A0A087YRR5_POEFO Loading...

SOSS complex subunit C

Component of the SOSS complex, a multiprotein complex that functions downstream of the MRN complex to promote DNA repair and G2/M checkpoint. The SOSS complex associates with single-stranded DNA at DNA lesions and influences diverse endpoints in the cellular DNA damage response including cell-cycle checkpoint activation, recombinational repair and maintenance of genomic stability. Required for efficient homologous recombination-dependent repair of double-strand breaks (DSBs).

AlphaFold DB , UniProt , Accession A0A087YRR5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 102 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M41Very low52.4Low250 Ų250125.3 Ų125.3100%1.23276%0.757SS**  0101.10-68.8175169.100107.2
2A40Very low53.8Low108 Ų108122.6 Ų122.689%0.89374%0.736SS**PPolyproline II helixtrans-95117.7-176.900000109.5
3A52.1Low55.4Low104 Ų104125.1 Ų125.186%0.8673%0.731SS**PPolyproline II helixtrans-73135.2179.300000110.9
4N53.4Low57.1Low134 Ų134121.6 Ų121.672%0.71771%0.712SS**PPolyproline II helixtrans-83.9131-179.7-143.610.2000109.7
5P55.2Low58.6Low94 Ų94125 Ų12561%0.6171%0.708SS**PPolyproline II helixtrans-76.5139.2-176.528.6-32.1000112.2G7P5-G7 PolarHBondContact O-N 3.49Å
6P56.6Low60.3Low142 Ų142122.4 Ų122.492%0.92270%0.695SS**THydrogen-bonded Turntrans-80.488.5-179.432.7-32.2000110.1
7G54.8Low61.8Low56 Ų56118.6 Ų118.658%0.57768%0.683SS**THydrogen-bonded Turntrans-151.5-3.4176.600000115.6P5 G9P5-G7 PolarHBondContact O-N 3.49Å; G7-G9 PolarHBondContact O-N 3.24Å
8Q55.3Low63.4Low128 Ų128117.3 Ų117.360%0.59867%0.672SS**Hα-helixtrans-913.5-168.3-76.3171.4-25.700114.9N12Q8-N12 WeakPolarHBondContact O-CB 3.39Å; Q8-N12 PolarHBondContact O-N 3.4Å
9G54.4Low64.7Low50 Ų50115.8 Ų115.852%0.51566%0.661SS.*Hα-helixtrans-72.3-41.8-177.800000114.3G7 K13G7-G9 PolarHBondContact O-N 3.24Å; G9-K13 WeakPolarHBondContact O-CG 3.45Å; G9-K13 PolarHBondContact O-N 3.31Å
10F54Low66Low171 Ų171113.1 Ų113.175%0.7565%0.653SS**Hα-helixtrans-77.8-44.2-176.5-79.6-87.4000112.6N12 K13 T14F10-N12 PolarHBondContact O-N 3.47Å; F10-K13 PolarHBondContact O-N 3.48Å; F10-T14 PolarHBondContact O-N 3.4Å; F10-T14 PolarHBondContact O-OG1 3.27Å
11Q59.9Low67.2Low141 Ų141114 Ų11466%0.65965%0.652SS**Hα-helixtrans-61.5-33.6175.9-61.9-64.4-14.300111.8R15Q11-R15 VanDerWaalsContact O-CB 3.26Å; Q11-R15 WeakPolarHBondContact O-CB 3.27Å; Q11-R15 PolarHBondContact O-N 3.24Å
12N68.8Low69.6Low93 Ų93107.2 Ų107.250%0.49762%0.62SS.*Hα-helixtrans-71-41.5177.8-163.8-28000111.4Q8 F10 T14 R15 V16Q8-N12 WeakPolarHBondContact O-CB 3.39Å; Q8-N12 PolarHBondContact O-N 3.4Å; F10-N12 PolarHBondContact O-N 3.47Å; N12-T14 PolarHBondContact O-N 3.28Å; N12-R15 PolarHBondContact O-N 3.25Å; N12-V16 WeakPolarHBondContact O-CB 3.25Å; N12-V16 VanDerWaalsContact O-CG2 3.23Å; N12-V16 WeakPolarHBondContact O-CG2 3.34Å; N12-V16 PolarHBondContact O-N 3.21Å
13K75Confident72Confident155 Ų155106.2 Ų106.267%0.67460%0.599SS**Hα-helixtrans-60.2-43.8172.7-73178.2172.8-172.80112.3G9 F10 V16 A17G9-K13 WeakPolarHBondContact O-CG 3.45Å; G9-K13 PolarHBondContact O-N 3.31Å; F10-K13 PolarHBondContact O-N 3.48Å; K13-V16 PolarHBondContact O-N 3.13Å; K13-A17 WeakPolarHBondContact O-CB 3.36Å; K13-A17 PolarHBondContact O-N 2.79Å
14T78.6Confident73.9Confident76 Ų76108.1 Ų108.147%0.46659%0.588SS.*Hα-helixtrans-63.6-44175.5-55.80000111.5F10 N12 V16 A17 I18F10-T14 PolarHBondContact O-N 3.4Å; F10-T14 PolarHBondContact O-OG1 3.27Å; N12-T14 PolarHBondContact O-N 3.28Å; T14-V16 PolarHBondContact O-N 3.02Å; T14-A17 PolarHBondContact O-N 3.28Å; T14-I18 HydrophobicContact CG2-CD1 3.93Å; T14-I18 VanDerWaalsContact O-CG1 3.28Å; T14-I18 WeakPolarHBondContact O-CG1 3.44Å; T14-I18 PolarHBondContact O-N 2.9Å
15R80.1Confident75.4Confident173 Ų173105.3 Ų105.365%0.65357%0.571SS**Hα-helixtrans-60.3-43.4175.7-176.1-177.2179.9115-0.1112Q11 N12 I18 L19Q11-R15 VanDerWaalsContact O-CB 3.26Å; Q11-R15 WeakPolarHBondContact O-CB 3.27Å; Q11-R15 PolarHBondContact O-N 3.24Å; N12-R15 PolarHBondContact O-N 3.25Å; R15-I18 PolarHBondContact O-N 3Å; R15-L19 HydrophobicContact CG-CD1 4.05Å; R15-L19 WeakPolarHBondContact O-CB 3.44Å; R15-L19 VanDerWaalsContact O-CG 3.27Å; R15-L19 WeakPolarHBondContact O-CG 3.43Å; R15-L19 PolarHBondContact O-N 3.44Å
16V86Confident76.9Confident83 Ų83107 Ų10750%0.50357%0.569SS.*Hα-helixtrans-65.6-41.2178.3171.10000111N12 K13 T14 L19 A20N12-V16 WeakPolarHBondContact O-CB 3.25Å; N12-V16 VanDerWaalsContact O-CG2 3.23Å; N12-V16 WeakPolarHBondContact O-CG2 3.34Å; N12-V16 PolarHBondContact O-N 3.21Å; K13-V16 PolarHBondContact O-N 3.13Å; T14-V16 PolarHBondContact O-N 3.02Å; V16-L19 PolarHBondContact O-N 3.36Å; V16-A20 WeakPolarHBondContact O-CB 3.29Å; V16-A20 PolarHBondContact O-N 2.98Å
17A86.1Confident78.4Confident59 Ų59108.6 Ų108.649%0.48856%0.556SS.*Hα-helixtrans-62.5-45175.800000111.8K13 T14 L19 A20 E21K13-A17 WeakPolarHBondContact O-CB 3.36Å; K13-A17 PolarHBondContact O-N 2.79Å; T14-A17 PolarHBondContact O-N 3.28Å; A17-L19 PolarHBondContact O-N 3.01Å; A17-A20 PolarHBondContact O-N 3.43Å; A17-E21 WeakPolarHBondContact O-CB 3.5Å; A17-E21 PolarHBondContact O-N 3.01Å
18I89.3Confident79.8Confident94 Ų94112.2 Ų112.248%0.48255%0.552SS.*Hα-helixtrans-62-44.9176.6-67.3165.3000111T14 R15 A20 E21 L22T14-I18 HydrophobicContact CG2-CD1 3.93Å; T14-I18 VanDerWaalsContact O-CG1 3.28Å; T14-I18 WeakPolarHBondContact O-CG1 3.44Å; T14-I18 PolarHBondContact O-N 2.9Å; R15-I18 PolarHBondContact O-N 3Å; I18-A20 VanDerWaalsContact C-N 3.34Å; I18-A20 PolarHBondContact O-N 2.99Å; I18-E21 PolarHBondContact O-N 3.43Å; I18-L22 HydrophobicContact CG2-CD1 4.02Å; I18-L22 HydrophobicContact CG2-CG 4.44Å; I18-L22 VanDerWaalsContact O-CG 3.3Å; I18-L22 WeakPolarHBondContact O-CG 3.49Å; I18-L22 PolarHBondContact O-N 2.91Å
19L89.2Confident81Confident90 Ų90110.4 Ų110.447%0.47155%0.547SS..Hα-helixtrans-63.9-40178.5-72.9169.9000112R15 V16 A17 L22 D23R15-L19 HydrophobicContact CG-CD1 4.05Å; R15-L19 WeakPolarHBondContact O-CB 3.44Å; R15-L19 VanDerWaalsContact O-CG 3.27Å; R15-L19 WeakPolarHBondContact O-CG 3.43Å; R15-L19 PolarHBondContact O-N 3.44Å; V16-L19 PolarHBondContact O-N 3.36Å; A17-L19 PolarHBondContact O-N 3.01Å; L19-L22 PolarHBondContact O-N 3Å; L19-D23 PolarHBondContact O-N 3.42Å
20A90.7Very high82Confident60 Ų60114 Ų11450%0.49655%0.553SS.*Hα-helixtrans-65.9-40.1176.600000112.3V16 A17 I18 D23 K24V16-A20 WeakPolarHBondContact O-CB 3.29Å; V16-A20 PolarHBondContact O-N 2.98Å; A17-A20 PolarHBondContact O-N 3.43Å; I18-A20 VanDerWaalsContact C-N 3.34Å; I18-A20 PolarHBondContact O-N 2.99Å; A20-D23 PolarHBondContact O-N 3.45Å; A20-K24 WeakPolarHBondContact O-CB 3.36Å; A20-K24 PolarHBondContact O-N 2.91Å
21E90.1Very high82.8Confident133 Ų133112.1 Ų112.162%0.62155%0.547SS*.Hα-helixtrans-61.7-46.6174.1-171.7110.3-119.800110.9A17 I18 D23 K24 E25A17-E21 WeakPolarHBondContact O-CB 3.5Å; A17-E21 PolarHBondContact O-N 3.01Å; I18-E21 PolarHBondContact O-N 3.43Å; E21-D23 PolarHBondContact O-N 3.08Å; E21-K24 WeakPolarHBondContact O-CB 3.44Å; E21-K24 PolarHBondContact O-N 3.4Å; E21-E25 WeakPolarHBondContact O-CB 3.37Å; E21-E25 PolarHBondContact O-N 3.27Å
22L92.3Very high82.8Confident107 Ų107107.9 Ų107.956%0.5653%0.532SS*.Hα-helixtrans-61.8-40.6177.7-71.9173000112.6I18 L19 E25 K26I18-L22 HydrophobicContact CG2-CD1 4.02Å; I18-L22 HydrophobicContact CG2-CG 4.44Å; I18-L22 VanDerWaalsContact O-CG 3.3Å; I18-L22 WeakPolarHBondContact O-CG 3.49Å; I18-L22 PolarHBondContact O-N 2.91Å; L19-L22 PolarHBondContact O-N 3Å; L22-E25 PolarHBondContact O-N 3.14Å; L22-K26 VanDerWaalsContact O-CB 3.3Å; L22-K26 WeakPolarHBondContact O-CB 3.47Å; L22-K26 PolarHBondContact O-N 2.98Å
23D89.3Confident82.1Confident87 Ų87109.2 Ų109.247%0.46554%0.536SS..Hα-helixtrans-69.5-32.1176.9-93.6-16.5000113.1L19 A20 E21 R27L19-D23 PolarHBondContact O-N 3.42Å; A20-D23 PolarHBondContact O-N 3.45Å; E21-D23 PolarHBondContact O-N 3.08Å; D23-R27 PolarHBondContact O-N 3.4Å; D23-R27 VanDerWaalsContact O-N 3.14Å
24K91.9Very high81Confident144 Ų144106.4 Ų106.463%0.62654%0.536SS*.Hα-helixtrans-69-45.5173-176.9-175.9175.1-169.70110.6A20 E21 R27 R28A20-K24 WeakPolarHBondContact O-CB 3.36Å; A20-K24 PolarHBondContact O-N 2.91Å; E21-K24 WeakPolarHBondContact O-CB 3.44Å; E21-K24 PolarHBondContact O-N 3.4Å; K24-R27 PolarHBondContact O-N 2.93Å; K24-R28 WeakPolarHBondContact O-CB 3.14Å; K24-R28 PolarHBondContact O-N 2.93Å
25E86.5Confident79.6Confident75 Ų75110.1 Ų110.135%0.3555%0.55SS..Hα-helixtrans-64.2-42.9178.8-168.155.6-135.700111.3E21 L22 R27 R28 L29E21-E25 WeakPolarHBondContact O-CB 3.37Å; E21-E25 PolarHBondContact O-N 3.27Å; L22-E25 PolarHBondContact O-N 3.14Å; E25-R27 PolarHBondContact O-N 3.37Å; E25-R28 WeakPolarHBondContact O-CB 3.26Å; E25-R28 PolarHBondContact O-N 2.82Å; E25-R28 IonicContact OE1-CZ 3.12Å; E25-R28 IonicContact OE1-NE 2.84Å; E25-R28 PolarHBondContact OE1-NE 3.5Å; E25-R28 IonicContact OE1-NH2 2.62Å; E25-R28 PolarHBondContact OE1-NH2 3.39Å; E25-R28 IonicContact OE2-NE 3.37Å; E25-R28 PolarHBondContact OE2-NE 2.99Å; E25-L29 HydrophobicContact CG-CD1 4.5Å; E25-L29 WeakPolarHBondContact O-CG 3.49Å; E25-L29 PolarHBondContact O-N 3.23Å
26K86.7Confident78Confident131 Ų131109 Ų10957%0.5756%0.557SS**Hα-helixtrans-57.5-45.9172.4-179.3-176.6175.8-177.20112.1L22 L29 L30L22-K26 VanDerWaalsContact O-CB 3.3Å; L22-K26 WeakPolarHBondContact O-CB 3.47Å; L22-K26 PolarHBondContact O-N 2.98Å; K26-L29 PolarHBondContact O-N 3.27Å; K26-L30 PolarHBondContact O-N 3.01Å
27R86.5Confident75.9Confident175 Ų175107.4 Ų107.466%0.6655%0.549SS*.Hα-helixtrans-64.9-40.8176.1-100.3-178.7-77.1-170.5-7.1112.1D23 K24 E25 L30 Q31D23-R27 PolarHBondContact O-N 3.4Å; D23-R27 VanDerWaalsContact O-N 3.14Å; K24-R27 PolarHBondContact O-N 2.93Å; E25-R27 PolarHBondContact O-N 3.37Å; R27-L30 PolarHBondContact O-N 3.02Å; R27-Q31 VanDerWaalsContact O-CB 3.27Å; R27-Q31 WeakPolarHBondContact O-CB 3.39Å; R27-Q31 PolarHBondContact O-N 3.47Å
28R85.1Confident74Confident131 Ų131110.6 Ų110.649%0.49457%0.565SS.*Hα-helixtrans-60.4-45.2175.7-168.3-16972.677.60.1111.1K24 E25 Q31 S32K24-R28 WeakPolarHBondContact O-CB 3.14Å; K24-R28 PolarHBondContact O-N 2.93Å; E25-R28 WeakPolarHBondContact O-CB 3.26Å; E25-R28 PolarHBondContact O-N 2.82Å; E25-R28 IonicContact OE1-CZ 3.12Å; E25-R28 IonicContact OE1-NE 2.84Å; E25-R28 PolarHBondContact OE1-NE 3.5Å; E25-R28 IonicContact OE1-NH2 2.62Å; E25-R28 PolarHBondContact OE1-NH2 3.39Å; E25-R28 IonicContact OE2-NE 3.37Å; E25-R28 PolarHBondContact OE2-NE 2.99Å; R28-Q31 PolarHBondContact O-N 3.5Å; R28-S32 WeakPolarHBondContact O-CB 3.5Å; R28-S32 PolarHBondContact O-N 3.41Å; R28-S32 PolarHBondContact O-OG 3.41Å
29L79.5Confident71.8Confident91 Ų91108.9 Ų108.948%0.47657%0.57SS.*Hα-helixtrans-64.8-41.7177.2-73.5170.8000112.5E25 K26 S32 Q33E25-L29 HydrophobicContact CG-CD1 4.5Å; E25-L29 WeakPolarHBondContact O-CG 3.49Å; E25-L29 PolarHBondContact O-N 3.23Å; K26-L29 PolarHBondContact O-N 3.27Å; L29-S32 WeakPolarHBondContact CA-OG 3.39Å; L29-S32 PolarHBondContact O-OG 2.96Å; L29-Q33 PolarHBondContact O-N 2.96Å
30L77.5Confident70.3Confident124 Ų124109.6 Ų109.665%0.64959%0.589SS**Hα-helixtrans-65-41.7174.9-122.468.8000111.8K26 R27 Q33 S34K26-L30 PolarHBondContact O-N 3.01Å; R27-L30 PolarHBondContact O-N 3.02Å; L30-Q33 WeakPolarHBondContact O-CB 3.31Å; L30-Q33 PolarHBondContact O-N 3.3Å; L30-S34 PolarHBondContact O-N 3.3Å; L30-S34 VanDerWaalsContact O-N 3.14Å
31Q69.6Low68.4Low133 Ų133113.1 Ų113.162%0.62160%0.6SS**Hα-helixtrans-72.4-35.2178.4-168.7173.861.800112.1R27 R28 Q33 S34 M35R27-Q31 VanDerWaalsContact O-CB 3.27Å; R27-Q31 WeakPolarHBondContact O-CB 3.39Å; R27-Q31 PolarHBondContact O-N 3.47Å; R28-Q31 PolarHBondContact O-N 3.5Å; Q31-Q33 VanDerWaalsContact C-N 3.29Å; Q31-Q33 PolarHBondContact O-N 2.98Å; Q31-S34 WeakPolarHBondContact O-CA 3.49Å; Q31-S34 WeakPolarHBondContact O-CB 3.43Å; Q31-S34 PolarHBondContact O-N 3.23Å; Q31-M35 PolarHBondContact O-N 3.05Å
32S59.8Low66.7Low51 Ų51113.8 Ų113.836%0.35761%0.606SS.*Hα-helixtrans-67.4-30.9171.764.30000112R28 L29 S34 M35 N36R28-S32 WeakPolarHBondContact O-CB 3.5Å; R28-S32 PolarHBondContact O-N 3.41Å; R28-S32 PolarHBondContact O-OG 3.41Å; L29-S32 WeakPolarHBondContact CA-OG 3.39Å; L29-S32 PolarHBondContact O-OG 2.96Å; S32-S34 VanDerWaalsContact C-N 3.27Å; S32-S34 PolarHBondContact O-N 3.06Å; S32-M35 PolarHBondContact O-N 3.44Å; S32-N36 PolarHBondContact O-N 3.44Å; S32-N36 VanDerWaalsContact O-N 3.17Å
33Q55Low64.3Low121 Ų121114 Ų11457%0.56561%0.614SS**Hα-helixtrans-64.1-33.4167.3-112.6-10984.700111.5L29 L30 Q31 M35 S37L29-Q33 PolarHBondContact O-N 2.96Å; L30-Q33 WeakPolarHBondContact O-CB 3.31Å; L30-Q33 PolarHBondContact O-N 3.3Å; Q31-Q33 VanDerWaalsContact C-N 3.29Å; Q31-Q33 PolarHBondContact O-N 2.98Å; Q33-M35 VanDerWaalsContact C-N 3.35Å; Q33-M35 PolarHBondContact O-N 2.96Å; Q33-S37 WeakPolarHBondContact O-CB 3.48Å; Q33-S37 PolarHBondContact O-N 3.46Å; Q33-S37 PolarHBondContact OE1-OG 2.62Å
34S50.9Low62.6Low96 Ų96117 Ų11767%0.67163%0.629SS**Hα-helixtrans-74.3-18178.1-167.10000114.8L30 Q31 S32L30-S34 PolarHBondContact O-N 3.3Å; L30-S34 VanDerWaalsContact O-N 3.14Å; Q31-S34 WeakPolarHBondContact O-CA 3.49Å; Q31-S34 WeakPolarHBondContact O-CB 3.43Å; Q31-S34 PolarHBondContact O-N 3.23Å; S32-S34 VanDerWaalsContact C-N 3.27Å; S32-S34 PolarHBondContact O-N 3.06Å
35M48.7Very low60.7Low154 Ų154115.7 Ų115.776%0.75964%0.638SS**Hα-helixtrans-102.8-9.7174.2-86.4-165.3-81.900114.2Q31 S32 Q33Q31-M35 PolarHBondContact O-N 3.05Å; S32-M35 PolarHBondContact O-N 3.44Å; Q33-M35 VanDerWaalsContact C-N 3.35Å; Q33-M35 PolarHBondContact O-N 2.96Å
36N47Very low59.1Low150 Ų150115.1 Ų115.180%0.80265%0.652SS**Hα-helixtrans-126.417.2177.8-80.851.8000114.3S32S32-N36 PolarHBondContact O-N 3.44Å; S32-N36 VanDerWaalsContact O-N 3.17Å
37S42.8Very low57.3Low49 Ų49119 Ų11934%0.34366%0.663SS.*  trans-133.7116.6176.5-164.80000111.7Q33 G39Q33-S37 WeakPolarHBondContact O-CB 3.48Å; Q33-S37 PolarHBondContact O-N 3.46Å; Q33-S37 PolarHBondContact OE1-OG 2.62Å; S37-G39 PolarHBondContact O-N 3.37Å
38P45.1Very low55.8Low127 Ų127114.7 Ų114.783%0.82566%0.66SS**  trans-70107.7160.213.4-1.1000108.3
39G43.3Very low54.4Low57 Ų57112.2 Ų112.259%0.58866%0.662SS**  trans63.398.914600000117.7S37 N41S37-G39 PolarHBondContact O-N 3.37Å; G39-N41 PolarHBondContact O-N 2.84Å
40A57.8Low53.3Low106 Ų106113.9 Ų113.988%0.87667%0.671SS**  trans-8887.9152.700000109.8
41N51.3Low52.6Low133 Ų133114.4 Ų114.471%0.71167%0.668SS**  trans-156.7105.9156.440-11000108.3G39 P43G39-N41 PolarHBondContact O-N 2.84Å; N41-P43 WeakPolarHBondContact O-CD 3.44Å
42I53.8Low52.3Low148 Ų148113.3 Ų113.376%0.75966%0.663SS**  trans-80121.5-178.3-60.2-173.9000109.5L44I42-L44 HydrophobicContact CG2-CD1 3.94Å
43P43Very low52.7Low111 Ų111113.8 Ų113.872%0.72167%0.67SS**  trans-95.3132.913630.4-27.9000109.1N41 S45N41-P43 WeakPolarHBondContact O-CD 3.44Å; P43-S45 PolarHBondContact O-N 3.38Å
44L53.5Low53.4Low150 Ų150117.6 Ų117.679%0.78568%0.679SS**SBendtrans-7334.2-169.7-138.194.4000114.4I42I42-L44 HydrophobicContact CG2-CD1 3.94Å
45S51.8Low54.6Low116 Ų116116.4 Ų116.481%0.81167%0.666SS**SBendtrans-140.181.7-174-57.40000110.7P43P43-S45 PolarHBondContact O-N 3.38Å
46G51.6Low56Low63 Ų63112.3 Ų112.365%0.64965%0.652SS**  trans154.230.6173.400000117.4S48G46-S48 VanDerWaalsContact C-N 3.29Å; G46-S48 PolarHBondContact O-N 3.16Å
47R50.6Low57.7Low214 Ų214107.9 Ų107.981%0.80864%0.636SS**THydrogen-bonded Turntrans-79.130.1-170.7-67.9179.276.6-174.34.9116.1
48S54.8Low59.7Low83 Ų83111.3 Ų111.358%0.5865%0.647SS**THydrogen-bonded Turntrans-82.2-47.7171.567.10000112G46 L50 K51G46-S48 VanDerWaalsContact C-N 3.29Å; G46-S48 PolarHBondContact O-N 3.16Å; S48-L50 PolarHBondContact O-N 2.77Å; S48-K51 PolarHBondContact O-N 2.92Å
49S54.8Low61.6Low79 Ų79111.1 Ų111.155%0.55264%0.635SS**Hα-helixtrans-70.1-26.5-169.2-170.70000115.7E52 A53S49-E52 WeakPolarHBondContact CA-OE2 3.49Å; S49-A53 PolarHBondContact O-N 3.49Å
50L57.6Low63.7Low127 Ų127115.2 Ų115.267%0.66564%0.638SS**Hα-helixtrans-74.8-24.8179.8-70.7167.9000113.6S48 R54S48-L50 PolarHBondContact O-N 2.77Å; L50-R54 PolarHBondContact O-N 3.41Å
51K61.7Low65.2Low134 Ų134115.7 Ų115.758%0.58362%0.622SS**Hα-helixtrans-72.1-42.8175.9-177.3171.1179.5-57.80110.1S48 A53 R54 D55S48-K51 PolarHBondContact O-N 2.92Å; K51-A53 VanDerWaalsContact C-N 3.32Å; K51-A53 PolarHBondContact O-N 3.17Å; K51-R54 PolarHBondContact O-N 3.06Å; K51-D55 IonicContact NZ-OD2 2.77Å; K51-D55 PolarHBondContact NZ-OD2 3.46Å; K51-D55 WeakPolarHBondContact O-CB 3.44Å; K51-D55 PolarHBondContact O-N 3.24Å
52E63.4Low67.1Low110 Ų110111.6 Ų111.651%0.51460%0.6SS.*Hα-helixtrans-60-39176.8-69.1143.1-157.400112.6S49 S56S49-E52 WeakPolarHBondContact CA-OE2 3.49Å; E52-S56 VanDerWaalsContact O-CB 3.29Å; E52-S56 WeakPolarHBondContact O-CB 3.3Å; E52-S56 PolarHBondContact O-N 3.01Å; E52-S56 PolarHBondContact O-OG 3.13Å
53A67.6Low68.9Low61 Ų61107 Ų10750%0.50458%0.584SS.*Hα-helixtrans-67.5-37.9177.700000113.2S49 K51 A57S49-A53 PolarHBondContact O-N 3.49Å; K51-A53 VanDerWaalsContact C-N 3.32Å; K51-A53 PolarHBondContact O-N 3.17Å; A53-A57 PolarHBondContact O-N 3.2Å
54R69.9Low71.4Confident202 Ų202104.4 Ų104.476%0.76257%0.572SS**Hα-helixtrans-70.9-45.9175.6-75.7-166.8177.5-168.9-0.4111.9L50 K51 S56 A57 E58L50-R54 PolarHBondContact O-N 3.41Å; K51-R54 PolarHBondContact O-N 3.06Å; R54-S56 PolarHBondContact O-N 3Å; R54-A57 PolarHBondContact O-N 3.33Å; R54-A57 VanDerWaalsContact O-N 3.13Å; R54-E58 PolarHBondContact O-N 2.95Å
55D77.3Confident73.4Confident71 Ų71101 Ų10138%0.3855%0.552SS.*Hα-helixtrans-60.1-36.6177.3-65.40.3000109.9K51 Q59K51-D55 IonicContact NZ-OD2 2.77Å; K51-D55 PolarHBondContact NZ-OD2 3.46Å; K51-D55 WeakPolarHBondContact O-CB 3.44Å; K51-D55 PolarHBondContact O-N 3.24Å; D55-Q59 WeakPolarHBondContact O-CB 3.33Å; D55-Q59 PolarHBondContact O-N 2.7Å
56S77.9Confident75.6Confident68 Ų6896.6 Ų96.648%0.47652%0.519SS..Hα-helixtrans-65.2-41.7174.8-62.10000113.2E52 R54 Q59 Q60E52-S56 VanDerWaalsContact O-CB 3.29Å; E52-S56 WeakPolarHBondContact O-CB 3.3Å; E52-S56 PolarHBondContact O-N 3.01Å; E52-S56 PolarHBondContact O-OG 3.13Å; R54-S56 PolarHBondContact O-N 3Å; S56-Q59 PolarHBondContact O-N 3.36Å; S56-Q60 WeakPolarHBondContact O-CB 3.45Å; S56-Q60 VanDerWaalsContact O-CG 3.3Å; S56-Q60 WeakPolarHBondContact O-CG 3.47Å; S56-Q60 PolarHBondContact O-N 3.36Å
57A81.9Confident77.8Confident56 Ų5699.9 Ų99.946%0.46352%0.515SS..Hα-helixtrans-67.5-39.5179.100000112A53 R54 Q60 H61A53-A57 PolarHBondContact O-N 3.2Å; R54-A57 PolarHBondContact O-N 3.33Å; R54-A57 VanDerWaalsContact O-N 3.13Å; A57-Q60 PolarHBondContact O-N 2.93Å; A57-H61 PolarHBondContact O-N 2.97Å
58E84.9Confident80Confident121 Ų12192.4 Ų92.457%0.56550%0.499SS*.Hα-helixtrans-63.6-47.6173.5-178.9177.1-161.400111.3R54 Q60 H61 I62R54-E58 PolarHBondContact O-N 2.95Å; E58-Q60 VanDerWaalsContact C-N 3.26Å; E58-Q60 PolarHBondContact O-N 3.22Å; E58-H61 WeakPolarHBondContact O-CB 3.35Å; E58-H61 PolarHBondContact O-N 2.94Å; E58-I62 HydrophobicContact CG-CD1 3.94Å; E58-I62 WeakPolarHBondContact O-CG1 3.29Å; E58-I62 PolarHBondContact O-N 3.49Å
59Q85Confident82.1Confident123 Ų12389.7 Ų89.758%0.57548%0.482SS*.Hα-helixtrans-57.6-40.9177-170.16857.400111.8D55 S56 A63D55-Q59 WeakPolarHBondContact O-CB 3.33Å; D55-Q59 PolarHBondContact O-N 2.7Å; S56-Q59 PolarHBondContact O-N 3.36Å; Q59-A63 VanDerWaalsContact O-CB 3.31Å; Q59-A63 WeakPolarHBondContact O-CB 3.45Å; Q59-A63 PolarHBondContact O-N 3.4Å
60Q87.8Confident84.2Confident143 Ų14387.8 Ų87.867%0.66847%0.465SS*.Hα-helixtrans-64.5-41.1175.4-77.3-175.5-19.300112.5S56 A57 E58 A63 A64S56-Q60 WeakPolarHBondContact O-CB 3.45Å; S56-Q60 VanDerWaalsContact O-CG 3.3Å; S56-Q60 WeakPolarHBondContact O-CG 3.47Å; S56-Q60 PolarHBondContact O-N 3.36Å; A57-Q60 PolarHBondContact O-N 2.93Å; E58-Q60 VanDerWaalsContact C-N 3.26Å; E58-Q60 PolarHBondContact O-N 3.22Å; Q60-A63 PolarHBondContact O-N 3.43Å; Q60-A64 WeakPolarHBondContact O-CB 3.44Å; Q60-A64 PolarHBondContact O-N 3.04Å
61H88.6Confident86.1Confident116 Ų11686.9 Ų86.954%0.53746%0.457SS..Hα-helixtrans-64.1-46.5177.9-174.457.9000111.6A57 E58 A63 A64 Q65A57-H61 PolarHBondContact O-N 2.97Å; E58-H61 WeakPolarHBondContact O-CB 3.35Å; E58-H61 PolarHBondContact O-N 2.94Å; H61-A63 VanDerWaalsContact C-N 3.35Å; H61-A63 PolarHBondContact O-N 3.34Å; H61-A64 PolarHBondContact O-N 3.32Å; H61-Q65 PolarHBondContact CD2-NE2 3.42Å; H61-Q65 PolarHBondContact CE1-NE2 3.43Å; H61-Q65 PolarHBondContact NE2-NE2 3.22Å; H61-Q65 WeakPolarHBondContact O-CG 3.28Å; H61-Q65 PolarHBondContact O-N 3.21Å
62I90.9Very high87.9Confident47 Ų4786.3 Ų86.324%0.24146%0.457CS..Hα-helixtrans-59.6-46.6176.6-68.8170.3000110.4E58 A64 Q65 Q66 D85E58-I62 HydrophobicContact CG-CD1 3.94Å; E58-I62 WeakPolarHBondContact O-CG1 3.29Å; E58-I62 PolarHBondContact O-N 3.49Å; I62-A64 VanDerWaalsContact C-N 3.32Å; I62-A64 PolarHBondContact O-N 2.95Å; I62-Q65 PolarHBondContact O-N 3.45Å; I62-Q66 WeakPolarHBondContact O-CB 3.34Å; I62-Q66 WeakPolarHBondContact O-CG 3.45Å; I62-Q66 PolarHBondContact O-N 2.87Å; I62-D85 HydrophobicContact CG2-CB 4.45Å
63A93.3Very high89.5Confident51 Ų5181.5 Ų81.542%0.42144%0.436SS..Hα-helixtrans-61.5-39.4177.700000112.5Q59 Q60 H61 K67Q59-A63 VanDerWaalsContact O-CB 3.31Å; Q59-A63 WeakPolarHBondContact O-CB 3.45Å; Q59-A63 PolarHBondContact O-N 3.4Å; Q60-A63 PolarHBondContact O-N 3.43Å; H61-A63 VanDerWaalsContact C-N 3.35Å; H61-A63 PolarHBondContact O-N 3.34Å; A63-K67 WeakPolarHBondContact O-CB 3.46Å; A63-K67 PolarHBondContact O-N 3.44Å
64A95.1Very high91Very high57 Ų5784 Ų8447%0.47144%0.436SS..Hα-helixtrans-64.7-43.1176.600000112.1Q60 H61 I62 K67 A68Q60-A64 WeakPolarHBondContact O-CB 3.44Å; Q60-A64 PolarHBondContact O-N 3.04Å; H61-A64 PolarHBondContact O-N 3.32Å; I62-A64 VanDerWaalsContact C-N 3.32Å; I62-A64 PolarHBondContact O-N 2.95Å; A64-K67 PolarHBondContact O-N 3.26Å; A64-A68 PolarHBondContact O-N 3.14Å
65Q95.8Very high92.3Very high78 Ų7879.7 Ų79.736%0.36443%0.433SS..Hα-helixtrans-63.1-47.5176.6-69.9-174.37.100111.9H61 I62 K67 A68 A69 L91H61-Q65 PolarHBondContact CD2-NE2 3.42Å; H61-Q65 PolarHBondContact CE1-NE2 3.43Å; H61-Q65 PolarHBondContact NE2-NE2 3.22Å; H61-Q65 WeakPolarHBondContact O-CG 3.28Å; H61-Q65 PolarHBondContact O-N 3.21Å; I62-Q65 PolarHBondContact O-N 3.45Å; Q65-K67 VanDerWaalsContact C-N 3.31Å; Q65-K67 PolarHBondContact O-N 2.88Å; Q65-A68 PolarHBondContact O-N 2.88Å; Q65-A69 WeakPolarHBondContact O-CB 3.48Å; Q65-A69 PolarHBondContact O-N 2.99Å; Q65-L91 HydrophobicContact CB-CD1 4.06Å
66Q97Very high93.3Very high25 Ų2582.8 Ų82.812%0.11744%0.444CS..Hα-helixtrans-55.8-45.7175.6-78-177.441.800111.6I62 A69 L70 T83 Q84 L91I62-Q66 WeakPolarHBondContact O-CB 3.34Å; I62-Q66 WeakPolarHBondContact O-CG 3.45Å; I62-Q66 PolarHBondContact O-N 2.87Å; Q66-A69 PolarHBondContact O-N 3.44Å; Q66-L70 WeakPolarHBondContact O-CB 3.36Å; Q66-L70 PolarHBondContact O-N 2.87Å; Q66-T83 HydrophobicContact CB-CG2 3.8Å; Q66-T83 PolarHBondContact OE1-OG1 3.25Å; Q66-Q84 WeakPolarHBondContact CG-O 3.27Å; Q66-Q84 PolarHBondContact NE2-O 3.31Å; Q66-L91 HydrophobicContact CG-CD2 4.47Å
67K97.7Very high94.3Very high132 Ų13282 Ų8257%0.57444%0.439SS*.Hα-helixtrans-62.1-46.4177.7-178.1175.3-179.5176.50112.3A63 A64 Q65 L70 Q71A63-K67 WeakPolarHBondContact O-CB 3.46Å; A63-K67 PolarHBondContact O-N 3.44Å; A64-K67 PolarHBondContact O-N 3.26Å; Q65-K67 VanDerWaalsContact C-N 3.31Å; Q65-K67 PolarHBondContact O-N 2.88Å; K67-L70 PolarHBondContact O-N 2.85Å; K67-Q71 WeakPolarHBondContact O-CB 3.44Å; K67-Q71 VanDerWaalsContact O-CG 3.29Å; K67-Q71 WeakPolarHBondContact O-CG 3.48Å; K67-Q71 PolarHBondContact O-N 3.34Å
68A98.1Very high95Very high57 Ų5785.2 Ų85.247%0.47146%0.458SS..Hα-helixtrans-62.4-44.2179.400000111.8A64 Q65 Q71 H72A64-A68 PolarHBondContact O-N 3.14Å; Q65-A68 PolarHBondContact O-N 2.88Å; A68-Q71 PolarHBondContact O-N 2.97Å; A68-H72 WeakPolarHBondContact O-CB 3.41Å; A68-H72 PolarHBondContact O-N 2.99Å
69A97.8Very high95.6Very high26 Ų2681 Ų8122%0.21545%0.447CS..Hα-helixtrans-61.8-45.9177.600000111.9Q65 Q66 H72 A73 L91 I92Q65-A69 WeakPolarHBondContact O-CB 3.48Å; Q65-A69 PolarHBondContact O-N 2.99Å; Q66-A69 PolarHBondContact O-N 3.44Å; A69-H72 PolarHBondContact O-N 3.45Å; A69-A73 PolarHBondContact O-N 3.18Å; A69-L91 HydrophobicContact CB-CB 4.05Å; A69-L91 HydrophobicContact CB-CD1 4.38Å; A69-I92 HydrophobicContact CB-CG2 3.92Å
70L98.3Very high96.3Very high38 Ų3881 Ų8120%0.19945%0.445CS..Hα-helixtrans-64.2-42.4178.7-173.367.2000112.1Q66 K67 A73 H74 F81 T83 I92Q66-L70 WeakPolarHBondContact O-CB 3.36Å; Q66-L70 PolarHBondContact O-N 2.87Å; K67-L70 PolarHBondContact O-N 2.85Å; L70-A73 PolarHBondContact O-N 3.34Å; L70-H74 PolarHBondContact O-N 3.31Å; L70-H74 PolarHBondContact O-ND1 3.36Å; L70-F81 HydrophobicContact CD1-CB 3.51Å; L70-F81 WeakPolarHBondContact CD1-O 3.42Å; L70-T83 HydrophobicContact CB-CG2 3.96Å; L70-T83 HydrophobicContact CD2-CG2 3.93Å; L70-T83 HydrophobicContact CG-CG2 4.4Å; L70-I92 HydrophobicContact CB-CG2 3.99Å; L70-I92 HydrophobicContact CD1-CG2 4.21Å
71Q98.3Very high96.7Very high108 Ų10876.4 Ų76.451%0.50542%0.423SS..Hα-helixtrans-61.3-44.8176-75.6-178.9-9.800112.1K67 A68 A73 H74 V75K67-Q71 WeakPolarHBondContact O-CB 3.44Å; K67-Q71 VanDerWaalsContact O-CG 3.29Å; K67-Q71 WeakPolarHBondContact O-CG 3.48Å; K67-Q71 PolarHBondContact O-N 3.34Å; A68-Q71 PolarHBondContact O-N 2.97Å; Q71-A73 VanDerWaalsContact C-N 3.31Å; Q71-A73 PolarHBondContact O-N 3.49Å; Q71-H74 PolarHBondContact O-N 3.14Å; Q71-V75 WeakPolarHBondContact O-CG2 3.4Å; Q71-V75 PolarHBondContact O-N 3.22Å
72H98.5Very high97.2Very high122 Ų12273.3 Ų73.357%0.56541%0.41SS*.Hα-helixtrans-60.4-42.5176.3-175.8-85.8000111.4A68 A69 H74 V75 H76A68-H72 WeakPolarHBondContact O-CB 3.41Å; A68-H72 PolarHBondContact O-N 2.99Å; A69-H72 PolarHBondContact O-N 3.45Å; H72-H74 PolarHBondContact O-N 3.23Å; H72-V75 PolarHBondContact O-N 3.27Å; H72-H76 AromaticContact CD2-CD2 3.64Å; H72-H76 AromaticContact CD2-NE2 3.93Å; H72-H76 AromaticContact CE1-CD2 3.47Å; H72-H76 PolarHBondContact CE1-CD2 3.44Å; H72-H76 VanDerWaalsContact CE1-CD2 3.47Å; H72-H76 AromaticContact CG-CD2 3.88Å; H72-H76 AromaticContact ND1-CD2 3.77Å; H72-H76 AromaticContact NE2-CD2 3.4Å; H72-H76 PolarHBondContact NE2-CD2 2.89Å; H72-H76 AromaticContact NE2-NE2 3.67Å; H72-H76 PolarHBondContact O-CD2 3.05Å; H72-H76 VanDerWaalsContact O-CD2 3.24Å; H72-H76 PolarHBondContact O-N 2.77Å; H72-H76 VanDerWaalsContact O-N 3.13Å
73A98.2Very high97.5Very high9 Ų973.9 Ų73.97%0.07442%0.416CS..Hα-helixtrans-61.4-42.9176.100000112.6A69 L70 Q71 V75 H76 S77 F81 I92A69-A73 PolarHBondContact O-N 3.18Å; L70-A73 PolarHBondContact O-N 3.34Å; Q71-A73 VanDerWaalsContact C-N 3.31Å; Q71-A73 PolarHBondContact O-N 3.49Å; A73-V75 VanDerWaalsContact C-N 3.27Å; A73-V75 PolarHBondContact O-N 3.31Å; A73-H76 PolarHBondContact O-N 3.35Å; A73-S77 WeakPolarHBondContact O-CA 3.34Å; A73-S77 VanDerWaalsContact O-CB 3.27Å; A73-S77 WeakPolarHBondContact O-CB 3.27Å; A73-S77 PolarHBondContact O-N 2.96Å; A73-F81 HydrophobicContact CB-CD2 3.84Å; A73-F81 HydrophobicContact CB-CE2 4.05Å; A73-F81 HydrophobicContact CB-CG 4.13Å; A73-I92 HydrophobicContact CB-CD1 3.5Å; A73-I92 VanDerWaalsContact CB-CD1 3.5Å
74H98.1Very high97.6Very high113 Ų11374.8 Ų74.852%0.52341%0.411SS..Hα-helixtrans-62.4-30.7176.6-67.4152.1000113.9L70 Q71 H72L70-H74 PolarHBondContact O-N 3.31Å; L70-H74 PolarHBondContact O-ND1 3.36Å; Q71-H74 PolarHBondContact O-N 3.14Å; H72-H74 PolarHBondContact O-N 3.23Å
75V98.5Very high97.4Very high112 Ų11277.9 Ų77.968%0.67942%0.42SS*.Hα-helixtrans-78-34.3178.7174.30000111.6Q71 H72 A73Q71-V75 WeakPolarHBondContact O-CG2 3.4Å; Q71-V75 PolarHBondContact O-N 3.22Å; H72-V75 PolarHBondContact O-N 3.27Å; A73-V75 VanDerWaalsContact C-N 3.27Å; A73-V75 PolarHBondContact O-N 3.31Å
76H98.6Very high97.3Very high136 Ų13675 Ų7563%0.6341%0.409SS*.Hα-helixtrans-110.5-5.6-169.7-65.8-67.9000114.7H72 A73H72-H76 AromaticContact CD2-CD2 3.64Å; H72-H76 AromaticContact CD2-NE2 3.93Å; H72-H76 AromaticContact CE1-CD2 3.47Å; H72-H76 PolarHBondContact CE1-CD2 3.44Å; H72-H76 VanDerWaalsContact CE1-CD2 3.47Å; H72-H76 AromaticContact CG-CD2 3.88Å; H72-H76 AromaticContact ND1-CD2 3.77Å; H72-H76 AromaticContact NE2-CD2 3.4Å; H72-H76 PolarHBondContact NE2-CD2 2.89Å; H72-H76 AromaticContact NE2-NE2 3.67Å; H72-H76 PolarHBondContact O-CD2 3.05Å; H72-H76 VanDerWaalsContact O-CD2 3.24Å; H72-H76 PolarHBondContact O-N 2.77Å; H72-H76 VanDerWaalsContact O-N 3.13Å; A73-H76 PolarHBondContact O-N 3.35Å
77S97.9Very high97.1Very high53 Ų5379.3 Ų79.337%0.37144%0.441SS..  trans-141.2144.9-177.5-171.30000111.1A73 G79A73-S77 WeakPolarHBondContact O-CA 3.34Å; A73-S77 VanDerWaalsContact O-CB 3.27Å; A73-S77 WeakPolarHBondContact O-CB 3.27Å; A73-S77 PolarHBondContact O-N 2.96Å; S77-G79 VanDerWaalsContact C-N 3.32Å; S77-G79 PolarHBondContact OG-N 3.37Å
78S97.4Very high97.1Very high123 Ų12381.9 Ų81.986%0.8645%0.453SS*.  trans-90.75.9171.561.20000113.1
79G97.8Very high96.9Very high31 Ų3182.2 Ų82.232%0.3246%0.462SS..SBendtrans-74.4161.917800000112.9S77 F81S77-G79 VanDerWaalsContact C-N 3.32Å; S77-G79 PolarHBondContact OG-N 3.37Å; G79-F81 VanDerWaalsContact O-CD2 3.25Å; G79-F81 WeakPolarHBondContact O-CD2 3.26Å; G79-F81 WeakPolarHBondContact O-CE2 3.23Å
80F98Very high96.9Very high124 Ų12485 Ų8554%0.54447%0.473SS..  trans-93.6125.3172.7-68.5-95.4000109.3P94 V95 P97F80-P94 WeakPolarHBondContact O-CA 3.37Å; F80-V95 WeakPolarHBondContact CB-O 3.11Å; F80-V95 PolarHBondContact O-N 2.84Å; F80-P97 HydrophobicContact CD1-CB 4.07Å; F80-P97 HydrophobicContact CD1-CG 4.06Å; F80-P97 HydrophobicContact CD2-CG 3.62Å; F80-P97 HydrophobicContact CE1-CB 3.99Å; F80-P97 HydrophobicContact CE1-CG 3.98Å; F80-P97 HydrophobicContact CE2-CB 4.44Å; F80-P97 HydrophobicContact CE2-CG 3.55Å; F80-P97 HydrophobicContact CG-CB 4.33Å; F80-P97 HydrophobicContact CG-CG 3.88Å; F80-P97 HydrophobicContact CZ-CB 4.18Å; F80-P97 HydrophobicContact CZ-CG 3.73Å
81F97.9Very high96.8Very high46 Ų4685.1 Ų85.120%0.20247%0.474CS..EExtended strand (participates in β ladder)trans-127146.9-176-63.3-87.4000110.9L70 A73 G79 I92 L93 P94L70-F81 HydrophobicContact CD1-CB 3.51Å; L70-F81 WeakPolarHBondContact CD1-O 3.42Å; A73-F81 HydrophobicContact CB-CD2 3.84Å; A73-F81 HydrophobicContact CB-CE2 4.05Å; A73-F81 HydrophobicContact CB-CG 4.13Å; G79-F81 VanDerWaalsContact O-CD2 3.25Å; G79-F81 WeakPolarHBondContact O-CD2 3.26Å; G79-F81 WeakPolarHBondContact O-CE2 3.23Å; F81-I92 HydrophobicContact CD1-CD1 3.95Å; F81-I92 HydrophobicContact CD1-CG1 4.35Å; F81-I92 HydrophobicContact CE1-CD1 4.42Å; F81-I92 HydrophobicContact CG-CD1 4.33Å; F81-L93 WeakPolarHBondContact CA-O 2.97Å; F81-P94 HydrophobicContact CD1-CB 4.22Å; F81-P94 HydrophobicContact CE1-CB 3.94Å
82I97.3Very high96.8Very high52 Ų5281.9 Ų81.927%0.26746%0.459SS..EExtended strand (participates in β ladder)trans-122.4157.2167.857.6169.6000109.3I92 L93 V95I82-I92 CarbonylContact O-C 3.51Å; I82-I92 WeakPolarHBondContact O-CA 3.3Å; I82-I92 WeakPolarHBondContact O-CB 3.07Å; I82-L93 HydrophobicContact CG1-CB 4.3Å; I82-L93 PolarHBondContact N-O 3.03Å; I82-L93 VanDerWaalsContact N-O 3.08Å; I82-L93 PolarHBondContact O-N 3.07Å; I82-V95 HydrophobicContact CD1-CG1 3.77Å; I82-V95 HydrophobicContact CG1-CG1 3.79Å; I82-V95 HydrophobicContact CG1-CG2 4.23Å; I82-V95 HydrophobicContact CG2-CG2 3.85Å
83T97.7Very high96.8Very high58 Ų5879 Ų7936%0.35645%0.448SS..EExtended strand (participates in β ladder)trans-82.3156.3174.365.20000111.8Q66 L70 L91 I92Q66-T83 HydrophobicContact CB-CG2 3.8Å; Q66-T83 PolarHBondContact OE1-OG1 3.25Å; L70-T83 HydrophobicContact CB-CG2 3.96Å; L70-T83 HydrophobicContact CD2-CG2 3.93Å; L70-T83 HydrophobicContact CG-CG2 4.4Å; T83-L91 WeakPolarHBondContact CA-O 3.45Å; T83-I92 HydrophobicContact CG2-CG2 4.41Å
84Q95.7Very high96.8Very high70 Ų7083 Ų8333%0.32747%0.474SS..  trans-142.7145.5174-165.4-170.30.300109.7Q66 S86 N90 L91Q66-Q84 WeakPolarHBondContact CG-O 3.27Å; Q66-Q84 PolarHBondContact NE2-O 3.31Å; Q84-S86 PolarHBondContact O-N 3.45Å; Q84-N90 WeakPolarHBondContact CB-O 3.46Å; Q84-N90 PolarHBondContact OE1-O 3.47Å; Q84-L91 PolarHBondContact N-O 3.39Å
85D91.6Very high96.8Very high123 Ų12380.1 Ų80.166%0.65846%0.463SS*.  trans-80.157.7172.360.2-21.6000111.9I62I62-D85 HydrophobicContact CG2-CB 4.45Å
86S94Very high96.7Very high18 Ų1882 Ų8213%0.12647%0.469CS..  trans-92.8125.3179.8-171.40000113Q84 F88 N90Q84-S86 PolarHBondContact O-N 3.45Å; S86-F88 PolarHBondContact O-N 2.95Å; S86-F88 PolarHBondContact OG-N 2.93Å; S86-N90 VanDerWaalsContact CB-O 3.26Å; S86-N90 WeakPolarHBondContact CB-O 3.3Å
87S92.8Very high96.6Very high114 Ų11478.6 Ų78.680%0.79746%0.459SS*.THydrogen-bonded Turntrans-79.7-0.3170.7-52.20000114.2
88F96Very high96.2Very high186 Ų18684.6 Ų84.682%0.81647%0.473SS*.THydrogen-bonded Turntrans-114.122.5-174.8-58.2-76.5000113S86S86-F88 PolarHBondContact O-N 2.95Å; S86-F88 PolarHBondContact OG-N 2.93Å
89G95.1Very high95.9Very high65 Ų6586.4 Ų86.467%0.6747%0.473SS*.SBendtrans85.82.4175.600000115.3L91G89-L91 PolarHBondContact O-N 3Å; G89-L91 VanDerWaalsContact O-N 3.14Å
90N97.2Very high95.4Very high85 Ų8592.5 Ų92.546%0.45549%0.493SS..  trans-88.353.9173.7-58.2-50.1000111.1Q84 S86 I92 L93Q84-N90 WeakPolarHBondContact CB-O 3.46Å; Q84-N90 PolarHBondContact OE1-O 3.47Å; S86-N90 VanDerWaalsContact CB-O 3.26Å; S86-N90 WeakPolarHBondContact CB-O 3.3Å; N90-I92 PolarHBondContact O-N 3.42Å; N90-L93 HydrophobicContact CB-CD2 4.25Å
91L97.3Very high94.6Very high39 Ų3992.1 Ų92.120%0.20450%0.503CS..SBendtrans-64.6-22.8-177.3-66176.2000113Q65 Q66 A69 T83 Q84 G89Q65-L91 HydrophobicContact CB-CD1 4.06Å; Q66-L91 HydrophobicContact CG-CD2 4.47Å; A69-L91 HydrophobicContact CB-CB 4.05Å; A69-L91 HydrophobicContact CB-CD1 4.38Å; T83-L91 WeakPolarHBondContact CA-O 3.45Å; Q84-L91 PolarHBondContact N-O 3.39Å; G89-L91 PolarHBondContact O-N 3Å; G89-L91 VanDerWaalsContact O-N 3.14Å
92I98.3Very high93.2Very high40 Ų40101.3 Ų101.321%0.20555%0.554CS.*EExtended strand (participates in β ladder)trans-134.9149.2172.559.7174.6000110.4A69 L70 A73 F81 I82 T83 N90A69-I92 HydrophobicContact CB-CG2 3.92Å; L70-I92 HydrophobicContact CB-CG2 3.99Å; L70-I92 HydrophobicContact CD1-CG2 4.21Å; A73-I92 HydrophobicContact CB-CD1 3.5Å; A73-I92 VanDerWaalsContact CB-CD1 3.5Å; F81-I92 HydrophobicContact CD1-CD1 3.95Å; F81-I92 HydrophobicContact CD1-CG1 4.35Å; F81-I92 HydrophobicContact CE1-CD1 4.42Å; F81-I92 HydrophobicContact CG-CD1 4.33Å; I82-I92 CarbonylContact O-C 3.51Å; I82-I92 WeakPolarHBondContact O-CA 3.3Å; I82-I92 WeakPolarHBondContact O-CB 3.07Å; T83-I92 HydrophobicContact CG2-CG2 4.41Å; N90-I92 PolarHBondContact O-N 3.42Å
93L97.9Very high93Very high61 Ų61103.8 Ų103.832%0.31957%0.569SS.*EExtended strand (participates in β ladder)trans-124.1134.5175.9-68.3179.6000110.9F81 I82 N90F81-L93 WeakPolarHBondContact CA-O 2.97Å; I82-L93 HydrophobicContact CG1-CB 4.3Å; I82-L93 PolarHBondContact N-O 3.03Å; I82-L93 VanDerWaalsContact N-O 3.08Å; I82-L93 PolarHBondContact O-N 3.07Å; N90-L93 HydrophobicContact CB-CD2 4.25Å
94P97.8Very high92.8Very high95 Ų95106.2 Ų106.262%0.61758%0.58SS**EExtended strand (participates in β ladder)trans-69.5133.7169.329.9-32.8000109.8F80 F81F80-P94 WeakPolarHBondContact O-CA 3.37Å; F81-P94 HydrophobicContact CD1-CB 4.22Å; F81-P94 HydrophobicContact CE1-CB 3.94Å
95V97.8Very high92.6Very high51 Ų51108.2 Ų108.231%0.30959%0.594SS.*  trans-139.2169.4-178.4-65.70000111.1F80 I82F80-V95 WeakPolarHBondContact CB-O 3.11Å; F80-V95 PolarHBondContact O-N 2.84Å; I82-V95 HydrophobicContact CD1-CG1 3.77Å; I82-V95 HydrophobicContact CG1-CG1 3.79Å; I82-V95 HydrophobicContact CG1-CG2 4.23Å; I82-V95 HydrophobicContact CG2-CG2 3.85Å
96L97.3Very high92.7Very high151 Ų151107.4 Ų107.479%0.79159%0.59SS**PPolyproline II helixtrans-72.8150.6165.9-62.5177.6000110.2R98L96-R98 PolarHBondContact O-N 3.5Å
97P95.4Very high92.6Very high65 Ų65112.9 Ų112.942%0.42262%0.619SS.*PPolyproline II helixtrans-53.5134.3174.1-21.930.1000111.5F80F80-P97 HydrophobicContact CD1-CB 4.07Å; F80-P97 HydrophobicContact CD1-CG 4.06Å; F80-P97 HydrophobicContact CD2-CG 3.62Å; F80-P97 HydrophobicContact CE1-CB 3.99Å; F80-P97 HydrophobicContact CE1-CG 3.98Å; F80-P97 HydrophobicContact CE2-CB 4.44Å; F80-P97 HydrophobicContact CE2-CG 3.55Å; F80-P97 HydrophobicContact CG-CB 4.33Å; F80-P97 HydrophobicContact CG-CG 3.88Å; F80-P97 HydrophobicContact CZ-CB 4.18Å; F80-P97 HydrophobicContact CZ-CG 3.73Å
98R91Very high92.6Very high179 Ų179112.9 Ų112.968%0.67561%0.607SS**PPolyproline II helixtrans-89.5127169.7-62.5-176.9-177.3-167.20.7108.2L96L96-R98 PolarHBondContact O-N 3.5Å
99L90.8Very high92.4Very high162 Ų162107.6 Ų107.685%0.84859%0.592SS**PPolyproline II helixtrans-99.4121.8171.6-56.4176.8000106.6
100E85.9Confident92.2Very high158 Ų158110.9 Ų110.974%0.73859%0.586SS**PPolyproline II helixtrans-70.8136.2171-64.1-60.3132.800108.2D102E100-D102 PolarHBondContact O-N 2.85Å
101P81.6Confident91.7Very high116 Ų116113.1 Ų113.175%0.75360%0.597SS**PPolyproline II helixtrans-65.9132.7172.227.3-31.3000109.5
102D69.9Low91.2Very high240 Ų240119.8 Ų119.8100%1.28363%0.633SS**  trans-64.50174.8-66.3-51.1000112.8E100E100-D102 PolarHBondContact O-N 2.85Å

Retrieved 102 of 102 residues in 55.6 ms (Link to these results)