolarHBondContact O-N 2.75Å; G41-L70 PolarHBondContact O-N 2.04Å; G41-C84 WeakPolarHBondContact O-CB 3.33Å
42G90.6Very high74.8Confident9 Ų997.8 Ų97.89%0.09349%0.49CS..EExtended strand (participates in β ladder)trans127.3-171.8-176.200000113.8P39 S68P39-G42 WeakPolarHBondContact CD-O 3.45Å; P39-G42 PolarHBondContact O-N 2.66Å; G42-S68 WeakPolarHBondContact CA-O 3.08Å
43T92.4Very high76.3Confident65 Ų6596.1 Ų96.140%0.39949%0.493SS..EExtended strand (participates in β ladder)trans-116.2141.4-177.560.10000111.8C67 S68T43-C67 CarbonylContact O-C 3.51Å; T43-C67 VanDerWaalsContact O-CA 3.28Å; T43-C67 WeakPolarHBondContact O-CA 3.3Å; T43-S68 PolarHBondContact N-O 3.37Å; T43-S68 PolarHBondContact O-N 3.45Å
44C94.1Very high77.9Confident27 Ų2794.3 Ų94.318%0.18249%0.486CS..EExtended strand (participates in β ladder)trans-136.5126.9171.1-79.20000109.1K66 C67 P82 S83C44-K66 CarbonylContact C-O 3.58Å; C44-K66 WeakPolarHBondContact CA-O 3.34Å; C44-C67 HydrophobicContact CB-CB 4.19Å; C44-C67 WeakPolarHBondContact CB-SG 3.16Å; C44-C67 WeakPolarHBondContact SG-CB 3.49Å; C44-C67 CovalentContact SG-SG 2.04Å; C44-C67 PolarHBondContact SG-SG 2.79Å; C44-P82 HydrophobicContact CB-CB 4.02Å; C44-P82 HydrophobicContact CB-CG 4.48Å; C44-P82 WeakPolarHBondContact CB-O 3.28Å; C44-S83 PolarHBondContact SG-O 3.19Å; C44-S83 VanDerWaalsContact SG-O 3.41Å
45E93.5Very high79.8Confident117 Ų11797.4 Ų97.455%0.54750%0.498SS..EExtended strand (participates in β ladder)trans-126.1149.8178.785.1-174174.800111.4I47 V65 K66E45-I47 HydrophobicContact CG-CG2 3.54Å; E45-I47 PolarHBondContact O-N 2.94Å; E45-I47 VanDerWaalsContact OE1-CG2 3.28Å; E45-I47 WeakPolarHBondContact OE1-CG2 3.31Å; E45-V65 CarbonylContact O-C 3.49Å; E45-V65 WeakPolarHBondContact O-CA 3.03Å; E45-K66 HydrophobicContact CG-CB 4.4Å; E45-K66 PolarHBondContact N-O 3.41Å; E45-K66 PolarHBondContact O-N 2.78Å
46V94.1Very high81.9Confident60 Ų6097.9 Ų97.936%0.36450%0.504SS..EExtended strand (participates in β ladder)trans-83.3110.8169.5-178.90000107.7A48 A49 Q63 T64 V65 P82V46-A48 WeakPolarHBondContact CG1-O 3.38Å; V46-A49 HydrophobicContact CG1-CB 4.42Å; V46-Q63 HydrophobicContact CG1-CB 4.23Å; V46-Q63 HydrophobicContact CG1-CG 4.44Å; V46-T64 CarbonylContact C-O 3.51Å; V46-V65 HydrophobicContact CG2-CG1 4.15Å; V46-P82 HydrophobicContact CG2-CG 3.94Å
47I95Very high83.7Confident93 Ų93102.2 Ų102.248%0.47751%0.511SS..EExtended strand (participates in β ladder)trans-92.1-23-177.856.6164.6000113.2E45 T64 K66E45-I47 HydrophobicContact CG-CG2 3.54Å; E45-I47 PolarHBondContact O-N 2.94Å; E45-I47 VanDerWaalsContact OE1-CG2 3.28Å; E45-I47 WeakPolarHBondContact OE1-CG2 3.31Å; I47-T64 HydrophobicContact CD1-CG2 3.86Å; I47-T64 HydrophobicContact CG1-CG2 3.9Å; I47-T64 VanDerWaalsContact CG1-O 3.29Å; I47-T64 WeakPolarHBondContact CG1-O 3.43Å; I47-T64 PolarHBondContact N-O 2.98Å; I47-K66 HydrophobicContact CD1-CB 4.23Å; I47-K66 HydrophobicContact CG1-CB 4.42Å; I47-K66 HydrophobicContact CG2-CB 3.56Å; I47-K66 HydrophobicContact CG2-CD 4.39Å
48A93.6Very high85.4Confident28 Ų2899.4 Ų99.423%0.23150%0.5CS..EExtended strand (participates in β ladder)trans-146.6142.8175.500000109.8V46 Q63 T64V46-A48 WeakPolarHBondContact CG1-O 3.38Å; A48-Q63 CarbonylContact O-C 3.56Å; A48-Q63 WeakPolarHBondContact O-CA 3.39Å; A48-T64 PolarHBondContact N-O 2.88Å; A48-T64 PolarHBondContact O-N 3.15Å
49A93Very high87.2Confident62 Ų6297.1 Ų97.151%0.51250%0.496SS..EExtended strand (participates in β ladder)trans-138.7120.3172.300000108V46 S62 Q63V46-A49 HydrophobicContact CG1-CB 4.42Å; A49-S62 WeakPolarHBondContact CA-O 3.43Å; A49-Q63 HydrophobicContact CB-CG 4.22Å
50H92Very high88.7Confident110 Ų11098.5 Ų98.551%0.50950%0.497SS..EExtended strand (participates in β ladder)trans-120.2148.8178.1-59.2-83.8000109.8S62H50-S62 PolarHBondContact N-O 3.1Å; H50-S62 PolarHBondContact O-N 3.3Å
51R90.1Very high89.5Confident178 Ų17897 Ų9767%0.67248%0.483SS*.EExtended strand (participates in β ladder)trans-116.5120.9170.9-70.1175.7172.1151.21.7106.7E59 E60R51-E59 VanDerWaalsContact CD-OE1 3.24Å; R51-E59 WeakPolarHBondContact CD-OE1 3.5Å; R51-E59 IonicContact NE-OE1 3.35Å; R51-E59 PolarHBondContact NE-OE1 2.83Å; R51-E60 WeakPolarHBondContact CA-O 3.04Å
52C86.5Confident89.9Confident65 Ų6599.4 Ų99.444%0.43950%0.498SS..EExtended strand (participates in β ladder)trans-111.5146.1175.4-66.60000108.5E60C52-E60 HydrophobicContact CB-CB 4.32Å; C52-E60 PolarHBondContact N-O 2.99Å; C52-E60 PolarHBondContact O-N 2.97Å
53C85.2Confident89.9Confident101 Ų101103.8 Ų103.868%0.68252%0.516SS*.EExtended strand (participates in β ladder)trans-117.1123.5172.5-63.80000108.3I58C53-I58 WeakPolarHBondContact CA-O 3.38Å
54N83.1Confident90Very high75 Ų75104 Ų10440%0.40152%0.518SS..  trans-76.3164.2171.1-166.1-13.8000110N56 R57 I58N54-N56 PolarHBondContact O-N 3.05Å; N54-R57 WeakPolarHBondContact O-CA 3.14Å; N54-R57 PolarHBondContact O-N 3.25Å; N54-I58 PolarHBondContact N-O 2.98Å; N54-I58 VanDerWaalsContact N-O 3.16Å
55K88Confident89.9Confident205 Ų205106 Ų10689%0.89153%0.529SS*.THydrogen-bonded Turntrans-49.2-28.6173.4-68.6-175.6177.7-179.60113R57K55-R57 PolarHBondContact O-N 3.41Å
56N89.5Confident90Very high119 Ų119106.3 Ų106.364%0.63653%0.528SS*.THydrogen-bonded Turntrans-77.86177.1-61.7-22.4000114.3N54 I58N54-N56 PolarHBondContact O-N 3.05Å; N56-I58 HydrophobicContact CB-CD1 3.87Å; N56-I58 HydrophobicContact CB-CG1 3.93Å; N56-I58 PolarHBondContact O-N 3.47Å
57R85.3Confident90.1Very high235 Ų235105.3 Ų105.389%0.88752%0.524SS*.  trans56.226.3-171.8-54.7-173.7178.5112-2.3113.8N54 K55N54-R57 WeakPolarHBondContact O-CA 3.14Å; N54-R57 PolarHBondContact O-N 3.25Å; K55-R57 PolarHBondContact O-N 3.41Å
58I85.6Confident90.1Very high92 Ų92104.4 Ų104.447%0.47253%0.526SS..  trans-80.5121.4170.9-60170.2000107C53 N54 N56 E60C53-I58 WeakPolarHBondContact CA-O 3.38Å; N54-I58 PolarHBondContact N-O 2.98Å; N54-I58 VanDerWaalsContact N-O 3.16Å; N56-I58 HydrophobicContact CB-CD1 3.87Å; N56-I58 HydrophobicContact CB-CG1 3.93Å; N56-I58 PolarHBondContact O-N 3.47Å; I58-E60 PolarHBondContact O-N 2.91Å
59E87.6Confident90.2Very high123 Ų123105 Ų10558%0.57553%0.527SS*.EExtended strand (participates in β ladder)trans-78.7110.3173.6-171.5-178.4172.900109.2R51R51-E59 VanDerWaalsContact CD-OE1 3.24Å; R51-E59 WeakPolarHBondContact CD-OE1 3.5Å; R51-E59 IonicContact NE-OE1 3.35Å; R51-E59 PolarHBondContact NE-OE1 2.83Å
60E88.6Confident90.3Very high102 Ų102106.3 Ų106.348%0.47753%0.526SS..EExtended strand (participates in β ladder)trans-96.2126.2173.1-69.1177.3-165.100109.1R51 C52 I58R51-E60 WeakPolarHBondContact CA-O 3.04Å; C52-E60 HydrophobicContact CB-CB 4.32Å; C52-E60 PolarHBondContact N-O 2.99Å; C52-E60 PolarHBondContact O-N 2.97Å; I58-E60 PolarHBondContact O-N 2.91Å
61R89.8Confident90.5Very high165 Ų165107.4 Ų107.462%0.62354%0.542SS*.EExtended strand (participates in β ladder)trans-109.4120.6177.8-172.3179.6-176.2-175.6-0109.7
62S90.2Very high90.7Very high56 Ų56101.5 Ų101.539%0.39254%0.537SS..EExtended strand (participates in β ladder)trans-111.7143172.562.80000110.2A49 H50A49-S62 WeakPolarHBondContact CA-O 3.43Å; H50-S62 PolarHBondContact N-O 3.1Å; H50-S62 PolarHBondContact O-N 3.3Å
63Q90.8Very high91.1Very high102 Ų102101.4 Ų101.448%0.47753%0.529SS..EExtended strand (participates in β ladder)trans-133.3132.3174.4-65.2-174.6-59.100108.5V46 A48 A49V46-Q63 HydrophobicContact CG1-CB 4.23Å; V46-Q63 HydrophobicContact CG1-CG 4.44Å; A48-Q63 CarbonylContact O-C 3.56Å; A48-Q63 WeakPolarHBondContact O-CA 3.39Å; A49-Q63 HydrophobicContact CB-CG 4.22Å
64T93.6Very high91.6Very high70 Ų7099.1 Ų99.143%0.42951%0.512SS..EExtended strand (participates in β ladder)trans-103.6128.4172.2-520000107.9V46 I47 A48V46-T64 CarbonylContact C-O 3.51Å; I47-T64 HydrophobicContact CD1-CG2 3.86Å; I47-T64 HydrophobicContact CG1-CG2 3.9Å; I47-T64 VanDerWaalsContact CG1-O 3.29Å; I47-T64 WeakPolarHBondContact CG1-O 3.43Å; I47-T64 PolarHBondContact N-O 2.98Å; A48-T64 PolarHBondContact N-O 2.88Å; A48-T64 PolarHBondContact O-N 3.15Å
65V93.9Very high92.2Very high67 Ų6798.4 Ų98.441%0.40652%0.517SS..EExtended strand (participates in β ladder)trans-113.9145-178.4-60.20000110.6E45 V46 P82E45-V65 CarbonylContact O-C 3.49Å; E45-V65 WeakPolarHBondContact O-CA 3.03Å; V46-V65 HydrophobicContact CG2-CG1 4.15Å; V65-P82 HydrophobicContact CB-CB 4.32Å; V65-P82 HydrophobicContact CG1-CB 3.86Å; V65-P82 HydrophobicContact CG1-CG 4.02Å
66K95.2Very high92.5Very high124 Ų12489.4 Ų89.454%0.53948%0.482SS..EExtended strand (participates in β ladder)trans-116.7125.2170-175178.2179.9-177.50108.3C44 E45 I47C44-K66 CarbonylContact C-O 3.58Å; C44-K66 WeakPolarHBondContact CA-O 3.34Å; E45-K66 HydrophobicContact CG-CB 4.4Å; E45-K66 PolarHBondContact N-O 3.41Å; E45-K66 PolarHBondContact O-N 2.78Å; I47-K66 HydrophobicContact CD1-CB 4.23Å; I47-K66 HydrophobicContact CG1-CB 4.42Å; I47-K66 HydrophobicContact CG2-CB 3.56Å; I47-K66 HydrophobicContact CG2-CD 4.39Å
67C95.2Very high92.7Very high40 Ų4085.5 Ų85.527%0.2746%0.463SS..EExtended strand (participates in β ladder)trans-123.4139.3-178.6-70.20000111.2T43 C44 A75T43-C67 CarbonylContact O-C 3.51Å; T43-C67 VanDerWaalsContact O-CA 3.28Å; T43-C67 WeakPolarHBondContact O-CA 3.3Å; C44-C67 HydrophobicContact CB-CB 4.19Å; C44-C67 WeakPolarHBondContact CB-SG 3.16Å; C44-C67 WeakPolarHBondContact SG-CB 3.49Å; C44-C67 CovalentContact SG-SG 2.04Å; C44-C67 PolarHBondContact SG-SG 2.79Å; C67-A75 HydrophobicContact CB-CB 3.97Å
68S95.6Very high93.1Very high74 Ų7476.6 Ų76.652%0.51743%0.434SS..EExtended strand (participates in β ladder)trans-124.284.5172.4-58.40000107.5G42 T43G42-S68 WeakPolarHBondContact CA-O 3.08Å; T43-S68 PolarHBondContact N-O 3.37Å; T43-S68 PolarHBondContact O-N 3.45Å
69C95.9Very high93.6Very high40 Ų4076.3 Ų76.327%0.2743%0.427SS..EExtended strand (participates in β ladder)trans-91.9147.6-177.6-58.10000111.9K73 C84C69-K73 HydrophobicContact CB-CB 3.98Å; C69-C84 WeakPolarHBondContact CA-SG 3.24Å; C69-C84 HydrophobicContact CB-CB 3.74Å; C69-C84 WeakPolarHBondContact CB-SG 3.45Å; C69-C84 VanDerWaalsContact SG-CA 3.6Å; C69-C84 WeakPolarHBondContact SG-CB 3.49Å; C69-C84 CovalentContact SG-SG 2.04Å; C69-C84 PolarHBondContact SG-SG 3.15Å
70L95.1Very high93.8Very high90 Ų9074.6 Ų74.647%0.47142%0.422SS..PPolyproline II helixtrans-69.2158.8173.8-63.9178.7000111G41 G72 K73G41-L70 PolarHBondContact O-N 2.04Å; L70-G72 PolarHBondContact O-N 3.22Å; L70-K73 WeakPolarHBondContact O-CB 3.37Å; L70-K73 PolarHBondContact O-N 2.82Å
71P95.2Very high94Very high132 Ų13278.7 Ų78.786%0.85743%0.433SS*.THydrogen-bonded Turntrans-51.7136.2175.4-26.935.4000112.5K73P71-K73 VanDerWaalsContact C-N 3.26Å; P71-K73 PolarHBondContact O-N 3.19Å
72G94.9Very high94.2Very high55 Ų5572.7 Ų72.757%0.56742%0.415SS*.THydrogen-bonded Turntrans84-10.2-174.800000114.8L70 A87L70-G72 PolarHBondContact O-N 3.22Å; G72-A87 VanDerWaalsContact O-CB 3.31Å; G72-A87 WeakPolarHBondContact O-CB 3.16Å; G72-A87 PolarHBondContact O-N 3.2Å
73K95.5Very high94.4Very high62 Ų6270.8 Ų70.827%0.2740%0.402SS..EExtended strand (participates in β ladder)trans-106.4153.3173.1-55.4-67-167.3-178.60111.1C69 L70 P71 C84 V85 D86C69-K73 HydrophobicContact CB-CB 3.98Å; L70-K73 WeakPolarHBondContact O-CB 3.37Å; L70-K73 PolarHBondContact O-N 2.82Å; P71-K73 VanDerWaalsContact C-N 3.26Å; P71-K73 PolarHBondContact O-N 3.19Å; K73-C84 HydrophobicContact CB-CB 4.24Å; K73-V85 CarbonylContact C-O 3.46Å; K73-V85 WeakPolarHBondContact CA-O 3.34Å; K73-V85 WeakPolarHBondContact CB-O 3.08Å; K73-D86 WeakPolarHBondContact CD-OD1 3.28Å; K73-D86 WeakPolarHBondContact CE-OD1 3.47Å; K73-D86 IonicContact NZ-OD1 2.91Å; K73-D86 PolarHBondContact NZ-OD1 3.47Å; K73-D86 IonicContact NZ-OD2 3.56Å; K73-D86 PolarHBondContact NZ-OD2 2.92Å
74V95.2Very high94.7Very high53 Ų5366.8 Ų66.832%0.32139%0.385SS..EExtended strand (participates in β ladder)trans-136.2163.4177.7-64.20000110.7G76 C84 V85 A87 V90V74-G76 PolarHBondContact O-N 2.8Å; V74-C84 WeakPolarHBondContact O-CA 3.48Å; V74-V85 HydrophobicContact CG2-CG2 4.17Å; V74-V85 PolarHBondContact N-O 3.47Å; V74-V85 PolarHBondContact O-N 3.35Å; V74-A87 HydrophobicContact CG1-CB 3.98Å; V74-A87 HydrophobicContact CG2-CB 4.47Å; V74-V90 HydrophobicContact CG2-CB 4.17Å; V74-V90 HydrophobicContact CG2-CG2 3.61Å
75A94.6Very high94.8Very high61 Ų6163.8 Ų63.850%0.50437%0.367SS..EExtended strand (participates in β ladder)trans-63128.7174.800000110.7C67C67-A75 HydrophobicContact CB-CB 3.97Å
76G94.2Very high94.9Very high16 Ų1663.7 Ų63.717%0.16536%0.364CS..EExtended strand (participates in β ladder)trans-151.1-158.7178.500000111.2V74 P82 S83V74-G76 PolarHBondContact O-N 2.8Å; G76-P82 WeakPolarHBondContact O-CA 3.38Å; G76-S83 CarbonylContact C-O 3.46Å; G76-S83 PolarHBondContact N-O 3.16Å; G76-S83 PolarHBondContact O-N 2.76Å; G76-S83 VanDerWaalsContact O-O 3.14Å
77T94Very high94.9Very high37 Ų3758.9 Ų58.923%0.22735%0.347CS..EExtended strand (participates in β ladder)trans-137.1131.7-177.3-59.20000110.2R81 M98 P100 W116T77-R81 CarbonylContact C-O 3.59Å; T77-R81 VanDerWaalsContact CA-O 3.3Å; T77-R81 WeakPolarHBondContact CA-O 3Å; T77-R81 WeakPolarHBondContact CG2-O 3.06Å; T77-M98 WeakPolarHBondContact O-CG 3.46Å; T77-M98 VanDerWaalsContact O-SD 3.4Å; T77-P100 HydrophobicContact CG2-CB 4.34Å; T77-W116 HydrophobicContact CG2-CZ2 4.5Å
78T94.7Very high95Very high47 Ų4759.9 Ų59.929%0.28836%0.355SS..EExtended strand (participates in β ladder)trans-132.1130.7173.9-57.30000108.4N80 R81 S83 M98T78-N80 VanDerWaalsContact C-N 3.3Å; T78-N80 PolarHBondContact O-N 2.97Å; T78-R81 PolarHBondContact N-O 2.04Å; T78-R81 PolarHBondContact O-N 3.24Å; T78-S83 WeakPolarHBondContact CB-OG 3.49Å; T78-S83 PolarHBondContact N-OG 2.8Å; T78-S83 VanDerWaalsContact N-OG 3.12Å; T78-S83 PolarHBondContact OG1-OG 3.12Å; T78-M98 PolarHBondContact OG1-O 3.17Å
79R94.8Very high95Very high86 Ų8657 Ų5733%0.32533%0.333SS..THydrogen-bonded Turntrans46.450.4-178.9-56.4-54.8-178.5170.1-3.1113.3R81 E99 C101 L102R79-R81 PolarHBondContact O-N 2.95Å; R79-E99 IonicContact CZ-OE2 3.51Å; R79-E99 PolarHBondContact N-O 2.91Å; R79-E99 IonicContact NE-OE2 3.55Å; R79-E99 IonicContact NH2-OE1 2.81Å; R79-E99 PolarHBondContact NH2-OE1 3.5Å; R79-E99 IonicContact NH2-OE2 2.99Å; R79-E99 PolarHBondContact NH2-OE2 2.79Å; R79-C101 WeakPolarHBondContact CD-O 3.28Å; R79-C101 PolarHBondContact NH1-O 3.49Å; R79-L102 HydrophobicContact CB-CD2 4.5Å
80N92.8Very high95Very high88 Ų8857.3 Ų57.347%0.47133%0.334SS..THydrogen-bonded Turntrans58.625.9179.8-161.555.2000114.5T78 P100 L102 K125T78-N80 VanDerWaalsContact C-N 3.3Å; T78-N80 PolarHBondContact O-N 2.97Å; N80-P100 PolarHBondContact N-O 2.92Å; N80-L102 HydrophobicContact CB-CD1 4.45Å; N80-L102 HydrophobicContact CB-CD2 3.92Å; N80-L102 HydrophobicContact CB-CG 3.95Å; N80-K125 PolarHBondContact OD1-NZ 3.28Å
81R92.8Very high95Very high188 Ų18859.6 Ų59.671%0.70935%0.345SS*.EExtended strand (participates in β ladder)trans-129.4147.8175.1-66.3-174.6179-170.70.8110.9T77 T78 R79 S83T77-R81 CarbonylContact C-O 3.59Å; T77-R81 VanDerWaalsContact CA-O 3.3Å; T77-R81 WeakPolarHBondContact CA-O 3Å; T77-R81 WeakPolarHBondContact CG2-O 3.06Å; T78-R81 PolarHBondContact N-O 2.04Å; T78-R81 PolarHBondContact O-N 3.24Å; R79-R81 PolarHBondContact O-N 2.95Å; R81-S83 PolarHBondContact O-N 3.46Å
82P94.5Very high95.1Very high38 Ų3854.7 Ų54.725%0.24732%0.319CS..EExtended strand (participates in β ladder)trans-66.2135174.430.8-35.6000110.1C44 V46 V65 G76C44-P82 HydrophobicContact CB-CB 4.02Å; C44-P82 HydrophobicContact CB-CG 4.48Å; C44-P82 WeakPolarHBondContact CB-O 3.28Å; V46-P82 HydrophobicContact CG2-CG 3.94Å; V65-P82 HydrophobicContact CB-CB 4.32Å; V65-P82 HydrophobicContact CG1-CB 3.86Å; V65-P82 HydrophobicContact CG1-CG 4.02Å; G76-P82 WeakPolarHBondContact O-CA 3.38Å
83S94.9Very high95.2Very high17 Ų1756.7 Ų56.712%0.11931%0.312CS..EExtended strand (participates in β ladder)trans-148.4164.9-17561.50000110.9C44 G76 T78 R81 V85C44-S83 PolarHBondContact SG-O 3.19Å; C44-S83 VanDerWaalsContact SG-O 3.41Å; G76-S83 CarbonylContact C-O 3.46Å; G76-S83 PolarHBondContact N-O 3.16Å; G76-S83 PolarHBondContact O-N 2.76Å; G76-S83 VanDerWaalsContact O-O 3.14Å; T78-S83 WeakPolarHBondContact CB-OG 3.49Å; T78-S83 PolarHBondContact N-OG 2.8Å; T78-S83 VanDerWaalsContact N-OG 3.12Å; T78-S83 PolarHBondContact OG1-OG 3.12Å; R81-S83 PolarHBondContact O-N 3.46Å; S83-V85 WeakPolarHBondContact OG-CG1 3.03Å
84C95.8Very high95.3Very high17 Ų1759.8 Ų59.812%0.11532%0.322CS..EExtended strand (participates in β ladder)trans-90.5124.7166.9-67.10000108.8G41 C69 K73 V74G41-C84 WeakPolarHBondContact O-CB 3.33Å; C69-C84 WeakPolarHBondContact CA-SG 3.24Å; C69-C84 HydrophobicContact CB-CB 3.74Å; C69-C84 WeakPolarHBondContact CB-SG 3.45Å; C69-C84 VanDerWaalsContact SG-CA 3.6Å; C69-C84 WeakPolarHBondContact SG-CB 3.49Å; C69-C84 CovalentContact SG-SG 2.04Å; C69-C84 PolarHBondContact SG-SG 3.15Å; K73-C84 HydrophobicContact CB-CB 4.24Å; V74-C84 WeakPolarHBondContact O-CA 3.48Å
85V95.5Very high95.4Very high8 Ų857.5 Ų57.55%0.04831%0.307CS..EExtended strand (participates in β ladder)trans-122.5164.3-177.4-56.40000110K73 V74 S83 A87 V90 M98K73-V85 CarbonylContact C-O 3.46Å; K73-V85 WeakPolarHBondContact CA-O 3.34Å; K73-V85 WeakPolarHBondContact CB-O 3.08Å; V74-V85 HydrophobicContact CG2-CG2 4.17Å; V74-V85 PolarHBondContact N-O 3.47Å; V74-V85 PolarHBondContact O-N 3.35Å; S83-V85 WeakPolarHBondContact OG-CG1 3.03Å; V85-A87 PolarHBondContact O-N 2.84Å; V85-V90 HydrophobicContact CG2-CG2 4.04Å; V85-M98 HydrophobicContact CB-CB 4.19Å; V85-M98 HydrophobicContact CG1-CB 3.77Å; V85-M98 HydrophobicContact CG1-SD 4.28Å; V85-M98 HydrophobicContact CG2-SD 4.36Å
86D95.8Very high95.5Very high65 Ų6556.5 Ų56.535%0.34830%0.296SS..EExtended strand (participates in β ladder)trans-61.6134.8176-71-70.1000112.3K73 S88 I89K73-D86 WeakPolarHBondContact CD-OD1 3.28Å; K73-D86 WeakPolarHBondContact CE-OD1 3.47Å; K73-D86 IonicContact NZ-OD1 2.91Å; K73-D86 PolarHBondContact NZ-OD1 3.47Å; K73-D86 IonicContact NZ-OD2 3.56Å; K73-D86 PolarHBondContact NZ-OD2 2.92Å; D86-S88 PolarHBondContact O-N 2.86Å; D86-I89 HydrophobicContact CB-CD1 4.04Å; D86-I89 HydrophobicContact CB-CG1 4.13Å; D86-I89 WeakPolarHBondContact O-CB 3.38Å; D86-I89 PolarHBondContact O-N 2.85Å; D86-I89 VanDerWaalsContact O-N 3.15Å
87A95.9Very high95.7Very high22 Ų2261.4 Ų61.418%0.18232%0.315CS..Hα-helixtrans-59.5-32.8177.200000112.2G72 V74 V85 I89 V90 I91G72-A87 VanDerWaalsContact O-CB 3.31Å; G72-A87 WeakPolarHBondContact O-CB 3.16Å; G72-A87 PolarHBondContact O-N 3.2Å; V74-A87 HydrophobicContact CG1-CB 3.98Å; V74-A87 HydrophobicContact CG2-CB 4.47Å; V85-A87 PolarHBondContact O-N 2.84Å; A87-I89 VanDerWaalsContact C-N 3.28Å; A87-I89 PolarHBondContact O-N 2.03Å; A87-V90 PolarHBondContact O-N 2.89Å; A87-I91 HydrophobicContact CB-CD1 4.25Å; A87-I91 WeakPolarHBondContact O-CB 3.38Å; A87-I91 WeakPolarHBondContact O-CD1 2.99Å; A87-I91 VanDerWaalsContact O-CG1 3.24Å; A87-I91 WeakPolarHBondContact O-CG1 3.43Å; A87-I91 PolarHBondContact O-N 2.91Å
88S97.1Very high95.8Very high61 Ų6160 Ų6043%0.42731%0.306SS..Hα-helixtrans-58.7-37.3177.151.80000112.7D86 V90 I91 G92D86-S88 PolarHBondContact O-N 2.86Å; S88-V90 VanDerWaalsContact C-N 3.35Å; S88-V90 PolarHBondContact O-N 2.05Å; S88-I91 PolarHBondContact O-N 3.44Å; S88-G92 WeakPolarHBondContact O-CA 3.46Å; S88-G92 PolarHBondContact O-N 2.87Å
89I96.7Very high95.9Very high14 Ų1462.6 Ų62.67%0.07232%0.315CS..Hα-helixtrans-61.2-46.3177.6-64.5171.8000110.1D86 A87 K93 W94 E97 M98D86-I89 HydrophobicContact CB-CD1 4.04Å; D86-I89 HydrophobicContact CB-CG1 4.13Å; D86-I89 WeakPolarHBondContact O-CB 3.38Å; D86-I89 PolarHBondContact O-N 2.85Å; D86-I89 VanDerWaalsContact O-N 3.15Å; A87-I89 VanDerWaalsContact C-N 3.28Å; A87-I89 PolarHBondContact O-N 2.03Å; I89-K93 CarbonylContact O-C 3.53Å; I89-K93 WeakPolarHBondContact O-CA 3Å; I89-K93 PolarHBondContact O-N 3.2Å; I89-W94 HydrophobicContact CG2-CB 4.43Å; I89-W94 WeakPolarHBondContact CG2-O 3.47Å; I89-W94 PolarHBondContact O-N 2.89Å; I89-E97 HydrophobicContact CD1-CB 4.18Å; I89-E97 HydrophobicContact CG1-CB 4.18Å; I89-E97 HydrophobicContact CG2-CB 4.41Å; I89-M98 HydrophobicContact CD1-CB 4.17Å; I89-M98 HydrophobicContact CG2-CB 4.17Å; I89-M98 HydrophobicContact CG2-CG 4.35Å
90V95.5Very high96Very high47 Ų4758.6 Ų58.629%0.28530%0.3SS..Hα-helixtrans-72.6-40.9-178.1179.80000111.4V74 V85 A87 S88 K93 W95V74-V90 HydrophobicContact CG2-CB 4.17Å; V74-V90 HydrophobicContact CG2-CG2 3.61Å; V85-V90 HydrophobicContact CG2-CG2 4.04Å; A87-V90 PolarHBondContact O-N 2.89Å; S88-V90 VanDerWaalsContact C-N 3.35Å; S88-V90 PolarHBondContact O-N 2.05Å; V90-K93 PolarHBondContact O-N 2.86Å; V90-W95 HydrophobicContact CB-CZ3 4.25Å; V90-W95 HydrophobicContact CG1-CH2 4Å; V90-W95 HydrophobicContact CG1-CZ3 3.96Å; V90-W95 HydrophobicContact CG2-CZ3 4.21Å
91I95Very high96.2Very high137 Ų13754.6 Ų54.670%0.70328%0.279SS*.Hα-helixtrans-66.1-46.6178.2-68.2165.5000110.7A87 S88 K93A87-I91 HydrophobicContact CB-CD1 4.25Å; A87-I91 WeakPolarHBondContact O-CB 3.38Å; A87-I91 WeakPolarHBondContact O-CD1 2.99Å; A87-I91 VanDerWaalsContact O-CG1 3.24Å; A87-I91 WeakPolarHBondContact O-CG1 3.43Å; A87-I91 PolarHBondContact O-N 2.91Å; S88-I91 PolarHBondContact O-N 3.44Å; I91-K93 PolarHBondContact O-N 2.84Å
92G96.5Very high96.4Very high29 Ų2949.2 Ų49.230%0.29926%0.264SS..Hα-helixtrans-73.7-11.4176.700000113.7S88 W94S88-G92 WeakPolarHBondContact O-CA 3.46Å; S88-G92 PolarHBondContact O-N 2.87Å; G92-W94 PolarHBondContact O-N 3.48Å; G92-W94 PolarHBondContact O-NE1 2.85Å; G92-W94 VanDerWaalsContact O-NE1 3.16Å
93K96.7Very high96.4Very high97 Ų9755.7 Ų55.742%0.42229%0.291SS..THydrogen-bonded Turntrans59.433.4-175.4-51.3-178.5-178.3-179.10112.5I89 V90 I91 W95 N113I89-K93 CarbonylContact O-C 3.53Å; I89-K93 WeakPolarHBondContact O-CA 3Å; I89-K93 PolarHBondContact O-N 3.2Å; V90-K93 PolarHBondContact O-N 2.86Å; I91-K93 PolarHBondContact O-N 2.84Å; K93-W95 HydrophobicContact CB-CZ2 3.86Å; K93-W95 HydrophobicContact CG-CZ2 3.88Å; K93-W95 VanDerWaalsContact O-CD1 3.25Å; K93-W95 PolarHBondContact O-N 3.39Å; K93-W95 PolarHBondContact O-NE1 3.48Å; K93-N113 HydrophobicContact CB-CB 4.36Å; K93-N113 HydrophobicContact CD-CB 3.59Å
94W97.6Very high96.5Very high127 Ų12758.6 Ų58.648%0.48132%0.323SS..  trans-84.250.8179.5-51-30.1000110.9I89 G92 C96 E97I89-W94 HydrophobicContact CG2-CB 4.43Å; I89-W94 WeakPolarHBondContact CG2-O 3.47Å; I89-W94 PolarHBondContact O-N 2.89Å; G92-W94 PolarHBondContact O-N 3.48Å; G92-W94 PolarHBondContact O-NE1 2.85Å; G92-W94 VanDerWaalsContact O-NE1 3.16Å; W94-C96 PolarHBondContact O-N 3.41Å; W94-E97 HydrophobicContact CB-CB 4.35Å; W94-E97 HydrophobicContact CB-CG 3.92Å; W94-E97 VanDerWaalsContact CE3-OE2 3.29Å; W94-E97 WeakPolarHBondContact O-CB 3.49Å; W94-E97 PolarHBondContact O-N 3.01Å
95W97.6Very high96.6Very high5 Ų560.1 Ų60.12%0.01933%0.328CS..THydrogen-bonded Turntrans-53.2-26.8-164.4-53114000115.5V90 K93 M98 P100 N113 G115 W116 I129V90-W95 HydrophobicContact CB-CZ3 4.25Å; V90-W95 HydrophobicContact CG1-CH2 4Å; V90-W95 HydrophobicContact CG1-CZ3 3.96Å; V90-W95 HydrophobicContact CG2-CZ3 4.21Å; K93-W95 HydrophobicContact CB-CZ2 3.86Å; K93-W95 HydrophobicContact CG-CZ2 3.88Å; K93-W95 VanDerWaalsContact O-CD1 3.25Å; K93-W95 PolarHBondContact O-N 3.39Å; K93-W95 PolarHBondContact O-NE1 3.48Å; W95-M98 HydrophobicContact CE3-CE 4.24Å; W95-M98 WeakPolarHBondContact O-CG 3.41Å; W95-P100 VanDerWaalsContact O-CD 3.28Å; W95-P100 WeakPolarHBondContact O-CD 3.49Å; W95-P100 WeakPolarHBondContact O-CG 3.3Å; W95-N113 PolarHBondContact NE1-O 2.94Å; W95-G115 VanDerWaalsContact CD1-C 3.46Å; W95-G115 PolarHBondContact NE1-O 3.3Å; W95-W116 HydrophobicContact CB-CB 3.78Å; W95-W116 HydrophobicContact CB-CD2 4.31Å; W95-W116 HydrophobicContact CB-CE3 3.92Å; W95-W116 HydrophobicContact CB-CG 4.3Å; W95-W116 HydrophobicContact CD2-CE3 4.09Å; W95-W116 HydrophobicContact CD2-CZ3 4.49Å; W95-W116 HydrophobicContact CE3-CE3 4.12Å; W95-W116 HydrophobicContact CE3-CZ3 4.1Å; W95-W116 HydrophobicContact CG-CB 4.42Å; W95-W116 HydrophobicContact CG-CE3 4.02Å; W95-I129 HydrophobicContact CH2-CD1 3.47Å; W95-I129 VanDerWaalsContact CH2-CD1 3.47Å; W95-I129 HydrophobicContact CH2-CG1 4.13Å; W95-I129 HydrophobicContact CH2-CG2 4.49Å; W95-I129 HydrophobicContact CZ2-CD1 3.61Å; W95-I129 HydrophobicContact CZ2-CG1 4.07Å
96C97.9Very high96.7Very high40 Ų4064.9 Ų64.927%0.2735%0.35SS..THydrogen-bonded Turntrans-80.6-16.8178.4-65.80000114.2W94 M98 E99 C107 K108W94-C96 PolarHBondContact O-N 3.41Å; C96-M98 VanDerWaalsContact C-N 3.29Å; C96-M98 PolarHBondContact O-N 3.49Å; C96-E99 PolarHBondContact O-N 3.45Å; C96-E99 VanDerWaalsContact O-N 3.1Å; C96-C107 WeakPolarHBondContact CA-SG 3.43Å; C96-C107 HydrophobicContact CB-CB 3.8Å; C96-C107 WeakPolarHBondContact CB-SG 3.38Å; C96-C107 WeakPolarHBondContact SG-CB 3.41Å; C96-C107 CovalentContact SG-SG 2.05Å; C96-C107 PolarHBondContact SG-SG 3.28Å; C96-K108 PolarHBondContact SG-N 2.82Å
97E97.4Very high96.8Very high119 Ų11963.5 Ų63.556%0.55635%0.345SS*.THydrogen-bonded Turntrans-68.2-27.5175.7-68.9-174.3-174.400112.6I89 W94 E99I89-E97 HydrophobicContact CD1-CB 4.18Å; I89-E97 HydrophobicContact CG1-CB 4.18Å; I89-E97 HydrophobicContact CG2-CB 4.41Å; W94-E97 HydrophobicContact CB-CB 4.35Å; W94-E97 HydrophobicContact CB-CG 3.92Å; W94-E97 VanDerWaalsContact CE3-OE2 3.29Å; W94-E97 WeakPolarHBondContact O-CB 3.49Å; W94-E97 PolarHBondContact O-N 3.01Å; E97-E99 PolarHBondContact O-N 2.81Å
98M95.7Very high96.9Very high9 Ų967 Ų674%0.04436%0.356CS..THydrogen-bonded Turntrans-77.92.4172.864.6178.6-176.100113.9T77 T78 V85 I89 W95 C96 P100 W116T77-M98 WeakPolarHBondContact O-CG 3.46Å; T77-M98 VanDerWaalsContact O-SD 3.4Å; T78-M98 PolarHBondContact OG1-O 3.17Å; V85-M98 HydrophobicContact CB-CB 4.19Å; V85-M98 HydrophobicContact CG1-CB 3.77Å; V85-M98 HydrophobicContact CG1-SD 4.28Å; V85-M98 HydrophobicContact CG2-SD 4.36Å; I89-M98 HydrophobicContact CD1-CB 4.17Å; I89-M98 HydrophobicContact CG2-CB 4.17Å; I89-M98 HydrophobicContact CG2-CG 4.35Å; W95-M98 HydrophobicContact CE3-CE 4.24Å; W95-M98 WeakPolarHBondContact O-CG 3.41Å; C96-M98 VanDerWaalsContact C-N 3.29Å; C96-M98 PolarHBondContact O-N 3.49Å; M98-P100 HydrophobicContact CE-CB 3.9Å; M98-P100 HydrophobicContact CE-CG 4.2Å; M98-P100 HydrophobicContact CG-CB 4.46Å; M98-W116 HydrophobicContact CE-CD2 4.01Å; M98-W116 HydrophobicContact CE-CE3 3.71Å; M98-W116 HydrophobicContact CE-CH2 3.46Å; M98-W116 VanDerWaalsContact CE-CH2 3.46Å; M98-W116 HydrophobicContact CE-CZ2 3.75Å; M98-W116 HydrophobicContact CE-CZ3 3.44Å; M98-W116 VanDerWaalsContact CE-CZ3 3.44Å
99E97.2Very high96.9Very high101 Ų10166.6 Ų66.647%0.47235%0.352SS..  trans48.160.1-177.7-56.7-165123.600113.5R79 C96 E97 C101R79-E99 IonicContact CZ-OE2 3.51Å; R79-E99 PolarHBondContact N-O 2.91Å; R79-E99 IonicContact NE-OE2 3.55Å; R79-E99 IonicContact NH2-OE1 2.81Å; R79-E99 PolarHBondContact NH2-OE1 3.5Å; R79-E99 IonicContact NH2-OE2 2.99Å; R79-E99 PolarHBondContact NH2-OE2 2.79Å; C96-E99 PolarHBondContact O-N 3.45Å; C96-E99 VanDerWaalsContact O-N 3.1Å; E97-E99 PolarHBondContact O-N 2.81Å; E99-C101 PolarHBondContact O-N 2.98Å
100P97Very high97Very high2 Ų266.3 Ų66.31%0.01335%0.35CS..  trans-71.9-17.6-172.329.7-35.5000113.5T77 N80 W95 M98 W116T77-P100 HydrophobicContact CG2-CB 4.34Å; N80-P100 PolarHBondContact N-O 2.92Å; W95-P100 VanDerWaalsContact O-CD 3.28Å; W95-P100 WeakPolarHBondContact O-CD 3.49Å; W95-P100 WeakPolarHBondContact O-CG 3.3Å; M98-P100 HydrophobicContact CE-CB 3.9Å; M98-P100 HydrophobicContact CE-CG 4.2Å; M98-P100 HydrophobicContact CG-CB 4.46Å; P100-W116 HydrophobicContact CB-CD2 4.33Å; P100-W116 HydrophobicContact CB-CG 4.45Å; P100-W116 HydrophobicContact CB-CZ2 4.01Å; P100-W116 VanDerWaalsContact CB-NE1 3.33Å; P100-W116 VanDerWaalsContact CG-CD1 3.45Å; P100-W116 HydrophobicContact CG-CD2 4.18Å; P100-W116 HydrophobicContact CG-CG 3.89Å
101C97.8Very high97.1Very high4 Ų470 Ų703%0.02738%0.375CS..SBendtrans-92.9154.7-173.9-510000112.5R79 E99 E105 C107 C118R79-C101 WeakPolarHBondContact CD-O 3.28Å; R79-C101 PolarHBondContact NH1-O 3.49Å; E99-C101 PolarHBondContact O-N 2.98Å; C101-E105 WeakPolarHBondContact CA-OE2 3.2Å; C101-E105 HydrophobicContact CB-CB 3.79Å; C101-E105 HydrophobicContact CB-CG 4.48Å; C101-E105 WeakPolarHBondContact CB-OE2 3.29Å; C101-C107 VanDerWaalsContact SG-CB 3.6Å; C101-C118 WeakPolarHBondContact CA-SG 3.21Å; C101-C118 HydrophobicContact CB-CB 3.64Å; C101-C118 WeakPolarHBondContact CB-SG 3.45Å; C101-C118 WeakPolarHBondContact SG-CA 3.37Å; C101-C118 WeakPolarHBondContact SG-CB 3.5Å; C101-C118 CovalentContact SG-SG 2.03Å; C101-C118 PolarHBondContact SG-SG 2.86Å
102L96.7Very high97.1Very high75 Ų7567.4 Ų67.439%0.39336%0.362SS..PPolyproline II helixtrans-69.9166.6174.5-66.4172000110.9R79 N80 G104 E105R79-L102 HydrophobicContact CB-CD2 4.5Å; N80-L102 HydrophobicContact CB-CD1 4.45Å; N80-L102 HydrophobicContact CB-CD2 3.92Å; N80-L102 HydrophobicContact CB-CG 3.95Å; L102-G104 PolarHBondContact O-N 2.82Å; L102-E105 HydrophobicContact CB-CG 3.94Å; L102-E105 PolarHBondContact N-OE2 2.84Å; L102-E105 PolarHBondContact O-N 3.04Å
103E95.1Very high97.1Very high174 Ų17469.7 Ų69.781%0.81337%0.368SS*.THydrogen-bonded Turntrans-59.5135.8172.5-68.3175.5-168.200110.7E105E103-E105 VanDerWaalsContact C-N 3.3Å; E103-E105 PolarHBondContact O-N 3.22Å
104G95.7Very high97.1Very high77 Ų7766.2 Ų66.279%0.79436%0.356SS*.THydrogen-bonded Turntrans82-2.3-176.400000115.4L102L102-G104 PolarHBondContact O-N 2.82Å
105E97.9Very high97Very high49 Ų4960.2 Ų60.223%0.22933%0.333CS..PPolyproline II helixtrans-93.7140170.3-45-165.5128.700110.4C101 L102 E103 C118 A119 T120 K125C101-E105 WeakPolarHBondContact CA-OE2 3.2Å; C101-E105 HydrophobicContact CB-CB 3.79Å; C101-E105 HydrophobicContact CB-CG 4.48Å; C101-E105 WeakPolarHBondContact CB-OE2 3.29Å; L102-E105 HydrophobicContact CB-CG 3.94Å; L102-E105 PolarHBondContact N-OE2 2.84Å; L102-E105 PolarHBondContact O-N 3.04Å; E103-E105 VanDerWaalsContact C-N 3.3Å; E103-E105 PolarHBondContact O-N 3.22Å; E105-C118 HydrophobicContact CB-CB 4.23Å; E105-C118 WeakPolarHBondContact OE2-CB 3.19Å; E105-A119 CarbonylContact C-O 3.47Å; E105-A119 WeakPolarHBondContact CA-O 2.93Å; E105-T120 WeakPolarHBondContact CG-OG1 3.4Å; E105-K125 IonicContact OE2-NZ 2.91Å
106E97.8Very high97.1Very high108 Ų10860.6 Ų60.651%0.50534%0.335SS..EExtended strand (participates in β ladder)trans-87.2123.9172.9-169.3-172-175.500110.2K108 C118 A119E106-K108 WeakPolarHBondContact OE1-CE 3.49Å; E106-K108 IonicContact OE1-NZ 2.66Å; E106-K108 PolarHBondContact OE1-NZ 2.88Å; E106-K108 WeakPolarHBondContact OE2-CE 3.34Å; E106-K108 IonicContact OE2-NZ 2.75Å; E106-K108 PolarHBondContact OE2-NZ 3.29Å; E106-C118 WeakPolarHBondContact O-CA 3.37Å; E106-A119 PolarHBondContact N-O 2.9Å; E106-A119 PolarHBondContact O-N 2.82Å
107C98.4Very high97.1Very high37 Ų3760.7 Ų60.725%0.2533%0.332CS..EExtended strand (participates in β ladder)trans-88.3132.5175.2-173.70000111.5C96 C101 M117C96-C107 WeakPolarHBondContact CA-SG 3.43Å; C96-C107 HydrophobicContact CB-CB 3.8Å; C96-C107 WeakPolarHBondContact CB-SG 3.38Å; C96-C107 WeakPolarHBondContact SG-CB 3.41Å; C96-C107 CovalentContact SG-SG 2.05Å; C96-C107 PolarHBondContact SG-SG 3.28Å; C101-C107 VanDerWaalsContact SG-CB 3.6Å; C107-M117 WeakPolarHBondContact CA-O 3.26Å
108K97.9Very high97.1Very high94 Ų9455 Ų5541%0.40931%0.305SS..EExtended strand (participates in β ladder)trans-134.4139.4169.5-68.4178.9175.1146.40111.3C96 E106 W116 M117C96-K108 PolarHBondContact SG-N 2.82Å; E106-K108 WeakPolarHBondContact OE1-CE 3.49Å; E106-K108 IonicContact OE1-NZ 2.66Å; E106-K108 PolarHBondContact OE1-NZ 2.88Å; E106-K108 WeakPolarHBondContact OE2-CE 3.34Å; E106-K108 IonicContact OE2-NZ 2.75Å; E106-K108 PolarHBondContact OE2-NZ 3.29Å; K108-W116 CarbonylContact O-C 3.59Å; K108-W116 VanDerWaalsContact O-CA 3.26Å; K108-W116 WeakPolarHBondContact O-CA 3.41Å; K108-M117 HydrophobicContact CB-CG 3.78Å; K108-M117 HydrophobicContact CB-SD 4.25Å; K108-M117 PolarHBondContact N-O 2.86Å; K108-M117 PolarHBondContact O-N 3.13Å
109T97.7Very high97.2Very high54 Ų5455.6 Ų55.633%0.33131%0.311SS..EExtended strand (participates in β ladder)trans-69.4139168.5-63.10000110
110L98.2Very high97.2Very high7 Ų753.7 Ų53.74%0.03731%0.307CS..  trans-65.7146.6174.6-66.2177000110.9D112 N113 G115 M117 T126 R128L110-D112 WeakPolarHBondContact CB-OD1 3.4Å; L110-D112 PolarHBondContact O-N 2.93Å; L110-D112 VanDerWaalsContact O-N 3.13Å; L110-N113 WeakPolarHBondContact O-CA 3.05Å; L110-N113 PolarHBondContact O-N 2.79Å; L110-G115 PolarHBondContact N-O 3.09Å; L110-M117 HydrophobicContact CD2-CB 4.44Å; L110-M117 HydrophobicContact CD2-CE 3.56Å; L110-T126 HydrophobicContact CD1-CG2 3.89Å; L110-T126 HydrophobicContact CD2-CG2 3.87Å; L110-T126 HydrophobicContact CG-CG2 4.46Å; L110-R128 HydrophobicContact CD1-CG 3.66Å
111P96.9Very high97.1Very high124 Ų12457 Ų5781%0.80534%0.341SS*.THydrogen-bonded Turntrans-58.4-29.4-176.6-26.634.8000115N113P111-N113 VanDerWaalsContact C-N 3.27Å
112D96.1Very high96.9Very high83 Ų8365 Ų6544%0.44438%0.384SS..THydrogen-bonded Turntrans-86.54177.558.28.6000113L110 S114 R128L110-D112 WeakPolarHBondContact CB-OD1 3.4Å; L110-D112 PolarHBondContact O-N 2.93Å; L110-D112 VanDerWaalsContact O-N 3.13Å; D112-S114 PolarHBondContact O-N 2.96Å; D112-S114 VanDerWaalsContact O-N 3.09Å; D112-S114 WeakPolarHBondContact OD1-CB 3.41Å; D112-S114 PolarHBondContact OD1-N 2.94Å; D112-S114 PolarHBondContact OD1-OG 3.25Å; D112-S114 PolarHBondContact OD2-OG 2.81Å; D112-R128 IonicContact OD2-CZ 3.98Å; D112-R128 IonicContact OD2-NH1 2.87Å; D112-R128 PolarHBondContact OD2-NH1 3Å
113N96Very high96.9Very high77 Ų7769.6 Ų69.641%0.41240%0.401SS..SBendtrans55.118.6-171.6-55.1-53.2000113.9K93 W95 L110 P111 G115K93-N113 HydrophobicContact CB-CB 4.36Å; K93-N113 HydrophobicContact CD-CB 3.59Å; W95-N113 PolarHBondContact NE1-O 2.94Å; L110-N113 WeakPolarHBondContact O-CA 3.05Å; L110-N113 PolarHBondContact O-N 2.79Å; P111-N113 VanDerWaalsContact C-N 3.27Å; N113-G115 PolarHBondContact O-N 2.6Å
114S95.9Very high96.9Very high25 Ų2566.5 Ų66.518%0.17539%0.388CS..SBendtrans-79.52.9-178.771.10000113.6D112 R128 I129D112-S114 PolarHBondContact O-N 2.96Å; D112-S114 VanDerWaalsContact O-N 3.09Å; D112-S114 WeakPolarHBondContact OD1-CB 3.41Å; D112-S114 PolarHBondContact OD1-N 2.94Å; D112-S114 PolarHBondContact OD1-OG 3.25Å; D112-S114 PolarHBondContact OD2-OG 2.81Å; S114-R128 CarbonylContact O-C 3.57Å; S114-R128 WeakPolarHBondContact O-CA 3.5Å; S114-R128 PolarHBondContact OG-NH1 2.84Å; S114-R128 VanDerWaalsContact OG-NH1 3.16Å; S114-I129 WeakPolarHBondContact O-CG1 3.46Å; S114-I129 PolarHBondContact O-N 3.35Å
115G97Very high96.9Very high0 Ų065.9 Ų65.90%036%0.364CS..EExtended strand (participates in β ladder)trans155-149.1-18000000111.6W95 L110 N113 T127W95-G115 VanDerWaalsContact CD1-C 3.46Å; W95-G115 PolarHBondContact NE1-O 3.3Å; L110-G115 PolarHBondContact N-O 3.09Å; N113-G115 PolarHBondContact O-N 2.6Å; G115-T127 CarbonylContact C-O 3.59Å; G115-T127 WeakPolarHBondContact CA-O 3.44Å
116W98Very high96.9Very high13 Ų1367 Ų675%0.04937%0.374CS..EExtended strand (participates in β ladder)trans-138.6169.7-173.565.196.2000112.2T77 W95 M98 P100 K108 T127 I129T77-W116 HydrophobicContact CG2-CZ2 4.5Å; W95-W116 HydrophobicContact CB-CB 3.78Å; W95-W116 HydrophobicContact CB-CD2 4.31Å; W95-W116 HydrophobicContact CB-CE3 3.92Å; W95-W116 HydrophobicContact CB-CG 4.3Å; W95-W116 HydrophobicContact CD2-CE3 4.09Å; W95-W116 HydrophobicContact CD2-CZ3 4.49Å; W95-W116 HydrophobicContact CE3-CE3 4.12Å; W95-W116 HydrophobicContact CE3-CZ3 4.1Å; W95-W116 HydrophobicContact CG-CB 4.42Å; W95-W116 HydrophobicContact CG-CE3 4.02Å; M98-W116 HydrophobicContact CE-CD2 4.01Å; M98-W116 HydrophobicContact CE-CE3 3.71Å; M98-W116 HydrophobicContact CE-CH2 3.46Å; M98-W116 VanDerWaalsContact CE-CH2 3.46Å; M98-W116 HydrophobicContact CE-CZ2 3.75Å; M98-W116 HydrophobicContact CE-CZ3 3.44Å; M98-W116 VanDerWaalsContact CE-CZ3 3.44Å; P100-W116 HydrophobicContact CB-CD2 4.33Å; P100-W116 HydrophobicContact CB-CG 4.45Å; P100-W116 HydrophobicContact CB-CZ2 4.01Å; P100-W116 VanDerWaalsContact CB-NE1 3.33Å; P100-W116 VanDerWaalsContact CG-CD1 3.45Å; P100-W116 HydrophobicContact CG-CD2 4.18Å; P100-W116 HydrophobicContact CG-CG 3.89Å; K108-W116 CarbonylContact O-C 3.59Å; K108-W116 VanDerWaalsContact O-CA 3.26Å; K108-W116 WeakPolarHBondContact O-CA 3.41Å; W116-T127 HydrophobicContact CD2-CG2 4.35Å; W116-T127 VanDerWaalsContact CE2-CB 3.5Å; W116-T127 HydrophobicContact CE3-CG2 4.39Å; W116-T127 HydrophobicContact CH2-CG2 3.41Å; W116-T127 VanDerWaalsContact CH2-CG2 3.41Å; W116-T127 HydrophobicContact CZ2-CG2 3.35Å; W116-T127 HydrophobicContact CZ3-CG2 3.95Å; W116-T127 PolarHBondContact N-O 2.87Å; W116-T127 PolarHBondContact O-N 2.99Å; W116-T127 VanDerWaalsContact O-O 3.1Å; W116-I129 HydrophobicContact CZ3-CG2 4.42Å
117M97.9Very high96.8Very high42 Ų4263.9 Ų63.921%0.20736%0.363CS..EExtended strand (participates in β ladder)trans-129.5149.2167.466.7178.876.900110.4C107 K108 L110 I124 K125C107-M117 WeakPolarHBondContact CA-O 3.26Å; K108-M117 HydrophobicContact CB-CG 3.78Å; K108-M117 HydrophobicContact CB-SD 4.25Å; K108-M117 PolarHBondContact N-O 2.86Å; K108-M117 PolarHBondContact O-N 3.13Å; L110-M117 HydrophobicContact CD2-CB 4.44Å; L110-M117 HydrophobicContact CD2-CE 3.56Å; M117-I124 HydrophobicContact CB-CG2 4.17Å; M117-I124 HydrophobicContact SD-CG2 4.22Å; M117-K125 CarbonylContact C-O 3.6Å; M117-K125 WeakPolarHBondContact CA-O 3.19Å
118C98.3Very high96.7Very high1 Ų168.4 Ų68.41%0.00737%0.374CS..EExtended strand (participates in β ladder)trans-115.8119.8169.8-56.20000107.8C101 E105 E106 K125C101-C118 WeakPolarHBondContact CA-SG 3.21Å; C101-C118 HydrophobicContact CB-CB 3.64Å; C101-C118 WeakPolarHBondContact CB-SG 3.45Å; C101-C118 WeakPolarHBondContact SG-CA 3.37Å; C101-C118 WeakPolarHBondContact SG-CB 3.5Å; C101-C118 CovalentContact SG-SG 2.03Å; C101-C118 PolarHBondContact SG-SG 2.86Å; E105-C118 HydrophobicContact CB-CB 4.23Å; E105-C118 WeakPolarHBondContact OE2-CB 3.19Å; E106-C118 WeakPolarHBondContact O-CA 3.37Å; C118-K125 HydrophobicContact CB-CB 4.48Å; C118-K125 PolarHBondContact N-O 3.04Å; C118-K125 PolarHBondContact O-N 3.16Å
119A97.8Very high96.4Very high20 Ų2067.6 Ų67.617%0.16537%0.374CS..EExtended strand (participates in β ladder)trans-114.7134-176.600000111.6E105 E106 K123 I124E105-A119 CarbonylContact C-O 3.47Å; E105-A119 WeakPolarHBondContact CA-O 2.93Å; E106-A119 PolarHBondContact N-O 2.9Å; E106-A119 PolarHBondContact O-N 2.82Å; A119-K123 CarbonylContact C-O 3.59Å; A119-K123 WeakPolarHBondContact CA-O 3.24Å; A119-I124 HydrophobicContact CB-CG1 4.26Å
120T97.2Very high96Very high61 Ų6172.4 Ų72.437%0.37439%0.392SS..EExtended strand (participates in β ladder)trans-137.996.9178-49.10000109E105 N122 K123E105-T120 WeakPolarHBondContact CG-OG1 3.4Å; T120-N122 PolarHBondContact O-N 2.78Å; T120-K123 PolarHBondContact N-O 3.41Å; T120-K123 WeakPolarHBondContact O-CB 3.33Å; T120-K123 PolarHBondContact O-N 3.21Å
121G94Very high94.8Very high72 Ų7277.5 Ų77.574%0.74243%0.426SS*.THydrogen-bonded Turntrans57.7-120.5-169.800000110.7K123G121-K123 VanDerWaalsContact C-N 3.33Å
122N94.7Very high93.5Very high173 Ų17383.7 Ų83.793%0.92543%0.433SS*.THydrogen-bonded Turntrans-87.80.7179.9-62.915.4000113.5T120T120-N122 PolarHBondContact O-N 2.78Å
123K95.7Very high91.3Very high170 Ų17089.5 Ų89.574%0.73947%0.472SS*.EExtended strand (participates in β ladder)trans-96119.1179.6-61.2-177.8-176.2-177.90109.1A119 T120 G121A119-K123 CarbonylContact C-O 3.59Å; A119-K123 WeakPolarHBondContact CA-O 3.24Å; T120-K123 PolarHBondContact N-O 3.41Å; T120-K123 WeakPolarHBondContact O-CB 3.33Å; T120-K123 PolarHBondContact O-N 3.21Å; G121-K123 VanDerWaalsContact C-N 3.33Å
124I96.6Very high91Very high109 Ų10990.2 Ų90.256%0.55948%0.475SS*.EExtended strand (participates in β ladder)trans-119120.9177.8-58.2175.1000108.3M117 A119M117-I124 HydrophobicContact CB-CG2 4.17Å; M117-I124 HydrophobicContact SD-CG2 4.22Å; A119-I124 HydrophobicContact CB-CG1 4.26Å
125K95.8Very high90.8Very high64 Ų6493.6 Ų93.628%0.27849%0.491SS..EExtended strand (participates in β ladder)trans-105117.4172.4178.4-178.566.6-166.70108.4N80 E105 M117 C118N80-K125 PolarHBondContact OD1-NZ 3.28Å; E105-K125 IonicContact OE2-NZ 2.91Å; M117-K125 CarbonylContact C-O 3.6Å; M117-K125 WeakPolarHBondContact CA-O 3.19Å; C118-K125 HydrophobicContact CB-CB 4.48Å; C118-K125 PolarHBondContact N-O 3.04Å; C118-K125 PolarHBondContact O-N 3.16Å
126T96.8Very high90.4Very high72 Ų7298.8 Ų98.844%0.44252%0.518SS..EExtended strand (participates in β ladder)trans-103.8136.5179.3-61.70000110.3L110 R128L110-T126 HydrophobicContact CD1-CG2 3.89Å; L110-T126 HydrophobicContact CD2-CG2 3.87Å; L110-T126 HydrophobicContact CG-CG2 4.46Å; T126-R128 HydrophobicContact CG2-CG 4.24Å
127T96.1Very high90Very high44 Ų44103.8 Ų103.827%0.2755%0.546SS..EExtended strand (participates in β ladder)trans-123.9127.6173.5-57.10000109.1G115 W116G115-T127 CarbonylContact C-O 3.59Å; G115-T127 WeakPolarHBondContact CA-O 3.44Å; W116-T127 HydrophobicContact CD2-CG2 4.35Å; W116-T127 VanDerWaalsContact CE2-CB 3.5Å; W116-T127 HydrophobicContact CE3-CG2 4.39Å; W116-T127 HydrophobicContact CH2-CG2 3.41Å; W116-T127 VanDerWaalsContact CH2-CG2 3.41Å; W116-T127 HydrophobicContact CZ2-CG2 3.35Å; W116-T127 HydrophobicContact CZ3-CG2 3.95Å; W116-T127 PolarHBondContact N-O 2.87Å; W116-T127 PolarHBondContact O-N 2.99Å; W116-T127 VanDerWaalsContact O-O 3.1Å
128R95.6Very high89.5Confident131 Ų131107.7 Ų107.749%0.49457%0.567SS.*EExtended strand (participates in β ladder)trans-118.9137.8179.1-69.2177.8178.7-95.16.2109.7L110 D112 S114 T126L110-R128 HydrophobicContact CD1-CG 3.66Å; D112-R128 IonicContact OD2-CZ 3.98Å; D112-R128 IonicContact OD2-NH1 2.87Å; D112-R128 PolarHBondContact OD2-NH1 3Å; S114-R128 CarbonylContact O-C 3.57Å; S114-R128 WeakPolarHBondContact O-CA 3.5Å; S114-R128 PolarHBondContact OG-NH1 2.84Å; S114-R128 VanDerWaalsContact OG-NH1 3.16Å; T126-R128 HydrophobicContact CG2-CG 4.24Å
129I92.5Very high88.9Confident78 Ų78114.8 Ų114.840%0.460%0.604SS.*PPolyproline II helixtrans-91.9132168.556.2148.4000109W95 S114 W116W95-I129 HydrophobicContact CH2-CD1 3.47Å; W95-I129 VanDerWaalsContact CH2-CD1 3.47Å; W95-I129 HydrophobicContact CH2-CG1 4.13Å; W95-I129 HydrophobicContact CH2-CG2 4.49Å; W95-I129 HydrophobicContact CZ2-CD1 3.61Å; W95-I129 HydrophobicContact CZ2-CG1 4.07Å; S114-I129 WeakPolarHBondContact O-CG1 3.46Å; S114-I129 PolarHBondContact O-N 3.35Å; W116-I129 HydrophobicContact CZ3-CG2 4.42Å
130H88Confident88.3Confident155 Ų155121.6 Ų121.672%0.71864%0.636SS**PPolyproline II helixtrans-102.5127.7169.6-61.790.7000107.3R132H130-R132 PolarHBondContact O-N 2.99Å
131P74.5Confident87.6Confident114 Ų114126.2 Ų126.274%0.7466%0.656SS**PPolyproline II helixtrans-52.8130169.1-20.831.1000108.6T133P131-T133 PolarHBondContact O-N 3.16Å
132R68.9Low87.1Confident253 Ų253130.8 Ų130.896%0.95565%0.649SS**  trans-68.5104.2164-69.2-175.1179.7171.50.3105.5H130H130-R132 PolarHBondContact O-N 2.99Å
133T49.8Very low86.4Confident206 Ų206126.9 Ų126.9100%1.26462%0.624SS**  trans-59.30169.850.30000110.6P131P131-T133 PolarHBondContact O-N 3.16Å

Retrieved 133 of 133 residues in 757.7 ms (Link to these results)