A0A061HU34_CRIGR Loading...

Large ribosomal subunit protein eL28

AlphaFold DB (P41105), UniProt , Accession A0A061HU34, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rpl28, Length 137 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M81.9Confident95.3Very high159 Ų15984.4 Ų84.478%0.78343%0.429SS*.  0119.50-151.267.1164.800109.5L5 Q6M1-L5 HydrophobicContact CE-CD2 3.5Å; M1-L5 VanDerWaalsContact CE-CD2 3.5Å; M1-L5 HydrophobicContact CE-CG 3.6Å; M1-L5 HydrophobicContact CG-CD2 4.49Å; M1-L5 HydrophobicContact SD-CD2 3.42Å; M1-L5 WeakPolarHBondContact SD-CD2 3.19Å; M1-L5 HydrophobicContact SD-CG 4.07Å; M1-Q6 HydrophobicContact CB-CG 4.39Å; M1-Q6 HydrophobicContact CG-CG 3.51Å
2S93.9Very high95.4Very high67 Ų6786 Ų8647%0.46944%0.44SS..  trans-83.2158.9179.168.70000111.2H4 L5 Q6S2-H4 VanDerWaalsContact C-N 3.32Å; S2-H4 PolarHBondContact O-N 3.36Å; S2-L5 PolarHBondContact O-N 2.97Å; S2-L5 VanDerWaalsContact OG-CB 3.27Å; S2-L5 WeakPolarHBondContact OG-CB 3.37Å; S2-L5 PolarHBondContact OG-N 3.2Å; S2-Q6 WeakPolarHBondContact O-CG 3.27Å; S2-Q6 PolarHBondContact O-N 2.86Å; S2-Q6 VanDerWaalsContact O-N 3.12Å
3A96.2Very high95.5Very high24 Ų2486.8 Ų86.820%0.19846%0.456CS..Hα-helixtrans-63.7-38177.400000111.9Q6 W7 F38A3-Q6 PolarHBondContact O-N 2.85Å; A3-W7 VanDerWaalsContact O-CB 3.3Å; A3-W7 WeakPolarHBondContact O-CB 3.42Å; A3-W7 PolarHBondContact O-N 2.84Å; A3-F38 HydrophobicContact CB-CE2 4.02Å; A3-F38 HydrophobicContact CB-CZ 4.06Å
4H97.6Very high95.6Very high123 Ų12382.6 Ų82.657%0.56944%0.437SS*.Hα-helixtrans-64.9-42.8177.7-76.6-85.8000112.3S2 W7 M8 F38S2-H4 VanDerWaalsContact C-N 3.32Å; S2-H4 PolarHBondContact O-N 3.36Å; H4-W7 WeakPolarHBondContact O-CB 3.27Å; H4-W7 PolarHBondContact O-N 3.23Å; H4-M8 WeakPolarHBondContact O-CG 3.46Å; H4-M8 PolarHBondContact O-N 3.04Å; H4-F38 AromaticContact CD2-CZ 3.83Å; H4-F38 AromaticContact CE1-CE1 3.84Å; H4-F38 AromaticContact CE1-CZ 3.65Å; H4-F38 AromaticContact ND1-CZ 3.97Å; H4-F38 AromaticContact NE2-CE1 3.87Å; H4-F38 AromaticContact NE2-CZ 3.52Å
5L97.4Very high95.8Very high87 Ų8784.6 Ų84.646%0.45546%0.461SS..Hα-helixtrans-64.1-46.4177.5-178.357.3000111.1M1 S2 W7 M8 V9M1-L5 HydrophobicContact CE-CD2 3.5Å; M1-L5 VanDerWaalsContact CE-CD2 3.5Å; M1-L5 HydrophobicContact CE-CG 3.6Å; M1-L5 HydrophobicContact CG-CD2 4.49Å; M1-L5 HydrophobicContact SD-CD2 3.42Å; M1-L5 WeakPolarHBondContact SD-CD2 3.19Å; M1-L5 HydrophobicContact SD-CG 4.07Å; S2-L5 PolarHBondContact O-N 2.97Å; S2-L5 VanDerWaalsContact OG-CB 3.27Å; S2-L5 WeakPolarHBondContact OG-CB 3.37Å; S2-L5 PolarHBondContact OG-N 3.2Å; L5-W7 VanDerWaalsContact C-N 3.3Å; L5-W7 PolarHBondContact O-N 2.96Å; L5-M8 PolarHBondContact O-N 3.08Å; L5-V9 PolarHBondContact O-N 3.45Å
6Q96.9Very high95.9Very high60 Ų6083.4 Ų83.428%0.2845%0.45SS..Hα-helixtrans-61.2-39.8175.2-68.2179.7-0.800112M1 S2 A3 V9 V10 I44M1-Q6 HydrophobicContact CB-CG 4.39Å; M1-Q6 HydrophobicContact CG-CG 3.51Å; S2-Q6 WeakPolarHBondContact O-CG 3.27Å; S2-Q6 PolarHBondContact O-N 2.86Å; S2-Q6 VanDerWaalsContact O-N 3.12Å; A3-Q6 PolarHBondContact O-N 2.85Å; Q6-V9 WeakPolarHBondContact O-CB 3.49Å; Q6-V9 PolarHBondContact O-N 3.32Å; Q6-V10 WeakPolarHBondContact O-CG2 3.45Å; Q6-V10 PolarHBondContact O-N 3.24Å; Q6-I44 HydrophobicContact CB-CB 4.14Å; Q6-I44 HydrophobicContact CB-CG2 3.77Å; Q6-I44 VanDerWaalsContact OE1-CA 3.28Å; Q6-I44 PolarHBondContact OE1-O 2.92Å
7W97.9Very high96Very high40 Ų4080.2 Ų80.215%0.15243%0.433CS..Hα-helixtrans-61.3-42.6176.3178.1-113.6000112.9A3 H4 L5 V9 V10 R11 N36 S37 F38 I44A3-W7 VanDerWaalsContact O-CB 3.3Å; A3-W7 WeakPolarHBondContact O-CB 3.42Å; A3-W7 PolarHBondContact O-N 2.84Å; H4-W7 WeakPolarHBondContact O-CB 3.27Å; H4-W7 PolarHBondContact O-N 3.23Å; L5-W7 VanDerWaalsContact C-N 3.3Å; L5-W7 PolarHBondContact O-N 2.96Å; W7-V9 PolarHBondContact O-N 3.25Å; W7-V10 HydrophobicContact CE3-CG2 4.07Å; W7-V10 PolarHBondContact O-N 2.73Å; W7-R11 HydrophobicContact CD2-CB 4.15Å; W7-R11 HydrophobicContact CE3-CB 4.46Å; W7-R11 HydrophobicContact CH2-CB 4.27Å; W7-R11 HydrophobicContact CZ2-CB 3.94Å; W7-R11 WeakPolarHBondContact O-CB 3.4Å; W7-R11 WeakPolarHBondContact O-CG 3.43Å; W7-R11 PolarHBondContact O-N 3.03Å; W7-N36 WeakPolarHBondContact CH2-OD1 3.32Å; W7-N36 WeakPolarHBondContact CZ3-OD1 3.49Å; W7-S37 VanDerWaalsContact CH2-C 3.48Å; W7-F38 HydrophobicContact CB-CD2 3.62Å; W7-F38 HydrophobicContact CB-CE2 3.96Å; W7-F38 AromaticContact CD1-CD2 3.88Å; W7-F38 HydrophobicContact CD2-CB 4.04Å; W7-F38 AromaticContact CD2-CD2 3.97Å; W7-F38 HydrophobicContact CD2-CD2 3.97Å; W7-F38 HydrophobicContact CG-CB 4.28Å; W7-F38 AromaticContact CG-CD2 3.51Å; W7-F38 HydrophobicContact CG-CD2 3.51Å; W7-F38 HydrophobicContact CG-CE2 4.31Å; W7-F38 HydrophobicContact CG-CG 4.35Å; W7-F38 HydrophobicContact CZ2-CB 4.29Å; W7-I44 HydrophobicContact CB-CD1 3.9Å; W7-I44 HydrophobicContact CD2-CD1 4.45Å; W7-I44 HydrophobicContact CE3-CD1 4.01Å; W7-I44 HydrophobicContact CG-CD1 4.45Å
8M97.5Very high96.1Very high115 Ų11578.3 Ų78.357%0.56742%0.421SS*.Hα-helixtrans-61.1-32.1177.2-73.9-59.8-68.300112.3H4 L5H4-M8 WeakPolarHBondContact O-CG 3.46Å; H4-M8 PolarHBondContact O-N 3.04Å; L5-M8 PolarHBondContact O-N 3.08Å
9V96.6Very high96.2Very high86 Ų8680.8 Ų80.852%0.52143%0.428SS..Hα-helixtrans-71.2-58.8170.9-179.90000110.5L5 Q6 W7 R11 C13L5-V9 PolarHBondContact O-N 3.45Å; Q6-V9 WeakPolarHBondContact O-CB 3.49Å; Q6-V9 PolarHBondContact O-N 3.32Å; W7-V9 PolarHBondContact O-N 3.25Å; V9-R11 PolarHBondContact O-N 2.99Å; V9-C13 PolarHBondContact O-SG 2.9Å
10V96.8Very high96.2Very high42 Ų4284.3 Ų84.326%0.25544%0.435SS..Hα-helixtrans-79.6-15.7-166.2-560000115.4Q6 W7 N12 S14 I44Q6-V10 WeakPolarHBondContact O-CG2 3.45Å; Q6-V10 PolarHBondContact O-N 3.24Å; W7-V10 HydrophobicContact CE3-CG2 4.07Å; W7-V10 PolarHBondContact O-N 2.73Å; V10-N12 PolarHBondContact O-N 2.78Å; V10-S14 WeakPolarHBondContact O-CB 3.13Å; V10-S14 PolarHBondContact O-N 2.86Å; V10-I44 HydrophobicContact CG2-CG2 4.07Å
11R95.7Very high96.2Very high125 Ų12587 Ų8747%0.47245%0.45SS..THydrogen-bonded Turntrans-54.8-27.8-17057.9-179.4-85.7-172.8-6.8115W7 V9 N36W7-R11 HydrophobicContact CD2-CB 4.15Å; W7-R11 HydrophobicContact CE3-CB 4.46Å; W7-R11 HydrophobicContact CH2-CB 4.27Å; W7-R11 HydrophobicContact CZ2-CB 3.94Å; W7-R11 WeakPolarHBondContact O-CB 3.4Å; W7-R11 WeakPolarHBondContact O-CG 3.43Å; W7-R11 PolarHBondContact O-N 3.03Å; V9-R11 PolarHBondContact O-N 2.99Å; R11-N36 PolarHBondContact O-ND2 3.02Å
12N96.5Very high96.9Very high104 Ų10490.3 Ų90.356%0.55646%0.46SS*.THydrogen-bonded Turntrans-131.8-2.8-173.3-157.738.7000115.1V10 K19V10-N12 PolarHBondContact O-N 2.78Å; N12-K19 PolarHBondContact OD1-NZ 3.35Å
13C96.6Very high97.1Very high97 Ų9791.9 Ų91.966%0.65546%0.46SS*.THydrogen-bonded Turntrans-133.712.3-176.5660000114V9V9-C13 PolarHBondContact O-SG 2.9Å
14S97.4Very high97.2Very high27 Ų2793.8 Ų93.819%0.18947%0.469CS..  trans-67.6140175.81790000111.8V10 F16 L17V10-S14 WeakPolarHBondContact O-CB 3.13Å; V10-S14 PolarHBondContact O-N 2.86Å; S14-F16 PolarHBondContact O-N 3.21Å; S14-F16 PolarHBondContact OG-N 3.32Å; S14-L17 WeakPolarHBondContact O-CB 3.31Å; S14-L17 PolarHBondContact O-N 3.17Å
15S97.8Very high97.2Very high113 Ų11392.2 Ų92.279%0.7946%0.459SS*.THydrogen-bonded Turntrans-63.9-21.7171.656.40000113.4L17S15-L17 VanDerWaalsContact C-N 3.28Å
16F98Very high97.2Very high66 Ų6688.2 Ų88.229%0.28944%0.438SS..THydrogen-bonded Turntrans-80.3-9.2174.8-59.7-72.7000113.2S14 S26 T27 E28 L43S14-F16 PolarHBondContact O-N 3.21Å; S14-F16 PolarHBondContact OG-N 3.32Å; F16-S26 WeakPolarHBondContact O-CA 3.39Å; F16-T27 WeakPolarHBondContact CA-OG1 3.24Å; F16-T27 PolarHBondContact O-N 2.98Å; F16-T27 PolarHBondContact O-OG1 2.87Å; F16-E28 HydrophobicContact CB-CB 4.09Å; F16-E28 HydrophobicContact CD1-CB 3.96Å; F16-E28 HydrophobicContact CD2-CB 3.87Å; F16-E28 HydrophobicContact CE1-CB 4.36Å; F16-E28 HydrophobicContact CE2-CB 4.28Å; F16-E28 HydrophobicContact CG-CB 3.7Å; F16-L43 HydrophobicContact CD2-CD1 3.96Å; F16-L43 HydrophobicContact CE2-CD1 3.7Å
17L98Very high97.2Very high29 Ų2989.3 Ų89.315%0.15245%0.449CS..EExtended strand (participates in β ladder)trans-76.3126.8-175.7-176.260.2000110.6S14 S15 K19 T24 N36S14-L17 WeakPolarHBondContact O-CB 3.31Å; S14-L17 PolarHBondContact O-N 3.17Å; S15-L17 VanDerWaalsContact C-N 3.28Å; L17-K19 HydrophobicContact CG-CG 4.46Å; L17-T24 HydrophobicContact CD1-CG2 3.48Å; L17-T24 VanDerWaalsContact CD1-CG2 3.48Å; L17-N36 HydrophobicContact CD1-CB 3.83Å; L17-N36 VanDerWaalsContact CD1-ND2 3.3Å; L17-N36 WeakPolarHBondContact CD1-ND2 3.5Å
18I97.9Very high97.2Very high45 Ų4587.8 Ų87.823%0.23144%0.444CS..EExtended strand (participates in β ladder)trans-123.1122.9174.4-61.2-177.2000108.8R20 Y25 T27I18-R20 HydrophobicContact CG2-CG 4.34Å; I18-Y25 PolarHBondContact N-O 3.31Å; I18-Y25 PolarHBondContact O-N 3.06Å; I18-T27 HydrophobicContact CD1-CG2 3.4Å; I18-T27 HydrophobicContact CG1-CG2 4.16Å
19K97.4Very high97.1Very high126 Ų12685.5 Ų85.555%0.54844%0.437SS..EExtended strand (participates in β ladder)trans-114119.8172.1-63.7179.6-174.6176.60108.9N12 L17 T24N12-K19 PolarHBondContact OD1-NZ 3.35Å; L17-K19 HydrophobicContact CG-CG 4.46Å; K19-T24 HydrophobicContact CG-CG2 4.12Å
20R96.8Very high97Very high150 Ų15082.1 Ų82.157%0.56642%0.417SS*.EExtended strand (participates in β ladder)trans-154.9147.9176.464.5-179.775.91783.2109.9I18 K22 Q23I18-R20 HydrophobicContact CG2-CG 4.34Å; R20-K22 VanDerWaalsContact C-N 3.32Å; R20-K22 PolarHBondContact O-N 3.39Å; R20-Q23 PolarHBondContact N-O 3.27Å; R20-Q23 VanDerWaalsContact N-O 3.12Å; R20-Q23 WeakPolarHBondContact O-CA 3.21Å; R20-Q23 PolarHBondContact O-N 2.77Å; R20-Q23 VanDerWaalsContact O-O 3.07Å
21N96.5Very high97.1Very high142 Ų14280.3 Ų80.376%0.75941%0.405SS*.THydrogen-bonded Turntrans5046.1171.8-56-2.4000114Q23N21-Q23 PolarHBondContact O-N 3.36Å; N21-Q23 VanDerWaalsContact O-N 3.09Å
22K96.5Very high97.2Very high228 Ų22874.7 Ų74.799%0.99139%0.385SS*.THydrogen-bonded Turntrans57.919.2-177.1-57.1171.5-179.2175.60114.4R20R20-K22 VanDerWaalsContact C-N 3.32Å; R20-K22 PolarHBondContact O-N 3.39Å
23Q97Very high97.2Very high101 Ų10174.3 Ų74.347%0.47238%0.378SS..EExtended strand (participates in β ladder)trans-122.9152.7178.8-65.2171.910.900110.5R20 N21 Y25R20-Q23 PolarHBondContact N-O 3.27Å; R20-Q23 VanDerWaalsContact N-O 3.12Å; R20-Q23 WeakPolarHBondContact O-CA 3.21Å; R20-Q23 PolarHBondContact O-N 2.77Å; R20-Q23 VanDerWaalsContact O-O 3.07Å; N21-Q23 PolarHBondContact O-N 3.36Å; N21-Q23 VanDerWaalsContact O-N 3.09Å; Q23-Y25 HydrophobicContact CB-CD2 4.39Å; Q23-Y25 HydrophobicContact CB-CE2 3.62Å; Q23-Y25 PolarHBondContact OE1-OH 3.07Å
24T97.6Very high97.3Very high63 Ų6371.5 Ų71.539%0.38736%0.362SS..EExtended strand (participates in β ladder)trans-127.5122.3-178.8-51.50000110.8L17 K19 N36L17-T24 HydrophobicContact CD1-CG2 3.48Å; L17-T24 VanDerWaalsContact CD1-CG2 3.48Å; K19-T24 HydrophobicContact CG-CG2 4.12Å; T24-N36 HydrophobicContact CG2-CB 3.64Å
25Y97.8Very high97.3Very high91 Ų9177.2 Ų77.236%0.35738%0.379SS..EExtended strand (participates in β ladder)trans-119.4164.6-176.5-65-78000110.9I18 Q23 A34I18-Y25 PolarHBondContact N-O 3.31Å; I18-Y25 PolarHBondContact O-N 3.06Å; Q23-Y25 HydrophobicContact CB-CD2 4.39Å; Q23-Y25 HydrophobicContact CB-CE2 3.62Å; Q23-Y25 PolarHBondContact OE1-OH 3.07Å; Y25-A34 WeakPolarHBondContact CA-O 3.48Å; Y25-A34 WeakPolarHBondContact CD1-O 3.32Å
26S98Very high97.3Very high2 Ų273.6 Ų73.61%0.01435%0.351CS..EExtended strand (participates in β ladder)trans-142.8127.3174.9-154.30000109.2F16 E28 A34F16-S26 WeakPolarHBondContact O-CA 3.39Å; S26-E28 WeakPolarHBondContact CB-OE2 3.39Å; S26-E28 PolarHBondContact OG-OE2 3.35Å; S26-A34 PolarHBondContact N-O 3.24Å; S26-A34 CarbonylContact O-C 3.52Å; S26-A34 WeakPolarHBondContact O-CA 3.4Å
27T97.6Very high97.2Very high84 Ų8472.2 Ų72.252%0.51535%0.35SS..  trans-100.411.5-170.555.90000114.2F16 I18F16-T27 WeakPolarHBondContact CA-OG1 3.24Å; F16-T27 PolarHBondContact O-N 2.98Å; F16-T27 PolarHBondContact O-OG1 2.87Å; I18-T27 HydrophobicContact CD1-CG2 3.4Å; I18-T27 HydrophobicContact CG1-CG2 4.16Å
28E96.7Very high97.2Very high8 Ų873.4 Ų73.44%0.03735%0.354CS..  trans-66.2148.3-179.676.3-79.4-166.300112.2F16 S26 N31 N41 L43F16-E28 HydrophobicContact CB-CB 4.09Å; F16-E28 HydrophobicContact CD1-CB 3.96Å; F16-E28 HydrophobicContact CD2-CB 3.87Å; F16-E28 HydrophobicContact CE1-CB 4.36Å; F16-E28 HydrophobicContact CE2-CB 4.28Å; F16-E28 HydrophobicContact CG-CB 3.7Å; S26-E28 WeakPolarHBondContact CB-OE2 3.39Å; S26-E28 PolarHBondContact OG-OE2 3.35Å; E28-N31 HydrophobicContact CG-CB 4.08Å; E28-N31 PolarHBondContact O-N 3.39Å; E28-N31 WeakPolarHBondContact OE1-CB 3.36Å; E28-N31 PolarHBondContact OE1-ND2 2.89Å; E28-N41 WeakPolarHBondContact OE1-CA 3.45Å; E28-L43 HydrophobicContact CB-CD1 3.94Å; E28-L43 HydrophobicContact CB-CG 4.17Å; E28-L43 HydrophobicContact CG-CD1 4.31Å; E28-L43 HydrophobicContact CG-CG 4.14Å
29P95.2Very high97.2Very high66 Ų6676.6 Ų76.643%0.42936%0.363SS..THydrogen-bonded Turntrans-59.8154.1170.526.6-35.1000110.7N31P29-N31 PolarHBondContact O-N 3.1Å
30N96.3Very high97.2Very high16 Ų1672 Ų729%0.08634%0.342CS..THydrogen-bonded Turntrans63.814.5-176.6-51-60.1000116G50 V63 Y77N30-G50 WeakPolarHBondContact OD1-CA 3.39Å; N30-V63 WeakPolarHBondContact OD1-CB 3.44Å; N30-V63 WeakPolarHBondContact OD1-CG1 3.4Å; N30-Y77 WeakPolarHBondContact ND2-CE1 3.38Å
31N97.8Very high97.3Very high3 Ų365.1 Ų65.12%0.01632%0.317CS..  trans-89.4104.4167.4-169.4-32.1000111.5E28 P29 K33 A34 R35 Y40 R113E28-N31 HydrophobicContact CG-CB 4.08Å; E28-N31 PolarHBondContact O-N 3.39Å; E28-N31 WeakPolarHBondContact OE1-CB 3.36Å; E28-N31 PolarHBondContact OE1-ND2 2.89Å; P29-N31 PolarHBondContact O-N 3.1Å; N31-K33 VanDerWaalsContact C-N 3.28Å; N31-K33 PolarHBondContact O-N 2.93Å; N31-K33 PolarHBondContact OD1-N 3.44Å; N31-K33 VanDerWaalsContact OD1-N 3.16Å; N31-A34 PolarHBondContact O-N 3.31Å; N31-A34 WeakPolarHBondContact OD1-CA 3.45Å; N31-A34 PolarHBondContact OD1-N 3.37Å; N31-R35 PolarHBondContact ND2-O 3.19Å; N31-Y40 WeakPolarHBondContact CA-O 3.31Å; N31-Y40 PolarHBondContact OD1-O 2.93Å; N31-R113 PolarHBondContact O-NH1 3.26Å; N31-R113 VanDerWaalsContact O-NH1 3.11Å
32L97.7Very high97.3Very high8 Ų858.4 Ų58.44%0.04228%0.281CS..THydrogen-bonded Turntrans-64.4-29.1-173.5-64.9174.7000114.2V49 V51 L106 A109 A110 R113L32-V49 VanDerWaalsContact CD2-O 3.29Å; L32-V49 WeakPolarHBondContact CD2-O 3.46Å; L32-V49 VanDerWaalsContact CG-O 3.3Å; L32-V49 WeakPolarHBondContact CG-O 3.47Å; L32-V51 HydrophobicContact CD2-CB 4.24Å; L32-V51 HydrophobicContact CD2-CG2 3.9Å; L32-L106 HydrophobicContact CD1-CB 3.85Å; L32-L106 HydrophobicContact CD1-CD1 3.98Å; L32-L106 HydrophobicContact CD1-CD2 4.4Å; L32-L106 HydrophobicContact CD1-CG 4.31Å; L32-A109 HydrophobicContact CB-CB 4.12Å; L32-A109 HydrophobicContact CD1-CB 4.02Å; L32-A110 HydrophobicContact CD1-CB 4Å; L32-A110 HydrophobicContact CD2-CB 4.41Å; L32-R113 WeakPolarHBondContact O-CD 3.2Å; L32-R113 PolarHBondContact O-NH1 3.16Å
33K97.6Very high97.2Very high95 Ų9550.8 Ų50.841%0.41325%0.251SS..THydrogen-bonded Turntrans-1130.1-177.5-67.9-163.1179.4176.70114N31 R35 Y40 A109N31-K33 VanDerWaalsContact C-N 3.28Å; N31-K33 PolarHBondContact O-N 2.93Å; N31-K33 PolarHBondContact OD1-N 3.44Å; N31-K33 VanDerWaalsContact OD1-N 3.16Å; K33-R35 HydrophobicContact CB-CG 4.33Å; K33-R35 PolarHBondContact O-N 2.93Å; K33-R35 VanDerWaalsContact O-N 3.13Å; K33-Y40 HydrophobicContact CB-CD2 4.45Å; K33-Y40 HydrophobicContact CB-CG 4.36Å; K33-Y40 HydrophobicContact CD-CD1 4.36Å; K33-Y40 HydrophobicContact CD-CD2 4.44Å; K33-Y40 HydrophobicContact CD-CE1 3.83Å; K33-Y40 HydrophobicContact CD-CE2 3.95Å; K33-Y40 HydrophobicContact CG-CD1 4.23Å; K33-Y40 HydrophobicContact CG-CE1 4.13Å; K33-Y40 PolarHBondContact NZ-OH 3.19Å; K33-A109 HydrophobicContact CG-CB 4.34Å
34A97.6Very high97.2Very high39 Ų3946.5 Ų46.532%0.32223%0.231SC..  trans52.627.5-174.700000114.2Y25 S26 N31Y25-A34 WeakPolarHBondContact CA-O 3.48Å; Y25-A34 WeakPolarHBondContact CD1-O 3.32Å; S26-A34 PolarHBondContact N-O 3.24Å; S26-A34 CarbonylContact O-C 3.52Å; S26-A34 WeakPolarHBondContact O-CA 3.4Å; N31-A34 PolarHBondContact O-N 3.31Å; N31-A34 WeakPolarHBondContact OD1-CA 3.45Å; N31-A34 PolarHBondContact OD1-N 3.37Å
35R97.2Very high97.2Very high146 Ų14644.9 Ų44.955%0.55122%0.219SC*.BIsolated β-bridgetrans-103.9140.2179.9-70.2-179.165.7-176.2-1.6109.8N31 K33 S37N31-R35 PolarHBondContact ND2-O 3.19Å; K33-R35 HydrophobicContact CB-CG 4.33Å; K33-R35 PolarHBondContact O-N 2.93Å; K33-R35 VanDerWaalsContact O-N 3.13Å; R35-S37 PolarHBondContact O-N 3.43Å
36N97.4Very high97.1Very high38 Ų3849.4 Ų49.420%0.20324%0.236CC..  trans-70.698.8169.2-171.129000109.3W7 R11 L17 T24W7-N36 WeakPolarHBondContact CH2-OD1 3.32Å; W7-N36 WeakPolarHBondContact CZ3-OD1 3.49Å; R11-N36 PolarHBondContact O-ND2 3.02Å; L17-N36 HydrophobicContact CD1-CB 3.83Å; L17-N36 VanDerWaalsContact CD1-ND2 3.3Å; L17-N36 WeakPolarHBondContact CD1-ND2 3.5Å; T24-N36 HydrophobicContact CG2-CB 3.64Å
37S97.3Very high97Very high36 Ų3653.7 Ų53.725%0.25225%0.254SS..  trans-156.6137.3-177175.50000109.7W7 R35 R39 Y40 N41W7-S37 VanDerWaalsContact CH2-C 3.48Å; R35-S37 PolarHBondContact O-N 3.43Å; S37-R39 PolarHBondContact O-N 3.39Å; S37-R39 VanDerWaalsContact O-N 3.15Å; S37-Y40 PolarHBondContact O-N 3.4Å; S37-Y40 VanDerWaalsContact O-N 3.13Å; S37-N41 PolarHBondContact O-N 3.44Å; S37-N41 VanDerWaalsContact O-N 3.09Å
38F97.7Very high97Very high55 Ų5549.7 Ų49.724%0.24123%0.23CC..THydrogen-bonded Turntrans-48-45.9175.4179.7-108.6000112A3 H4 W7 Y40 I44 H45A3-F38 HydrophobicContact CB-CE2 4.02Å; A3-F38 HydrophobicContact CB-CZ 4.06Å; H4-F38 AromaticContact CD2-CZ 3.83Å; H4-F38 AromaticContact CE1-CE1 3.84Å; H4-F38 AromaticContact CE1-CZ 3.65Å; H4-F38 AromaticContact ND1-CZ 3.97Å; H4-F38 AromaticContact NE2-CE1 3.87Å; H4-F38 AromaticContact NE2-CZ 3.52Å; W7-F38 HydrophobicContact CB-CD2 3.62Å; W7-F38 HydrophobicContact CB-CE2 3.96Å; W7-F38 AromaticContact CD1-CD2 3.88Å; W7-F38 HydrophobicContact CD2-CB 4.04Å; W7-F38 AromaticContact CD2-CD2 3.97Å; W7-F38 HydrophobicContact CD2-CD2 3.97Å; W7-F38 HydrophobicContact CG-CB 4.28Å; W7-F38 AromaticContact CG-CD2 3.51Å; W7-F38 HydrophobicContact CG-CD2 3.51Å; W7-F38 HydrophobicContact CG-CE2 4.31Å; W7-F38 HydrophobicContact CG-CG 4.35Å; W7-F38 HydrophobicContact CZ2-CB 4.29Å; F38-Y40 PolarHBondContact O-N 3.45Å; F38-I44 HydrophobicContact CD2-CD1 3.54Å; F38-I44 HydrophobicContact CE2-CD1 3.71Å; F38-H45 AromaticContact CE1-CE1 3.74Å; F38-H45 AromaticContact CE2-CE1 3.97Å; F38-H45 AromaticContact CZ-CE1 3.58Å; F38-H45 PolarHBondContact O-NE2 2.98Å
39R97.6Very high97Very high112 Ų11249.4 Ų49.442%0.42323%0.228SC..THydrogen-bonded Turntrans-64.5-39.5-176.3-178.6174.1172.8174.9-5.4113.4S37 R103 D105 L106S37-R39 PolarHBondContact O-N 3.39Å; S37-R39 VanDerWaalsContact O-N 3.15Å; R39-R103 PolarHBondContact O-NH2 2.75Å; R39-D105 IonicContact NE-OD2 3.59Å; R39-D105 PolarHBondContact NH2-O 3.13Å; R39-L106 HydrophobicContact CG-CD2 4.32Å
40Y97.8Very high97.2Very high28 Ų2846.3 Ų46.311%0.1121%0.208CC..THydrogen-bonded Turntrans-96.9-4.8-172.3-56.7-64.7000113.8N31 K33 S37 F38 G42 L106 A109N31-Y40 WeakPolarHBondContact CA-O 3.31Å; N31-Y40 PolarHBondContact OD1-O 2.93Å; K33-Y40 HydrophobicContact CB-CD2 4.45Å; K33-Y40 HydrophobicContact CB-CG 4.36Å; K33-Y40 HydrophobicContact CD-CD1 4.36Å; K33-Y40 HydrophobicContact CD-CD2 4.44Å; K33-Y40 HydrophobicContact CD-CE1 3.83Å; K33-Y40 HydrophobicContact CD-CE2 3.95Å; K33-Y40 HydrophobicContact CG-CD1 4.23Å; K33-Y40 HydrophobicContact CG-CE1 4.13Å; K33-Y40 PolarHBondContact NZ-OH 3.19Å; S37-Y40 PolarHBondContact O-N 3.4Å; S37-Y40 VanDerWaalsContact O-N 3.13Å; F38-Y40 PolarHBondContact O-N 3.45Å; Y40-G42 PolarHBondContact O-N 2.9Å; Y40-L106 HydrophobicContact CD1-CD2 3.78Å; Y40-L106 HydrophobicContact CE1-CD2 4.03Å; Y40-A109 HydrophobicContact CE1-CB 4.35Å
41N97.8Very high97.3Very high6 Ų645.6 Ų45.63%0.03220%0.204CC..  trans-63.4128.6-178.9-172.4-72.8000111.7E28 S37 L43 I44 H45E28-N41 WeakPolarHBondContact OE1-CA 3.45Å; S37-N41 PolarHBondContact O-N 3.44Å; S37-N41 VanDerWaalsContact O-N 3.09Å; N41-L43 PolarHBondContact OD1-N 3.36Å; N41-I44 HydrophobicContact CB-CD1 3.92Å; N41-I44 HydrophobicContact CB-CG1 3.99Å; N41-I44 PolarHBondContact OD1-N 3.44Å; N41-I44 VanDerWaalsContact OD1-N 3.13Å; N41-H45 PolarHBondContact O-CD2 2.91Å
42G96.3Very high97.2Very high1 Ų147.5 Ų47.51%0.0121%0.213CC..SBendtrans-86.9-6.1-174.400000115.5Y40 T48Y40-G42 PolarHBondContact O-N 2.9Å; G42-T48 WeakPolarHBondContact O-CG2 3.12Å
43L95.7Very high97.2Very high68 Ų6850.8 Ų50.836%0.35624%0.235SC..SBendtrans-107.5-43.1-170.1-59.4177.3000112.4F16 E28 N41 K65F16-L43 HydrophobicContact CD2-CD1 3.96Å; F16-L43 HydrophobicContact CE2-CD1 3.7Å; E28-L43 HydrophobicContact CB-CD1 3.94Å; E28-L43 HydrophobicContact CB-CG 4.17Å; E28-L43 HydrophobicContact CG-CD1 4.31Å; E28-L43 HydrophobicContact CG-CG 4.14Å; N41-L43 PolarHBondContact OD1-N 3.36Å; L43-K65 PolarHBondContact O-NZ 2.86Å
44I96.3Very high97.1Very high12 Ų1246.7 Ų46.76%0.06222%0.219CC..SBendtrans-78-24.4-169.166.3179.1000114.6Q6 W7 V10 F38 N41Q6-I44 HydrophobicContact CB-CB 4.14Å; Q6-I44 HydrophobicContact CB-CG2 3.77Å; Q6-I44 VanDerWaalsContact OE1-CA 3.28Å; Q6-I44 PolarHBondContact OE1-O 2.92Å; W7-I44 HydrophobicContact CB-CD1 3.9Å; W7-I44 HydrophobicContact CD2-CD1 4.45Å; W7-I44 HydrophobicContact CE3-CD1 4.01Å; W7-I44 HydrophobicContact CG-CD1 4.45Å; V10-I44 HydrophobicContact CG2-CG2 4.07Å; F38-I44 HydrophobicContact CD2-CD1 3.54Å; F38-I44 HydrophobicContact CE2-CD1 3.71Å; N41-I44 HydrophobicContact CB-CD1 3.92Å; N41-I44 HydrophobicContact CB-CG1 3.99Å; N41-I44 PolarHBondContact OD1-N 3.44Å; N41-I44 VanDerWaalsContact OD1-N 3.13Å
45H97Very high97Very high29 Ų2950.2 Ų50.213%0.13425%0.248CC..  trans-84.8147.1-174-71.5-71.7000111.9F38 N41 K47 T48 K65F38-H45 AromaticContact CE1-CE1 3.74Å; F38-H45 AromaticContact CE2-CE1 3.97Å; F38-H45 AromaticContact CZ-CE1 3.58Å; F38-H45 PolarHBondContact O-NE2 2.98Å; N41-H45 PolarHBondContact O-CD2 2.91Å; H45-K47 VanDerWaalsContact C-N 3.31Å; H45-K47 VanDerWaalsContact CB-O 3.31Å; H45-K47 WeakPolarHBondContact CB-O 3.38Å; H45-T48 HydrophobicContact CB-CG2 3.89Å; H45-K65 PolarHBondContact O-NZ 2.91Å
46R95.8Very high96.7Very high186 Ų18648 Ų4870%0.70225%0.247SC*.SBendtrans-69-32.9173.3-60.2-17696.9176.98.1112.1Q70R46-Q70 PolarHBondContact O-NE2 3.29Å
47K96.9Very high96.4Very high91 Ų9148.1 Ų48.140%0.39626%0.257SS..SBendtrans-112.2126.4174.2-67-172.9-175.6175.30109.3H45 Y102 R103H45-K47 VanDerWaalsContact C-N 3.31Å; H45-K47 VanDerWaalsContact CB-O 3.31Å; H45-K47 WeakPolarHBondContact CB-O 3.38Å; K47-Y102 VanDerWaalsContact CA-OH 3.32Å; K47-Y102 WeakPolarHBondContact CA-OH 3.45Å; K47-Y102 HydrophobicContact CB-CD1 4.25Å; K47-Y102 HydrophobicContact CB-CE1 3.61Å; K47-Y102 HydrophobicContact CB-CE2 4.24Å; K47-Y102 HydrophobicContact CD-CD1 4.41Å; K47-Y102 HydrophobicContact CD-CD2 4.01Å; K47-Y102 HydrophobicContact CD-CE1 4.4Å; K47-Y102 HydrophobicContact CD-CE2 4.01Å; K47-Y102 HydrophobicContact CD-CG 4.21Å; K47-Y102 WeakPolarHBondContact CD-O 3.47Å; K47-Y102 HydrophobicContact CG-CD2 4.42Å; K47-Y102 HydrophobicContact CG-CE1 4.19Å; K47-Y102 HydrophobicContact CG-CE2 3.91Å; K47-Y102 PolarHBondContact NZ-O 3.07Å; K47-R103 HydrophobicContact CB-CG 3.78Å; K47-R103 HydrophobicContact CD-CG 4.43Å; K47-R103 WeakPolarHBondContact O-CD 3.5Å; K47-R103 PolarHBondContact O-NH1 2.83Å
48T97.1Very high96.2Very high1 Ų153 Ų531%0.00627%0.274CS..  trans-138.5149.6177.664.40000109.7G42 H45 K65 Y102G42-T48 WeakPolarHBondContact O-CG2 3.12Å; H45-T48 HydrophobicContact CB-CG2 3.89Å; T48-K65 HydrophobicContact CG2-CD 4.25Å; T48-K65 PolarHBondContact O-N 3.24Å; T48-K65 WeakPolarHBondContact OG1-CB 3.32Å; T48-Y102 PolarHBondContact N-OH 3.44Å; T48-Y102 WeakPolarHBondContact O-CE1 3.47Å; T48-Y102 PolarHBondContact O-OH 3.11Å
49V97.8Very high96.1Very high1 Ų150.6 Ų50.61%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-127.7114.1177.5-179.90000106.9L32 V63 I97 Y102 L106 A110L32-V49 VanDerWaalsContact CD2-O 3.29Å; L32-V49 WeakPolarHBondContact CD2-O 3.46Å; L32-V49 VanDerWaalsContact CG-O 3.3Å; L32-V49 WeakPolarHBondContact CG-O 3.47Å; V49-V63 CarbonylContact C-O 3.49Å; V49-V63 WeakPolarHBondContact CA-O 3.44Å; V49-I97 HydrophobicContact CG1-CD1 4.01Å; V49-I97 HydrophobicContact CG1-CG1 4.47Å; V49-I97 HydrophobicContact CG2-CG1 4.49Å; V49-Y102 HydrophobicContact CG2-CD1 3.78Å; V49-Y102 HydrophobicContact CG2-CE1 3.88Å; V49-L106 HydrophobicContact CB-CD1 4.38Å; V49-A110 HydrophobicContact CG1-CB 4.24Å
50G98Very high96.1Very high1 Ų145.2 Ų45.21%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-101.6151.6168.800000111.1N30 V62 V63N30-G50 WeakPolarHBondContact OD1-CA 3.39Å; G50-V62 WeakPolarHBondContact O-CA 3.3Å; G50-V63 PolarHBondContact N-O 2.81Å; G50-V63 PolarHBondContact O-N 3.3Å
51V98.2Very high96.1Very high1 Ų144.3 Ų44.31%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-135.8119.7168.8-174.50000107.4L32 V60 V61 A110 R113 A114 I117L32-V51 HydrophobicContact CD2-CB 4.24Å; L32-V51 HydrophobicContact CD2-CG2 3.9Å; V51-V60 HydrophobicContact CG1-CB 4.34Å; V51-V61 WeakPolarHBondContact CA-O 3.15Å; V51-A110 HydrophobicContact CG2-CB 3.98Å; V51-R113 HydrophobicContact CB-CB 4.44Å; V51-R113 HydrophobicContact CB-CG 4.21Å; V51-R113 WeakPolarHBondContact O-CD 3.42Å; V51-R113 PolarHBondContact O-NE 3.24Å; V51-A114 HydrophobicContact CG1-CB 3.93Å; V51-I117 HydrophobicContact CG1-CD1 3.86Å
52E97.2Very high96.1Very high43 Ų4344.1 Ų44.120%0.20124%0.24CC..EExtended strand (participates in β ladder)trans-128.8154.8-173.2-68.5172.4-177.200109.7V60 V61 R79E52-V60 CarbonylContact O-C 3.56Å; E52-V60 WeakPolarHBondContact O-CA 3.26Å; E52-V61 PolarHBondContact N-O 3.44Å; E52-V61 PolarHBondContact O-N 3.13Å; E52-R79 IonicContact OE2-CZ 3.25Å; E52-R79 VanDerWaalsContact OE2-CZ 3.25Å; E52-R79 IonicContact OE2-NH1 2.86Å; E52-R79 PolarHBondContact OE2-NH1 3.36Å; E52-R79 IonicContact OE2-NH2 2.7Å; E52-R79 PolarHBondContact OE2-NH2 3.07Å
53P97.1Very high96.2Very high78 Ų7844.1 Ų44.151%0.50624%0.24SC..EExtended strand (participates in β ladder)trans-64.3146.6168.228.7-33.9000110.6I117P53-I117 HydrophobicContact CB-CG2 3.96Å
54A96.3Very high96.3Very high8 Ų842.5 Ų42.57%0.06623%0.231CC..  trans-69.8151.5168.800000111.2D56 G57 K58 G59 V61 T81A54-D56 VanDerWaalsContact C-N 3.27Å; A54-D56 WeakPolarHBondContact CB-OD1 3.41Å; A54-D56 PolarHBondContact O-N 2.91Å; A54-G57 PolarHBondContact O-N 3.45Å; A54-G57 VanDerWaalsContact O-N 3.1Å; A54-K58 WeakPolarHBondContact CB-O 3.44Å; A54-G59 PolarHBondContact N-O 3.41Å; A54-V61 HydrophobicContact CB-CG2 4.05Å; A54-T81 HydrophobicContact CB-CG2 4.21Å
55A94Very high96.3Very high114 Ų11442.8 Ų42.894%0.94223%0.232SC*.THydrogen-bonded Turntrans-66-28.4-17400000113.3G57A55-G57 PolarHBondContact O-N 3.01Å
56D91.9Very high96.2Very high99 Ų9947.3 Ų47.353%0.52925%0.248SC..THydrogen-bonded Turntrans-79.91.8175.964.5-17.3000113.4A54 K58A54-D56 VanDerWaalsContact C-N 3.27Å; A54-D56 WeakPolarHBondContact CB-OD1 3.41Å; A54-D56 PolarHBondContact O-N 2.91Å; D56-K58 PolarHBondContact O-N 3.26Å; D56-K58 PolarHBondContact OD1-N 3Å
57G90.5Very high96.2Very high40 Ų4049.4 Ų49.441%0.41226%0.256SS..SBendtrans734.6-175.700000114.2A54 A55 Q121A54-G57 PolarHBondContact O-N 3.45Å; A54-G57 VanDerWaalsContact O-N 3.1Å; A55-G57 PolarHBondContact O-N 3.01Å; G57-Q121 VanDerWaalsContact O-CG 3.24Å; G57-Q121 WeakPolarHBondContact O-CG 3.3Å; G57-Q121 PolarHBondContact O-NE2 3.05Å
58K93.3Very high96Very high140 Ų14048.7 Ų48.761%0.60926%0.262SS*.SBendtrans-121.1110.7-176.2-64.1177.5-175.8173.70111.2A54 D56A54-K58 WeakPolarHBondContact CB-O 3.44Å; D56-K58 PolarHBondContact O-N 3.26Å; D56-K58 PolarHBondContact OD1-N 3Å
59G95.1Very high95.9Very high3 Ų349.9 Ų49.93%0.03128%0.275CS..SBendtrans88.6-169.1177.700000113.3A54 I82 Q121A54-G59 PolarHBondContact N-O 3.41Å; G59-I82 WeakPolarHBondContact CA-O 3.5Å; G59-Q121 PolarHBondContact O-NE2 2.96Å; G59-Q121 PolarHBondContact O-OE1 3.25Å
60V97.7Very high95.6Very high0 Ų052.5 Ų52.50%029%0.287CS..EExtended strand (participates in β ladder)trans-127.5143.6-168.6-58.50000111.2V51 E52 I82 T89 I93 I117 L118V51-V60 HydrophobicContact CG1-CB 4.34Å; E52-V60 CarbonylContact O-C 3.56Å; E52-V60 WeakPolarHBondContact O-CA 3.26Å; V60-I82 HydrophobicContact CG2-CB 4.17Å; V60-I82 PolarHBondContact N-O 2.96Å; V60-I82 PolarHBondContact O-N 3.43Å; V60-T89 HydrophobicContact CG2-CG2 3.4Å; V60-I93 HydrophobicContact CG2-CD1 4.09Å; V60-I117 HydrophobicContact CG1-CB 4.15Å; V60-I117 HydrophobicContact CG1-CG2 3.81Å; V60-L118 HydrophobicContact CG1-CD2 4.15Å; V60-L118 HydrophobicContact CG1-CG 4.12Å
61V98.1Very high95.5Very high8 Ų863.9 Ų63.95%0.04833%0.329CS..EExtended strand (participates in β ladder)trans-103.5121.6172.3-176.80000108.6V51 E52 A54 V63 R79 T81V51-V61 WeakPolarHBondContact CA-O 3.15Å; E52-V61 PolarHBondContact N-O 3.44Å; E52-V61 PolarHBondContact O-N 3.13Å; A54-V61 HydrophobicContact CB-CG2 4.05Å; V61-V63 HydrophobicContact CG1-CG2 4.28Å; V61-R79 HydrophobicContact CG1-CB 3.92Å; V61-T81 HydrophobicContact CG2-CG2 4.35Å
62V97.9Very high95.4Very high2 Ų270.7 Ų70.71%0.01236%0.359CS..EExtended strand (participates in β ladder)trans-95.5124.3173.3-177.40000108.2G50 M64 R79 T80 I82 I93 M96G50-V62 WeakPolarHBondContact O-CA 3.3Å; V62-M64 HydrophobicContact CG1-CG 4.19Å; V62-R79 WeakPolarHBondContact O-CA 3.41Å; V62-T80 PolarHBondContact N-O 3.47Å; V62-T80 PolarHBondContact O-N 3.43Å; V62-I82 HydrophobicContact CG2-CD1 4.1Å; V62-I93 HydrophobicContact CG2-CD1 3.99Å; V62-I93 HydrophobicContact CG2-CG1 3.75Å; V62-M96 HydrophobicContact CB-CE 4.14Å; V62-M96 HydrophobicContact CG1-CE 4.1Å; V62-M96 HydrophobicContact CG2-CE 3.8Å
63V98Very high95.3Very high2 Ų273.4 Ų73.41%0.01238%0.381CS..EExtended strand (participates in β ladder)trans-108.1122.6-178.9-172.30000108.2N30 V49 G50 V61 Y77 V78 R79N30-V63 WeakPolarHBondContact OD1-CB 3.44Å; N30-V63 WeakPolarHBondContact OD1-CG1 3.4Å; V49-V63 CarbonylContact C-O 3.49Å; V49-V63 WeakPolarHBondContact CA-O 3.44Å; G50-V63 PolarHBondContact N-O 2.81Å; G50-V63 PolarHBondContact O-N 3.3Å; V61-V63 HydrophobicContact CG1-CG2 4.28Å; V63-Y77 HydrophobicContact CG1-CD1 3.85Å; V63-Y77 HydrophobicContact CG1-CG 4.15Å; V63-V78 WeakPolarHBondContact CA-O 3.33Å; V63-R79 HydrophobicContact CG1-CG 4.35Å; V63-R79 HydrophobicContact CG2-CG 4.25Å; V63-R79 VanDerWaalsContact CG2-NH1 3.3Å
64M97.3Very high95.2Very high34 Ų3474.6 Ų74.617%0.16740%0.397CS..EExtended strand (participates in β ladder)trans-124.4135.7177.8-66-170.2-69.600110.6V62 V78 M96V62-M64 HydrophobicContact CG1-CG 4.19Å; M64-V78 PolarHBondContact N-O 3.24Å; M64-V78 PolarHBondContact O-N 3Å; M64-M96 HydrophobicContact CE-SD 4.23Å
65K97.2Very high95.2Very high18 Ų1877.4 Ų77.48%0.07841%0.413CS..EExtended strand (participates in β ladder)trans-79.7133.3178.2-158.7171.3-176.5-178.80111.2L43 H45 T48 S76 Y77 Y102L43-K65 PolarHBondContact O-NZ 2.86Å; H45-K65 PolarHBondContact O-NZ 2.91Å; T48-K65 HydrophobicContact CG2-CD 4.25Å; T48-K65 PolarHBondContact O-N 3.24Å; T48-K65 WeakPolarHBondContact OG1-CB 3.32Å; K65-S76 CarbonylContact C-O 3.55Å; K65-S76 WeakPolarHBondContact CA-O 3.48Å; K65-S76 WeakPolarHBondContact CG-O 3.44Å; K65-Y77 HydrophobicContact CB-CD1 4.07Å; K65-Y77 HydrophobicContact CB-CE1 3.96Å; K65-Y77 HydrophobicContact CD-CE1 3.95Å; K65-Y77 HydrophobicContact CG-CD1 4.13Å; K65-Y77 HydrophobicContact CG-CE1 3.82Å; K65-Y102 PolarHBondContact N-OH 3.46Å; K65-Y102 PolarHBondContact O-OH 3.15Å
66R95.7Very high95.3Very high124 Ų12472.1 Ų72.147%0.46837%0.369SS..  trans-68.4148.3174-62.1-178.679.1174.50.9109.8S68 Q70 T75 S76 V78R66-S68 CarbonylContact C-O 3.58Å; R66-S68 WeakPolarHBondContact CB-O 3.38Å; R66-Q70 PolarHBondContact O-NE2 2.78Å; R66-T75 WeakPolarHBondContact CD-O 3.36Å; R66-S76 PolarHBondContact N-O 3.3Å; R66-V78 HydrophobicContact CG-CG2 3.58Å
67R94.2Very high95.6Very high230 Ų23070.9 Ų70.987%0.86836%0.358SS*.SBendtrans-65.1-43.3173.4-177.5-179.3178-177.9-0.8110.9
68S94.2Very high95.9Very high75 Ų7572.1 Ų72.152%0.52436%0.357SS..SBendtrans-81.7166.7173.555.10000111.4R66 Q70R66-S68 CarbonylContact C-O 3.58Å; R66-S68 WeakPolarHBondContact CB-O 3.38Å; S68-Q70 VanDerWaalsContact C-N 3.35Å; S68-Q70 PolarHBondContact O-N 3.26Å
69G93.3Very high96.1Very high26 Ų2672.1 Ų72.127%0.26835%0.353SS..  trans71.423.8173.900000115R71 K72 S76G69-R71 PolarHBondContact O-N 2.96Å; G69-R71 VanDerWaalsContact O-N 3.14Å; G69-K72 PolarHBondContact O-N 3.27Å; G69-S76 WeakPolarHBondContact O-CB 3.29Å
70Q93Very high96.2Very high56 Ų5674.5 Ų74.526%0.26237%0.367SS..THydrogen-bonded Turntrans-58.2-28.8-178.8-68-70.9-49.200113.8R46 R66 S68R46-Q70 PolarHBondContact O-NE2 3.29Å; R66-Q70 PolarHBondContact O-NE2 2.78Å; S68-Q70 VanDerWaalsContact C-N 3.35Å; S68-Q70 PolarHBondContact O-N 3.26Å
71R94.5Very high96.2Very high240 Ų24078.8 Ų78.891%0.90639%0.393SS*.THydrogen-bonded Turntrans-95.33.7176.3-59.4179.2-177.2169.4-1113.3G69 P73G69-R71 PolarHBondContact O-N 2.96Å; G69-R71 VanDerWaalsContact O-N 3.14Å; R71-P73 VanDerWaalsContact O-CD 3.3Å; R71-P73 WeakPolarHBondContact O-CD 3.42Å
72K96.3Very high96.1Very high144 Ų14479 Ų7963%0.62640%0.395SS*.  trans-115.377.3-177.2-64.5-171.1177.3-171.40109.1G69 A74 T75 S76G69-K72 PolarHBondContact O-N 3.27Å; K72-A74 PolarHBondContact O-N 3.39Å; K72-A74 VanDerWaalsContact O-N 3.14Å; K72-T75 WeakPolarHBondContact CB-OG1 3.36Å; K72-T75 PolarHBondContact O-N 3.23Å; K72-T75 PolarHBondContact O-OG1 2.99Å; K72-S76 WeakPolarHBondContact O-CB 3.3Å; K72-S76 PolarHBondContact O-N 2.7Å; K72-S76 VanDerWaalsContact O-N 3.09Å
73P95.1Very high96Very high101 Ų10183.6 Ų83.666%0.65642%0.419SS*.G310 helixtrans-53.3-40.5-169.219.3-32000113.2R71 T75 S76R71-P73 VanDerWaalsContact O-CD 3.3Å; R71-P73 WeakPolarHBondContact O-CD 3.42Å; P73-T75 PolarHBondContact O-N 3.09Å; P73-S76 PolarHBondContact O-N 2.86Å; P73-S76 PolarHBondContact O-OG 3.45Å
74A96.8Very high95.9Very high102 Ų10289.7 Ų89.784%0.84345%0.445SS*.G310 helixtrans-55.5-33.5178.500000114.3K72K72-A74 PolarHBondContact O-N 3.39Å; K72-A74 VanDerWaalsContact O-N 3.14Å
75T96.1Very high95.9Very high68 Ų6893.4 Ų93.442%0.41747%0.466SS..G310 helixtrans-109.9-1.2-176.163.80000113.3R66 K72 P73 Y77R66-T75 WeakPolarHBondContact CD-O 3.36Å; K72-T75 WeakPolarHBondContact CB-OG1 3.36Å; K72-T75 PolarHBondContact O-N 3.23Å; K72-T75 PolarHBondContact O-OG1 2.99Å; P73-T75 PolarHBondContact O-N 3.09Å; T75-Y77 VanDerWaalsContact C-N 3.31Å; T75-Y77 PolarHBondContact O-N 3.18Å
76S96.4Very high95.8Very high3 Ų395 Ų952%0.02148%0.482CS..SBendtrans-76-17.6-168.567.50000113.7K65 R66 G69 K72 P73K65-S76 CarbonylContact C-O 3.55Å; K65-S76 WeakPolarHBondContact CA-O 3.48Å; K65-S76 WeakPolarHBondContact CG-O 3.44Å; R66-S76 PolarHBondContact N-O 3.3Å; G69-S76 WeakPolarHBondContact O-CB 3.29Å; K72-S76 WeakPolarHBondContact O-CB 3.3Å; K72-S76 PolarHBondContact O-N 2.7Å; K72-S76 VanDerWaalsContact O-N 3.09Å; P73-S76 PolarHBondContact O-N 2.86Å; P73-S76 PolarHBondContact O-OG 3.45Å
77Y97.2Very high95.9Very high73 Ų7399.2 Ų99.229%0.28650%0.498SS..EExtended strand (participates in β ladder)trans-117.3139.4-178.4-62.7-75000111.5N30 V63 K65 T75N30-Y77 WeakPolarHBondContact ND2-CE1 3.38Å; V63-Y77 HydrophobicContact CG1-CD1 3.85Å; V63-Y77 HydrophobicContact CG1-CG 4.15Å; K65-Y77 HydrophobicContact CB-CD1 4.07Å; K65-Y77 HydrophobicContact CB-CE1 3.96Å; K65-Y77 HydrophobicContact CD-CE1 3.95Å; K65-Y77 HydrophobicContact CG-CD1 4.13Å; K65-Y77 HydrophobicContact CG-CE1 3.82Å; T75-Y77 VanDerWaalsContact C-N 3.31Å; T75-Y77 PolarHBondContact O-N 3.18Å
78V97Very high96.1Very high65 Ų6589.8 Ų89.839%0.39447%0.469SS..EExtended strand (participates in β ladder)trans-110.6129.8169.31780000107.5V63 M64 R66V63-V78 WeakPolarHBondContact CA-O 3.33Å; M64-V78 PolarHBondContact N-O 3.24Å; M64-V78 PolarHBondContact O-N 3Å; R66-V78 HydrophobicContact CG-CG2 3.58Å
79R97.2Very high96.3Very high140 Ų14086.2 Ų86.253%0.52844%0.444SS..EExtended strand (participates in β ladder)trans-109.9131.9-179.2-58.7179.168.584.70.4108.5E52 V61 V62 V63E52-R79 IonicContact OE2-CZ 3.25Å; E52-R79 VanDerWaalsContact OE2-CZ 3.25Å; E52-R79 IonicContact OE2-NH1 2.86Å; E52-R79 PolarHBondContact OE2-NH1 3.36Å; E52-R79 IonicContact OE2-NH2 2.7Å; E52-R79 PolarHBondContact OE2-NH2 3.07Å; V61-R79 HydrophobicContact CG1-CB 3.92Å; V62-R79 WeakPolarHBondContact O-CA 3.41Å; V63-R79 HydrophobicContact CG1-CG 4.35Å; V63-R79 HydrophobicContact CG2-CG 4.25Å; V63-R79 VanDerWaalsContact CG2-NH1 3.3Å
80T97.3Very high96.5Very high54 Ų5486.5 Ų86.533%0.33144%0.439SS..EExtended strand (participates in β ladder)trans-128.3115.1178.2-54.50000108.9V62V62-T80 PolarHBondContact N-O 3.47Å; V62-T80 PolarHBondContact O-N 3.43Å
81T97.4Very high96.8Very high89 Ų8985.5 Ų85.555%0.54644%0.439SS..EExtended strand (participates in β ladder)trans-82.8131.5177.5-530000110A54 V61A54-T81 HydrophobicContact CB-CG2 4.21Å; V61-T81 HydrophobicContact CG2-CG2 4.35Å
82I97.3Very high97Very high14 Ų1475.5 Ų75.57%0.07241%0.405CS..EExtended strand (participates in β ladder)trans-122.4105.6174.5-58.1169.8000108.1G59 V60 V62 K84 T89 I93 M96G59-I82 WeakPolarHBondContact CA-O 3.5Å; V60-I82 HydrophobicContact CG2-CB 4.17Å; V60-I82 PolarHBondContact N-O 2.96Å; V60-I82 PolarHBondContact O-N 3.43Å; V62-I82 HydrophobicContact CG2-CD1 4.1Å; I82-K84 HydrophobicContact CG2-CB 4.03Å; I82-K84 HydrophobicContact CG2-CD 4.12Å; I82-K84 HydrophobicContact CG2-CG 3.95Å; I82-T89 HydrophobicContact CB-CG2 4.4Å; I82-T89 HydrophobicContact CG2-CG2 3.94Å; I82-T89 WeakPolarHBondContact CG2-OG1 3.3Å; I82-I93 HydrophobicContact CD1-CG1 4.23Å; I82-M96 HydrophobicContact CD1-CE 3.45Å; I82-M96 VanDerWaalsContact CD1-CE 3.45Å
83N95.6Very high97Very high97 Ų9768.6 Ų68.652%0.51938%0.376SS..  trans-109.967.9172.7-165.5-0000109.5
84K96Very high97.2Very high130 Ų13067.9 Ų67.957%0.56536%0.36SS*.SBendtrans-119.8171.3178.3-64.3-179.4175.9-179.40110I82 A88 T89I82-K84 HydrophobicContact CG2-CB 4.03Å; I82-K84 HydrophobicContact CG2-CD 4.12Å; I82-K84 HydrophobicContact CG2-CG 3.95Å; K84-A88 HydrophobicContact CB-CB 4.08Å; K84-A88 HydrophobicContact CD-CB 4.31Å; K84-T89 PolarHBondContact O-OG1 3.42Å
85N95.7Very high97.2Very high112 Ų11267.2 Ų67.260%0.59934%0.339SS*.  trans-57.1158.1171.373.245.6000112.1R87 A88 T89N85-R87 VanDerWaalsContact C-N 3.34Å; N85-R87 PolarHBondContact O-N 3.35Å; N85-R87 PolarHBondContact OD1-N 3.47Å; N85-A88 PolarHBondContact O-N 2.96Å; N85-A88 WeakPolarHBondContact OD1-CB 3.34Å; N85-A88 PolarHBondContact OD1-N 2.91Å; N85-T89 WeakPolarHBondContact O-CB 3.43Å; N85-T89 PolarHBondContact O-N 2.54Å; N85-T89 PolarHBondContact O-OG1 3.48Å
86A96.6Very high97.3Very high51 Ų5165.6 Ų65.642%0.42133%0.327SS..Hα-helixtrans-57.4-43.6-170.700000113.4T89 L90 L118A86-T89 PolarHBondContact O-N 3.29Å; A86-L90 VanDerWaalsContact O-CG 3.27Å; A86-L90 WeakPolarHBondContact O-CG 3.42Å; A86-L90 PolarHBondContact O-N 3.33Å; A86-L118 HydrophobicContact CB-CD1 4.08Å
87R98Very high97.3Very high214 Ų21465.5 Ų65.581%0.80833%0.326SS*.Hα-helixtrans-64.8-46.7-179.2-175.5178.9-70.1-119.71.7111.3N85 S91N85-R87 VanDerWaalsContact C-N 3.34Å; N85-R87 PolarHBondContact O-N 3.35Å; N85-R87 PolarHBondContact OD1-N 3.47Å; R87-S91 VanDerWaalsContact O-CB 3.27Å; R87-S91 WeakPolarHBondContact O-CB 3.37Å; R87-S91 PolarHBondContact O-N 2.92Å
88A98Very high97.3Very high32 Ų3269.5 Ų69.526%0.26434%0.341SS..Hα-helixtrans-65.2-40.2178.900000111.8K84 N85 S91 S92K84-A88 HydrophobicContact CB-CB 4.08Å; K84-A88 HydrophobicContact CD-CB 4.31Å; N85-A88 PolarHBondContact O-N 2.96Å; N85-A88 WeakPolarHBondContact OD1-CB 3.34Å; N85-A88 PolarHBondContact OD1-N 2.91Å; A88-S91 PolarHBondContact O-N 2.92Å; A88-S92 WeakPolarHBondContact O-CB 3.48Å; A88-S92 PolarHBondContact O-N 3.39Å; A88-S92 PolarHBondContact O-OG 2.76Å
89T97.9Very high97.3Very high0 Ų073.4 Ų73.40%035%0.352CS..Hα-helixtrans-62-51.5176.9-640000111.5V60 I82 K84 N85 A86 S91 S92 I93 L118V60-T89 HydrophobicContact CG2-CG2 3.4Å; I82-T89 HydrophobicContact CB-CG2 4.4Å; I82-T89 HydrophobicContact CG2-CG2 3.94Å; I82-T89 WeakPolarHBondContact CG2-OG1 3.3Å; K84-T89 PolarHBondContact O-OG1 3.42Å; N85-T89 WeakPolarHBondContact O-CB 3.43Å; N85-T89 PolarHBondContact O-N 2.54Å; N85-T89 PolarHBondContact O-OG1 3.48Å; A86-T89 PolarHBondContact O-N 3.29Å; T89-S91 VanDerWaalsContact C-N 3.31Å; T89-S91 PolarHBondContact O-N 3Å; T89-S92 PolarHBondContact O-N 2.74Å; T89-I93 HydrophobicContact CG2-CD1 4.33Å; T89-I93 WeakPolarHBondContact O-CG1 3.48Å; T89-I93 PolarHBondContact O-N 3.19Å; T89-I93 VanDerWaalsContact O-N 3.08Å; T89-L118 HydrophobicContact CG2-CD1 4.07Å
90L98.2Very high97.2Very high31 Ų3171.8 Ų71.816%0.16235%0.354CS..Hα-helixtrans-64.1-36.5178.1-63.3-177.9000112.4A86 R94 I111 A114A86-L90 VanDerWaalsContact O-CG 3.27Å; A86-L90 WeakPolarHBondContact O-CG 3.42Å; A86-L90 PolarHBondContact O-N 3.33Å; L90-R94 WeakPolarHBondContact O-CB 3.42Å; L90-R94 PolarHBondContact O-N 2.8Å; L90-I111 HydrophobicContact CD1-CG2 4.48Å; L90-I111 HydrophobicContact CD2-CG2 4.13Å; L90-I111 WeakPolarHBondContact CD2-O 3Å; L90-A114 HydrophobicContact CD2-CB 3.69Å
91S98.1Very high97.2Very high35 Ų3577.6 Ų77.625%0.24538%0.375CS..Hα-helixtrans-64.8-44.2174.6-167.90000111.8R87 A88 T89 I93 R94 H95R87-S91 VanDerWaalsContact O-CB 3.27Å; R87-S91 WeakPolarHBondContact O-CB 3.37Å; R87-S91 PolarHBondContact O-N 2.92Å; A88-S91 PolarHBondContact O-N 2.92Å; T89-S91 VanDerWaalsContact C-N 3.31Å; T89-S91 PolarHBondContact O-N 3Å; S91-I93 PolarHBondContact O-N 3.16Å; S91-R94 WeakPolarHBondContact O-CB 3.15Å; S91-R94 PolarHBondContact O-N 2.85Å; S91-H95 PolarHBondContact O-N 3.14Å; S91-H95 PolarHBondContact O-ND1 3.22Å; S91-H95 PolarHBondContact OG-CE1 3.06Å; S91-H95 PolarHBondContact OG-ND1 3.03Å
92S97.9Very high97.1Very high30 Ų3075.1 Ų75.121%0.2136%0.356CS..Hα-helixtrans-59.6-47.1178.1-58.40000111A88 T89 R94 H95 M96A88-S92 WeakPolarHBondContact O-CB 3.48Å; A88-S92 PolarHBondContact O-N 3.39Å; A88-S92 PolarHBondContact O-OG 2.76Å; T89-S92 PolarHBondContact O-N 2.74Å; S92-R94 VanDerWaalsContact C-N 3.35Å; S92-R94 PolarHBondContact O-N 3.14Å; S92-H95 PolarHBondContact O-N 2.85Å; S92-M96 WeakPolarHBondContact O-CG 3.31Å; S92-M96 PolarHBondContact O-N 2.73Å
93I97.8Very high97Very high0 Ų075.5 Ų75.50%036%0.357CS..Hα-helixtrans-60.7-43.4175.7-65172000111.6V60 V62 I82 T89 S91 H95 M96 I97 A110 I111 A114V60-I93 HydrophobicContact CG2-CD1 4.09Å; V62-I93 HydrophobicContact CG2-CD1 3.99Å; V62-I93 HydrophobicContact CG2-CG1 3.75Å; I82-I93 HydrophobicContact CD1-CG1 4.23Å; T89-I93 HydrophobicContact CG2-CD1 4.33Å; T89-I93 WeakPolarHBondContact O-CG1 3.48Å; T89-I93 PolarHBondContact O-N 3.19Å; T89-I93 VanDerWaalsContact O-N 3.08Å; S91-I93 PolarHBondContact O-N 3.16Å; I93-H95 VanDerWaalsContact C-N 3.33Å; I93-H95 PolarHBondContact O-N 3.13Å; I93-M96 HydrophobicContact CB-CE 4.43Å; I93-M96 HydrophobicContact CG1-CE 3.97Å; I93-M96 PolarHBondContact O-N 2.95Å; I93-I97 HydrophobicContact CG2-CD1 4.02Å; I93-I97 WeakPolarHBondContact O-CG1 3.48Å; I93-I97 PolarHBondContact O-N 2.97Å; I93-A110 HydrophobicContact CG2-CB 3.98Å; I93-I111 HydrophobicContact CG2-CG1 4.48Å; I93-A114 HydrophobicContact CD1-CB 3.4Å
94R98.1Very high97.1Very high86 Ų8675 Ų7533%0.32536%0.358SS..Hα-helixtrans-58.5-46176.8-175.4-173.8-66120.8-3.1111.4L90 S91 S92 R98 I111L90-R94 WeakPolarHBondContact O-CB 3.42Å; L90-R94 PolarHBondContact O-N 2.8Å; S91-R94 WeakPolarHBondContact O-CB 3.15Å; S91-R94 PolarHBondContact O-N 2.85Å; S92-R94 VanDerWaalsContact C-N 3.35Å; S92-R94 PolarHBondContact O-N 3.14Å; R94-R98 WeakPolarHBondContact O-CB 3.41Å; R94-R98 PolarHBondContact O-N 2.89Å; R94-I111 HydrophobicContact CB-CD1 3.95Å; R94-I111 HydrophobicContact CG-CD1 4.16Å
95H97.8Very high97.1Very high88 Ų8871.6 Ų71.641%0.40735%0.346SS..Hα-helixtrans-67.6-46-179.8-71.4111.7000111.7S91 S92 I93 I97 R98 K99S91-H95 PolarHBondContact O-N 3.14Å; S91-H95 PolarHBondContact O-ND1 3.22Å; S91-H95 PolarHBondContact OG-CE1 3.06Å; S91-H95 PolarHBondContact OG-ND1 3.03Å; S92-H95 PolarHBondContact O-N 2.85Å; I93-H95 VanDerWaalsContact C-N 3.33Å; I93-H95 PolarHBondContact O-N 3.13Å; H95-I97 PolarHBondContact O-N 3.28Å; H95-I97 VanDerWaalsContact O-N 3.16Å; H95-R98 PolarHBondContact O-N 3.36Å; H95-K99 HydrophobicContact CB-CG 4.4Å; H95-K99 VanDerWaalsContact O-CB 3.31Å; H95-K99 WeakPolarHBondContact O-CB 3.37Å; H95-K99 PolarHBondContact O-N 3.16Å
96M97Very high97.2Very high33 Ų3366.5 Ų66.516%0.16332%0.319CS..Hα-helixtrans-53.4-37.8176.8-76.4-170.3-72.200112.7V62 M64 I82 S92 I93 N100V62-M96 HydrophobicContact CB-CE 4.14Å; V62-M96 HydrophobicContact CG1-CE 4.1Å; V62-M96 HydrophobicContact CG2-CE 3.8Å; M64-M96 HydrophobicContact CE-SD 4.23Å; I82-M96 HydrophobicContact CD1-CE 3.45Å; I82-M96 VanDerWaalsContact CD1-CE 3.45Å; S92-M96 WeakPolarHBondContact O-CG 3.31Å; S92-M96 PolarHBondContact O-N 2.73Å; I93-M96 HydrophobicContact CB-CE 4.43Å; I93-M96 HydrophobicContact CG1-CE 3.97Å; I93-M96 PolarHBondContact O-N 2.95Å; M96-N100 VanDerWaalsContact O-CB 3.31Å; M96-N100 WeakPolarHBondContact O-CB 3.45Å; M96-N100 PolarHBondContact O-ND2 3.03Å
97I97.5Very high97.3Very high1 Ų167.6 Ų67.61%0.00531%0.312CS..Hα-helixtrans-85.8-48.4-179.5-59.6170.6000111.8V49 I93 H95 K101 Y102 R103 R107 A110V49-I97 HydrophobicContact CG1-CD1 4.01Å; V49-I97 HydrophobicContact CG1-CG1 4.47Å; V49-I97 HydrophobicContact CG2-CG1 4.49Å; I93-I97 HydrophobicContact CG2-CD1 4.02Å; I93-I97 WeakPolarHBondContact O-CG1 3.48Å; I93-I97 PolarHBondContact O-N 2.97Å; H95-I97 PolarHBondContact O-N 3.28Å; H95-I97 VanDerWaalsContact O-N 3.16Å; I97-K101 PolarHBondContact O-N 3.41Å; I97-Y102 PolarHBondContact O-N 3.25Å; I97-R103 WeakPolarHBondContact CG2-O 2.93Å; I97-R107 HydrophobicContact CB-CB 4.45Å; I97-R107 HydrophobicContact CG2-CB 3.92Å; I97-R107 HydrophobicContact CG2-CG 4.49Å; I97-A110 HydrophobicContact CD1-CB 3.59Å
98R96.8Very high97.3Very high158 Ų15861.2 Ų61.260%0.59629%0.292SS*.Hα-helixtrans-73.2-49.6-172.5-175.5-177.6175.4-167.92112R94 H95 K101R94-R98 WeakPolarHBondContact O-CB 3.41Å; R94-R98 PolarHBondContact O-N 2.89Å; H95-R98 PolarHBondContact O-N 3.36Å; R98-K101 PolarHBondContact O-N 3.28Å
99K96.8Very high97.3Very high146 Ų14660.2 Ų60.264%0.63528%0.284SS*.THydrogen-bonded Turntrans-71.2-36.6-173.9-65.9-69.7-170.4168.60111.5H95 K101H95-K99 HydrophobicContact CB-CG 4.4Å; H95-K99 VanDerWaalsContact O-CB 3.31Å; H95-K99 WeakPolarHBondContact O-CB 3.37Å; H95-K99 PolarHBondContact O-N 3.16Å; K99-K101 PolarHBondContact O-N 2.96Å
100N95.8Very high97.3Very high106 Ų10660.2 Ų60.257%0.56728%0.284SS*.THydrogen-bonded Turntrans-80.11.2176.5-60.7-29.5000114.2M96 Y102M96-N100 VanDerWaalsContact O-CB 3.31Å; M96-N100 WeakPolarHBondContact O-CB 3.45Å; M96-N100 PolarHBondContact O-ND2 3.03Å; N100-Y102 PolarHBondContact O-N 3.02Å
101K96.1Very high97.3Very high176 Ų17659.3 Ų59.377%0.76528%0.28SS*.THydrogen-bonded Turntrans46.836.5-175.5-58.3178-178.7177.80112.5I97 R98 K99I97-K101 PolarHBondContact O-N 3.41Å; R98-K101 PolarHBondContact O-N 3.28Å; K99-K101 PolarHBondContact O-N 2.96Å
102Y95.5Very high97.3Very high37 Ų3766.1 Ų66.115%0.14530%0.3CS..SBendtrans-76.6-60.1-166-173.7-92.4000111K47 T48 V49 K65 I97 N100K47-Y102 VanDerWaalsContact CA-OH 3.32Å; K47-Y102 WeakPolarHBondContact CA-OH 3.45Å; K47-Y102 HydrophobicContact CB-CD1 4.25Å; K47-Y102 HydrophobicContact CB-CE1 3.61Å; K47-Y102 HydrophobicContact CB-CE2 4.24Å; K47-Y102 HydrophobicContact CD-CD1 4.41Å; K47-Y102 HydrophobicContact CD-CD2 4.01Å; K47-Y102 HydrophobicContact CD-CE1 4.4Å; K47-Y102 HydrophobicContact CD-CE2 4.01Å; K47-Y102 HydrophobicContact CD-CG 4.21Å; K47-Y102 WeakPolarHBondContact CD-O 3.47Å; K47-Y102 HydrophobicContact CG-CD2 4.42Å; K47-Y102 HydrophobicContact CG-CE1 4.19Å; K47-Y102 HydrophobicContact CG-CE2 3.91Å; K47-Y102 PolarHBondContact NZ-O 3.07Å; T48-Y102 PolarHBondContact N-OH 3.44Å; T48-Y102 WeakPolarHBondContact O-CE1 3.47Å; T48-Y102 PolarHBondContact O-OH 3.11Å; V49-Y102 HydrophobicContact CG2-CD1 3.78Å; V49-Y102 HydrophobicContact CG2-CE1 3.88Å; K65-Y102 PolarHBondContact N-OH 3.46Å; K65-Y102 PolarHBondContact O-OH 3.15Å; I97-Y102 PolarHBondContact O-N 3.25Å; N100-Y102 PolarHBondContact O-N 3.02Å
103R95.8Very high97.3Very high23 Ų2368.8 Ų68.89%0.08731%0.305CS..  trans-151.476.5171.7-83.7-166.162.9-177.10.9110R39 K47 I97 D105 L106R39-R103 PolarHBondContact O-NH2 2.75Å; K47-R103 HydrophobicContact CB-CG 3.78Å; K47-R103 HydrophobicContact CD-CG 4.43Å; K47-R103 WeakPolarHBondContact O-CD 3.5Å; K47-R103 PolarHBondContact O-NH1 2.83Å; I97-R103 WeakPolarHBondContact CG2-O 2.93Å; R103-D105 WeakPolarHBondContact CA-OD1 3.38Å; R103-D105 WeakPolarHBondContact CB-OD1 3.41Å; R103-D105 IonicContact CZ-OD2 3.97Å; R103-D105 IonicContact NE-OD1 3.56Å; R103-D105 IonicContact NE-OD2 3.83Å; R103-D105 IonicContact NH2-OD2 3.15Å; R103-D105 PolarHBondContact NH2-OD2 3.46Å; R103-D105 VanDerWaalsContact NH2-OD2 3.15Å; R103-D105 PolarHBondContact O-N 3.44Å; R103-D105 VanDerWaalsContact O-N 3.13Å; R103-L106 HydrophobicContact CB-CG 4.42Å; R103-L106 PolarHBondContact O-N 3.04Å
104P96.7Very high97.3Very high85 Ų8568.8 Ų68.855%0.55231%0.305SS*.G310 helixtrans-62-24-171.525.3-33.9000112.9L106 R107P104-L106 VanDerWaalsContact C-N 3.26Å; P104-L106 PolarHBondContact O-N 2.73Å; P104-R107 VanDerWaalsContact O-CB 3.26Å; P104-R107 WeakPolarHBondContact O-CB 2.95Å; P104-R107 PolarHBondContact O-N 3.37Å
105D97.3Very high97.3Very high59 Ų5967.4 Ų67.432%0.31631%0.309SS..G310 helixtrans-59.9-32.8173.967.7-58.2000112.9R39 R103R39-D105 IonicContact NE-OD2 3.59Å; R39-D105 PolarHBondContact NH2-O 3.13Å; R103-D105 WeakPolarHBondContact CA-OD1 3.38Å; R103-D105 WeakPolarHBondContact CB-OD1 3.41Å; R103-D105 IonicContact CZ-OD2 3.97Å; R103-D105 IonicContact NE-OD1 3.56Å; R103-D105 IonicContact NE-OD2 3.83Å; R103-D105 IonicContact NH2-OD2 3.15Å; R103-D105 PolarHBondContact NH2-OD2 3.46Å; R103-D105 VanDerWaalsContact NH2-OD2 3.15Å; R103-D105 PolarHBondContact O-N 3.44Å; R103-D105 VanDerWaalsContact O-N 3.13Å
106L97.6Very high97.3Very high5 Ų565.6 Ų65.63%0.02631%0.309CS..G310 helixtrans-89.6-8-178.2-66.1-168.8000113.9L32 R39 Y40 V49 R103 P104 M108 A109 A110L32-L106 HydrophobicContact CD1-CB 3.85Å; L32-L106 HydrophobicContact CD1-CD1 3.98Å; L32-L106 HydrophobicContact CD1-CD2 4.4Å; L32-L106 HydrophobicContact CD1-CG 4.31Å; R39-L106 HydrophobicContact CG-CD2 4.32Å; Y40-L106 HydrophobicContact CD1-CD2 3.78Å; Y40-L106 HydrophobicContact CE1-CD2 4.03Å; V49-L106 HydrophobicContact CB-CD1 4.38Å; R103-L106 HydrophobicContact CB-CG 4.42Å; R103-L106 PolarHBondContact O-N 3.04Å; P104-L106 VanDerWaalsContact C-N 3.26Å; P104-L106 PolarHBondContact O-N 2.73Å; L106-M108 PolarHBondContact O-N 3.09Å; L106-A109 WeakPolarHBondContact O-CB 3.41Å; L106-A109 PolarHBondContact O-N 3.13Å; L106-A110 PolarHBondContact O-N 2.94Å
107R97.6Very high97.3Very high75 Ų7564.8 Ų64.828%0.28331%0.305SS..Hα-helixtrans-49.5-52-172.5-179.3-177.765107.2-2.3113.2I97 P104 A110 I111I97-R107 HydrophobicContact CB-CB 4.45Å; I97-R107 HydrophobicContact CG2-CB 3.92Å; I97-R107 HydrophobicContact CG2-CG 4.49Å; P104-R107 VanDerWaalsContact O-CB 3.26Å; P104-R107 WeakPolarHBondContact O-CB 2.95Å; P104-R107 PolarHBondContact O-N 3.37Å; R107-A110 PolarHBondContact O-N 2.92Å; R107-I111 HydrophobicContact CG-CD1 4.06Å; R107-I111 VanDerWaalsContact O-CG1 3.3Å; R107-I111 WeakPolarHBondContact O-CG1 3.34Å; R107-I111 PolarHBondContact O-N 3.39Å
108M98.1Very high97.3Very high79 Ų7965.9 Ų65.939%0.38931%0.311SS..Hα-helixtrans-72.1-33.7-176.4-16457.764.100112.2L106 I111 R112L106-M108 PolarHBondContact O-N 3.09Å; M108-I111 PolarHBondContact O-N 2.77Å; M108-R112 HydrophobicContact CG-CG 4.43Å; M108-R112 WeakPolarHBondContact O-CB 3.49Å; M108-R112 WeakPolarHBondContact O-CG 3.27Å; M108-R112 PolarHBondContact O-N 3Å
109A98.2Very high97.2Very high11 Ų1167.7 Ų67.79%0.09132%0.318CS..Hα-helixtrans-64.8-41.9175.400000111.1L32 K33 Y40 L106 R112 R113L32-A109 HydrophobicContact CB-CB 4.12Å; L32-A109 HydrophobicContact CD1-CB 4.02Å; K33-A109 HydrophobicContact CG-CB 4.34Å; Y40-A109 HydrophobicContact CE1-CB 4.35Å; L106-A109 WeakPolarHBondContact O-CB 3.41Å; L106-A109 PolarHBondContact O-N 3.13Å; A109-R112 PolarHBondContact O-N 2.47Å; A109-R113 WeakPolarHBondContact O-CB 3.46Å; A109-R113 PolarHBondContact O-N 3.49Å
110A98.3Very high97.1Very high0 Ų065.1 Ų65.10%032%0.318CS..Hα-helixtrans-64.4-45.2176.100000112L32 V49 V51 I93 I97 L106 R107 R112 R113 A114L32-A110 HydrophobicContact CD1-CB 4Å; L32-A110 HydrophobicContact CD2-CB 4.41Å; V49-A110 HydrophobicContact CG1-CB 4.24Å; V51-A110 HydrophobicContact CG2-CB 3.98Å; I93-A110 HydrophobicContact CG2-CB 3.98Å; I97-A110 HydrophobicContact CD1-CB 3.59Å; L106-A110 PolarHBondContact O-N 2.94Å; R107-A110 PolarHBondContact O-N 2.92Å; A110-R112 PolarHBondContact O-N 2.98Å; A110-R113 PolarHBondContact O-N 3Å; A110-A114 WeakPolarHBondContact O-CB 3.3Å; A110-A114 PolarHBondContact O-N 2.85Å
111I98.3Very high97Very high13 Ų1362.7 Ų62.77%0.06730%0.303CS..Hα-helixtrans-59.3-46.5175.6-69.3168.5000111L90 I93 R94 R107 M108 A114 S115L90-I111 HydrophobicContact CD1-CG2 4.48Å; L90-I111 HydrophobicContact CD2-CG2 4.13Å; L90-I111 WeakPolarHBondContact CD2-O 3Å; I93-I111 HydrophobicContact CG2-CG1 4.48Å; R94-I111 HydrophobicContact CB-CD1 3.95Å; R94-I111 HydrophobicContact CG-CD1 4.16Å; R107-I111 HydrophobicContact CG-CD1 4.06Å; R107-I111 VanDerWaalsContact O-CG1 3.3Å; R107-I111 WeakPolarHBondContact O-CG1 3.34Å; R107-I111 PolarHBondContact O-N 3.39Å; M108-I111 PolarHBondContact O-N 2.77Å; I111-A114 PolarHBondContact O-N 3.13Å; I111-S115 WeakPolarHBondContact O-CB 3.47Å; I111-S115 PolarHBondContact O-N 3.42Å
112R98.3Very high96.8Very high177 Ų17760.9 Ų60.967%0.66830%0.296SS*.Hα-helixtrans-63.7-42.4179.4-69.4-104176.481.5-1.1111.6M108 A109 A110 S115 A116M108-R112 HydrophobicContact CG-CG 4.43Å; M108-R112 WeakPolarHBondContact O-CB 3.49Å; M108-R112 WeakPolarHBondContact O-CG 3.27Å; M108-R112 PolarHBondContact O-N 3Å; A109-R112 PolarHBondContact O-N 2.47Å; A110-R112 PolarHBondContact O-N 2.98Å; R112-S115 PolarHBondContact O-N 3.12Å; R112-A116 PolarHBondContact O-N 3.17Å
113R98.1Very high96.5Very high86 Ų8664.8 Ų64.833%0.32533%0.325SS..Hα-helixtrans-64.3-45176.6-171.5173.1-174.7100.6-2112N31 L32 V51 A109 A110 S115 A116 I117N31-R113 PolarHBondContact O-NH1 3.26Å; N31-R113 VanDerWaalsContact O-NH1 3.11Å; L32-R113 WeakPolarHBondContact O-CD 3.2Å; L32-R113 PolarHBondContact O-NH1 3.16Å; V51-R113 HydrophobicContact CB-CB 4.44Å; V51-R113 HydrophobicContact CB-CG 4.21Å; V51-R113 WeakPolarHBondContact O-CD 3.42Å; V51-R113 PolarHBondContact O-NE 3.24Å; A109-R113 WeakPolarHBondContact O-CB 3.46Å; A109-R113 PolarHBondContact O-N 3.49Å; A110-R113 PolarHBondContact O-N 3Å; R113-S115 VanDerWaalsContact C-N 3.33Å; R113-S115 PolarHBondContact O-N 3.47Å; R113-A116 WeakPolarHBondContact O-CB 3.47Å; R113-A116 PolarHBondContact O-N 2.89Å; R113-A116 VanDerWaalsContact O-N 3.16Å; R113-I117 HydrophobicContact CG-CD1 4.17Å; R113-I117 WeakPolarHBondContact O-CG1 3.49Å; R113-I117 PolarHBondContact O-N 3.29Å
114A98.1Very high96.3Very high0 Ų069.8 Ų69.80%036%0.358CS..Hα-helixtrans-59.6-43.8174.600000111.8V51 L90 I93 A110 I111 A116 I117 L118V51-A114 HydrophobicContact CG1-CB 3.93Å; L90-A114 HydrophobicContact CD2-CB 3.69Å; I93-A114 HydrophobicContact CD1-CB 3.4Å; A110-A114 WeakPolarHBondContact O-CB 3.3Å; A110-A114 PolarHBondContact O-N 2.85Å; I111-A114 PolarHBondContact O-N 3.13Å; A114-A116 VanDerWaalsContact C-N 3.3Å; A114-A116 PolarHBondContact O-N 3.15Å; A114-I117 PolarHBondContact O-N 3.22Å; A114-L118 WeakPolarHBondContact O-CB 3.15Å; A114-L118 WeakPolarHBondContact O-CG 3.41Å; A114-L118 PolarHBondContact O-N 2.92Å
115S97.9Very high95.7Very high57 Ų5771.7 Ų71.740%0.39937%0.368SS..Hα-helixtrans-62.3-37.2175.9-173.50000112.4I111 R112 R113 R119I111-S115 WeakPolarHBondContact O-CB 3.47Å; I111-S115 PolarHBondContact O-N 3.42Å; R112-S115 PolarHBondContact O-N 3.12Å; R113-S115 VanDerWaalsContact C-N 3.33Å; R113-S115 PolarHBondContact O-N 3.47Å; S115-R119 WeakPolarHBondContact O-CB 3.19Å; S115-R119 PolarHBondContact O-N 3Å
116A97.8Very high95Very high50 Ų5074.5 Ų74.541%0.41339%0.387SS..Hα-helixtrans-66.8-42.5176.600000111.8R112 R113 A114 R119 S120R112-A116 PolarHBondContact O-N 3.17Å; R113-A116 WeakPolarHBondContact O-CB 3.47Å; R113-A116 PolarHBondContact O-N 2.89Å; R113-A116 VanDerWaalsContact O-N 3.16Å; A114-A116 VanDerWaalsContact C-N 3.3Å; A114-A116 PolarHBondContact O-N 3.15Å; A116-R119 WeakPolarHBondContact O-CB 3.35Å; A116-R119 PolarHBondContact O-N 3.33Å; A116-S120 PolarHBondContact O-N 2.84Å
117I97.2Very high93.9Very high17 Ų1783.4 Ų83.49%0.08743%0.426CS..Hα-helixtrans-63.9-47.7175.8-67.7161.1000110.9V51 P53 V60 R113 A114 R119 S120 Q121V51-I117 HydrophobicContact CG1-CD1 3.86Å; P53-I117 HydrophobicContact CB-CG2 3.96Å; V60-I117 HydrophobicContact CG1-CB 4.15Å; V60-I117 HydrophobicContact CG1-CG2 3.81Å; R113-I117 HydrophobicContact CG-CD1 4.17Å; R113-I117 WeakPolarHBondContact O-CG1 3.49Å; R113-I117 PolarHBondContact O-N 3.29Å; A114-I117 PolarHBondContact O-N 3.22Å; I117-R119 PolarHBondContact O-N 3.39Å; I117-S120 WeakPolarHBondContact CA-OG 3.41Å; I117-S120 PolarHBondContact O-N 3.49Å; I117-S120 PolarHBondContact O-OG 2.52Å; I117-Q121 HydrophobicContact CG2-CG 4.41Å; I117-Q121 VanDerWaalsContact O-CG 3.32Å; I117-Q121 WeakPolarHBondContact O-CG 3.38Å; I117-Q121 PolarHBondContact O-N 3.22Å
118L96.7Very high92.6Very high24 Ų2491 Ų9113%0.12645%0.454CS..Hα-helixtrans-60.9-32.8176.5-70.2172.7000112V60 A86 T89 A114 K122V60-L118 HydrophobicContact CG1-CD2 4.15Å; V60-L118 HydrophobicContact CG1-CG 4.12Å; A86-L118 HydrophobicContact CB-CD1 4.08Å; T89-L118 HydrophobicContact CG2-CD1 4.07Å; A114-L118 WeakPolarHBondContact O-CB 3.15Å; A114-L118 WeakPolarHBondContact O-CG 3.41Å; A114-L118 PolarHBondContact O-N 2.92Å; L118-K122 WeakPolarHBondContact O-CG 3.48Å
119R95.1Very high91.3Very high196 Ų19696.6 Ų96.674%0.7448%0.476SS*.Hα-helixtrans-70.7-40173.8-172.3177.270.6164.33.7111.7S115 A116 I117 Q121 K122S115-R119 WeakPolarHBondContact O-CB 3.19Å; S115-R119 PolarHBondContact O-N 3Å; A116-R119 WeakPolarHBondContact O-CB 3.35Å; A116-R119 PolarHBondContact O-N 3.33Å; I117-R119 PolarHBondContact O-N 3.39Å; R119-Q121 VanDerWaalsContact C-N 3.26Å; R119-Q121 PolarHBondContact O-N 3.03Å; R119-K122 PolarHBondContact O-N 2.91Å
120S94.8Very high89.8Confident92 Ų92107.8 Ų107.864%0.64352%0.516SS*.Hα-helixtrans-70.3-23.3178.866.70000113.3A116 I117A116-S120 PolarHBondContact O-N 2.84Å; I117-S120 WeakPolarHBondContact CA-OG 3.41Å; I117-S120 PolarHBondContact O-N 3.49Å; I117-S120 PolarHBondContact O-OG 2.52Å
121Q94.3Very high88.6Confident54 Ų54113.9 Ų113.925%0.25255%0.554SS.*THydrogen-bonded Turntrans-83-12.4176.3-70.4173.2-14.700113.8G57 G59 I117 R119G57-Q121 VanDerWaalsContact O-CG 3.24Å; G57-Q121 WeakPolarHBondContact O-CG 3.3Å; G57-Q121 PolarHBondContact O-NE2 3.05Å; G59-Q121 PolarHBondContact O-NE2 2.96Å; G59-Q121 PolarHBondContact O-OE1 3.25Å; I117-Q121 HydrophobicContact CG2-CG 4.41Å; I117-Q121 VanDerWaalsContact O-CG 3.32Å; I117-Q121 WeakPolarHBondContact O-CG 3.38Å; I117-Q121 PolarHBondContact O-N 3.22Å; R119-Q121 VanDerWaalsContact C-N 3.26Å; R119-Q121 PolarHBondContact O-N 3.03Å
122K91.4Very high87.4Confident139 Ų139124.4 Ų124.460%0.60459%0.593SS**SBendtrans-71.8144176.3-74.8-179.7-179.9-1680110L118 R119 V124L118-K122 WeakPolarHBondContact O-CG 3.48Å; R119-K122 PolarHBondContact O-N 2.91Å; K122-V124 PolarHBondContact O-N 3.3Å
123P89.9Confident86.2Confident118 Ų118121.9 Ų121.977%0.76660%0.599SS**  trans-51.8132.5173.4-26.234.4000111.1V125P123-V125 PolarHBondContact O-N 3.28Å
124V89.8Confident85Confident129 Ų129124.3 Ų124.378%0.78262%0.624SS**  trans-71.4114176.1-178.90000107.8K122 V126K122-V124 PolarHBondContact O-N 3.3Å; V124-V126 PolarHBondContact O-N 2.96Å; V124-V126 VanDerWaalsContact O-N 3.07Å
125V85.1Confident83.5Confident124 Ų124134.1 Ų134.175%0.75267%0.666SS**  trans-73.1102172.6-1780000107.8P123 K127P123-V125 PolarHBondContact O-N 3.28Å; V125-K127 PolarHBondContact O-N 2.89Å
126V81.9Confident82.2Confident119 Ų119137 Ų13772%0.72169%0.687SS**  trans-69.998.7171.8-1760000107.5V124 R128V124-V126 PolarHBondContact O-N 2.96Å; V124-V126 VanDerWaalsContact O-N 3.07Å; V126-R128 PolarHBondContact O-N 3.09Å
127K74.6Confident80.5Confident191 Ų191144 Ų14483%0.8373%0.732SS**  trans-66.4101.9170-67.1-170.2-179.6-175.50107.5V125 K129V125-K127 PolarHBondContact O-N 2.89Å; K127-K129 PolarHBondContact O-N 3.39Å
128R70.5Confident79.7Confident235 Ų235150.3 Ų150.389%0.88777%0.765SS**  trans-57.6127.2168.7-70.4-172.1176.4-166.2-0.7107.8V126 R130V126-R128 PolarHBondContact O-N 3.09Å; R128-R130 PolarHBondContact O-N 3.28Å; R128-R130 VanDerWaalsContact O-N 3.13Å
129K71.3Confident78.8Confident196 Ų196156.9 Ų156.985%0.85280%0.798SS**  trans-57.4118.7170.6-169.2178.9-176.9-177.90106.1K127 T131K127-K129 PolarHBondContact O-N 3.39Å; K129-T131 PolarHBondContact O-N 3.04Å
130R66.6Low77.9Confident246 Ų246154.8 Ų154.893%0.92880%0.801SS**  trans-57.7109.7172.7-86.2-178.7162.2-177.7-5.8107.2R128R128-R130 PolarHBondContact O-N 3.28Å; R128-R130 VanDerWaalsContact O-N 3.13Å
131T73.8Confident76.9Confident129 Ų129158.5 Ų158.579%0.79181%0.811SS**PPolyproline II helixtrans-68.4133.2164.2430000107K129K129-T131 PolarHBondContact O-N 3.04Å
132R72.9Confident75.8Confident234 Ų234165 Ų16588%0.88385%0.846SS**PPolyproline II helixtrans-66139.4169.5-80.7-180165.8177-5107.6T134R132-T134 PolarHBondContact O-N 2.7Å
133P73.1Confident74.8Confident123 Ų123166.7 Ų166.780%0.79986%0.862SS**PPolyproline II helixtrans-61.5127.5173.125.2-30.9000108.8K135P133-K135 PolarHBondContact O-N 3.12Å
134T72.7Confident73.7Confident138 Ų138170.2 Ų170.285%0.84787%0.869SS**PPolyproline II helixtrans-67.5122.6167.235.60000108R132 S136R132-T134 PolarHBondContact O-N 2.7Å; T134-S136 PolarHBondContact O-N 3.21Å
135K65.3Low72.5Confident205 Ų205173.4 Ų173.489%0.89188%0.875SS**PPolyproline II helixtrans-62.4123.3168.2-72.8-176.7174.3-175.80107.7P133P133-K135 PolarHBondContact O-N 3.12Å
136S71.1Confident71.4Confident118 Ų118177.5 Ų177.583%0.82589%0.885SS**PPolyproline II helixtrans-73125.3164.846.10000108.6T134T134-S136 PolarHBondContact O-N 3.21Å
137S63.2Low70.5Confident196 Ų196182.8 Ų182.8100%1.37190%0.9SS**  trans-79.20160.5-65.30000110.5

Retrieved 137 of 137 residues in 45.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).