A0A060WGU3_ONCMY Loading...

Large ribosomal subunit protein eL28

AlphaFold DB , UniProt , Accession A0A060WGU3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 137 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M77Confident93.8Very high175 Ų17585.3 Ų85.386%0.86243%0.433SS*.  01290-157.461.890.100108.5L5 Q6M1-L5 HydrophobicContact SD-CD2 3.88Å; M1-Q6 HydrophobicContact CB-CG 4.48Å; M1-Q6 HydrophobicContact CG-CG 3.64Å
2S93Very high93.9Very high65 Ų6586.8 Ų86.846%0.45544%0.443SS..  trans-75142179.9176.80000110.9H4 L5 Q6S2-H4 VanDerWaalsContact C-N 3.33Å; S2-H4 PolarHBondContact O-N 3.3Å; S2-H4 PolarHBondContact OG-N 3.18Å; S2-L5 PolarHBondContact O-N 3.38Å; S2-Q6 WeakPolarHBondContact O-CG 3.47Å; S2-Q6 PolarHBondContact O-N 3.36Å; S2-Q6 VanDerWaalsContact O-N 3.17Å
3S94.6Very high94Very high32 Ų3287.5 Ų87.522%0.22446%0.459CS..Hα-helixtrans-65.3-36.1177.950.30000112.1W7 V44S3-W7 WeakPolarHBondContact O-CB 3.32Å; S3-W7 PolarHBondContact O-N 3.02Å; S3-V44 WeakPolarHBondContact CB-O 3.28Å
4H96.1Very high94.1Very high117 Ų11783.1 Ų83.154%0.54244%0.438SS..Hα-helixtrans-66.5-42.3177.9-76.3-83.9000112S2 W7 M8 F38S2-H4 VanDerWaalsContact C-N 3.33Å; S2-H4 PolarHBondContact O-N 3.3Å; S2-H4 PolarHBondContact OG-N 3.18Å; H4-W7 PolarHBondContact O-N 3.37Å; H4-M8 WeakPolarHBondContact O-CG 3.38Å; H4-M8 PolarHBondContact O-N 3.13Å; H4-F38 AromaticContact CD2-CZ 3.93Å; H4-F38 AromaticContact CE1-CE1 3.54Å; H4-F38 AromaticContact CE1-CZ 3.59Å; H4-F38 AromaticContact ND1-CZ 3.84Å; H4-F38 AromaticContact NE2-CE1 3.76Å; H4-F38 AromaticContact NE2-CZ 3.61Å
5L96Very high94.3Very high98 Ų9885.1 Ų85.151%0.51346%0.462SS..Hα-helixtrans-62.3-49.3176.7179.362.6000110.8M1 S2 W7 M8 V9M1-L5 HydrophobicContact SD-CD2 3.88Å; S2-L5 PolarHBondContact O-N 3.38Å; L5-W7 VanDerWaalsContact C-N 3.26Å; L5-W7 PolarHBondContact O-N 3.23Å; L5-M8 PolarHBondContact O-N 2.94Å; L5-M8 VanDerWaalsContact O-N 3.16Å; L5-V9 PolarHBondContact O-N 2.97Å
6Q95.5Very high94.4Very high68 Ų6883.9 Ų83.932%0.31845%0.451SS..Hα-helixtrans-58.7-41177-69.8177.5-27.900111.7M1 S2 V9 I10 V44M1-Q6 HydrophobicContact CB-CG 4.48Å; M1-Q6 HydrophobicContact CG-CG 3.64Å; S2-Q6 WeakPolarHBondContact O-CG 3.47Å; S2-Q6 PolarHBondContact O-N 3.36Å; S2-Q6 VanDerWaalsContact O-N 3.17Å; Q6-V9 WeakPolarHBondContact O-CB 3.48Å; Q6-V9 PolarHBondContact O-N 3.25Å; Q6-I10 WeakPolarHBondContact O-CG1 3.16Å; Q6-I10 PolarHBondContact O-N 2.92Å; Q6-V44 HydrophobicContact CB-CB 4.24Å; Q6-V44 HydrophobicContact CB-CG1 3.82Å; Q6-V44 PolarHBondContact OE1-O 3.42Å
7W96.9Very high94.6Very high33 Ų3380.7 Ų80.713%0.12543%0.434CS..Hα-helixtrans-62.4-42.7176.1177.1-112.3000112.9S3 H4 L5 V9 I10 R11 N36 F38 N41 V44S3-W7 WeakPolarHBondContact O-CB 3.32Å; S3-W7 PolarHBondContact O-N 3.02Å; H4-W7 PolarHBondContact O-N 3.37Å; L5-W7 VanDerWaalsContact C-N 3.26Å; L5-W7 PolarHBondContact O-N 3.23Å; W7-V9 PolarHBondContact O-N 3.13Å; W7-I10 HydrophobicContact CE3-CD1 4.4Å; W7-I10 HydrophobicContact CE3-CG1 4.11Å; W7-I10 PolarHBondContact O-N 2.56Å; W7-R11 HydrophobicContact CD2-CB 4.05Å; W7-R11 HydrophobicContact CE3-CB 4.35Å; W7-R11 HydrophobicContact CH2-CB 4.13Å; W7-R11 HydrophobicContact CZ2-CB 3.8Å; W7-R11 HydrophobicContact CZ3-CB 4.38Å; W7-R11 WeakPolarHBondContact O-CB 3.46Å; W7-R11 VanDerWaalsContact O-CG 3.32Å; W7-R11 WeakPolarHBondContact O-CG 3.41Å; W7-R11 PolarHBondContact O-N 3.13Å; W7-N36 WeakPolarHBondContact CH2-OD1 3.47Å; W7-F38 HydrophobicContact CB-CD2 3.56Å; W7-F38 HydrophobicContact CB-CE2 3.84Å; W7-F38 AromaticContact CD1-CD2 3.84Å; W7-F38 HydrophobicContact CD2-CB 4.03Å; W7-F38 AromaticContact CD2-CD2 3.91Å; W7-F38 HydrophobicContact CD2-CD2 3.91Å; W7-F38 HydrophobicContact CD2-CG 4.47Å; W7-F38 HydrophobicContact CG-CB 4.2Å; W7-F38 AromaticContact CG-CD2 3.45Å; W7-F38 HydrophobicContact CG-CD2 3.45Å; W7-F38 VanDerWaalsContact CG-CD2 3.45Å; W7-F38 HydrophobicContact CG-CE2 4.22Å; W7-F38 HydrophobicContact CG-CG 4.22Å; W7-F38 HydrophobicContact CZ2-CB 4.3Å; W7-N41 HydrophobicContact CZ3-CB 4.36Å; W7-V44 HydrophobicContact CB-CG1 4.5Å
8M96.9Very high94.7Very high118 Ų11879.4 Ų79.458%0.58143%0.426SS*.Hα-helixtrans-60.1-34.2176.9-73.5-62.7-72.400112.2H4 L5H4-M8 WeakPolarHBondContact O-CG 3.38Å; H4-M8 PolarHBondContact O-N 3.13Å; L5-M8 PolarHBondContact O-N 2.94Å; L5-M8 VanDerWaalsContact O-N 3.16Å
9V95.6Very high94.7Very high92 Ų9281.9 Ų81.956%0.55843%0.433SS*.Hα-helixtrans-69.5-58.3172.4179.20000110.5L5 Q6 W7 R11 C13L5-V9 PolarHBondContact O-N 2.97Å; Q6-V9 WeakPolarHBondContact O-CB 3.48Å; Q6-V9 PolarHBondContact O-N 3.25Å; W7-V9 PolarHBondContact O-N 3.13Å; V9-R11 PolarHBondContact O-N 3.05Å; V9-C13 PolarHBondContact O-SG 3Å
10I95.9Very high94.7Very high40 Ų4087 Ų8721%0.20545%0.446CS..Hα-helixtrans-81.8-15.7-165.971.4171.2000115.2Q6 W7 N12 C13 S14 V44Q6-I10 WeakPolarHBondContact O-CG1 3.16Å; Q6-I10 PolarHBondContact O-N 2.92Å; W7-I10 HydrophobicContact CE3-CD1 4.4Å; W7-I10 HydrophobicContact CE3-CG1 4.11Å; W7-I10 PolarHBondContact O-N 2.56Å; I10-N12 PolarHBondContact O-N 3.3Å; I10-C13 PolarHBondContact O-N 3.15Å; I10-S14 WeakPolarHBondContact O-CB 3.5Å; I10-S14 PolarHBondContact O-N 3.13Å; I10-V44 HydrophobicContact CD1-CG1 3.42Å; I10-V44 VanDerWaalsContact CD1-CG1 3.42Å; I10-V44 HydrophobicContact CG1-CG1 4.19Å
11R94.1Very high94.7Very high100 Ų10090.1 Ų90.138%0.37746%0.463SS..THydrogen-bonded Turntrans-55.9-26.5-169.859.4-175-69.2-166.1-2.6114.6W7 V9 N36W7-R11 HydrophobicContact CD2-CB 4.05Å; W7-R11 HydrophobicContact CE3-CB 4.35Å; W7-R11 HydrophobicContact CH2-CB 4.13Å; W7-R11 HydrophobicContact CZ2-CB 3.8Å; W7-R11 HydrophobicContact CZ3-CB 4.38Å; W7-R11 WeakPolarHBondContact O-CB 3.46Å; W7-R11 VanDerWaalsContact O-CG 3.32Å; W7-R11 WeakPolarHBondContact O-CG 3.41Å; W7-R11 PolarHBondContact O-N 3.13Å; V9-R11 PolarHBondContact O-N 3.05Å; R11-N36 PolarHBondContact O-ND2 2.83Å
12N95.1Very high95.5Very high104 Ų10486.1 Ų86.156%0.55647%0.467SS*.THydrogen-bonded Turntrans-124.7-9.7-174.7-71.1-24.8000115I10I10-N12 PolarHBondContact O-N 3.3Å
13C95.1Very high95.6Very high96 Ų9687.7 Ų87.765%0.64947%0.467SS*.THydrogen-bonded Turntrans-130.712.3-174.366.60000114.4V9 I10V9-C13 PolarHBondContact O-SG 3Å; I10-C13 PolarHBondContact O-N 3.15Å
14S96.2Very high95.6Very high25 Ų2589.1 Ų89.118%0.17548%0.475CS..  trans-68.5141176.2-175.10000111.9I10 F16 L17I10-S14 WeakPolarHBondContact O-CB 3.5Å; I10-S14 PolarHBondContact O-N 3.13Å; S14-F16 PolarHBondContact O-N 3.31Å; S14-F16 PolarHBondContact OG-N 2.92Å; S14-L17 WeakPolarHBondContact O-CB 3.5Å; S14-L17 PolarHBondContact O-N 3.38Å
15S96.3Very high95.6Very high114 Ų11488 Ų8880%0.79747%0.466SS*.THydrogen-bonded Turntrans-62.9-21.6171.256.10000113.7L17S15-L17 VanDerWaalsContact C-N 3.28Å
16F96.7Very high95.7Very high65 Ų6583.5 Ų83.529%0.28544%0.443SS..THydrogen-bonded Turntrans-80.7-8.4175.4-60.2-68.4000113.2S14 S26 T27 E28 L43S14-F16 PolarHBondContact O-N 3.31Å; S14-F16 PolarHBondContact OG-N 2.92Å; F16-S26 VanDerWaalsContact O-CA 3.32Å; F16-S26 WeakPolarHBondContact O-CA 3.49Å; F16-T27 PolarHBondContact O-N 3.46Å; F16-T27 PolarHBondContact O-OG1 3.46Å; F16-E28 HydrophobicContact CB-CB 3.92Å; F16-E28 HydrophobicContact CD1-CB 4.09Å; F16-E28 HydrophobicContact CD2-CB 3.8Å; F16-E28 HydrophobicContact CE2-CB 4.36Å; F16-E28 HydrophobicContact CG-CB 3.66Å; F16-L43 HydrophobicContact CD2-CD1 3.9Å; F16-L43 HydrophobicContact CE2-CD1 3.79Å
17L96.6Very high95.7Very high30 Ų3084.3 Ų84.316%0.15745%0.453CS..EExtended strand (participates in β ladder)trans-77.4127.2-175.3-173.360.2000110.8S14 S15 K19 T24 N36S14-L17 WeakPolarHBondContact O-CB 3.5Å; S14-L17 PolarHBondContact O-N 3.38Å; S15-L17 VanDerWaalsContact C-N 3.28Å; L17-K19 HydrophobicContact CG-CG 4.46Å; L17-T24 HydrophobicContact CD1-CG2 3.43Å; L17-T24 VanDerWaalsContact CD1-CG2 3.43Å; L17-T24 HydrophobicContact CG-CG2 4.49Å; L17-N36 HydrophobicContact CD1-CB 3.8Å; L17-N36 VanDerWaalsContact CD1-CG 3.47Å; L17-N36 VanDerWaalsContact CD1-ND2 3.28Å; L17-N36 WeakPolarHBondContact CD1-ND2 3.34Å
18I96.6Very high95.6Very high58 Ų5883.2 Ų83.230%0.29745%0.449SS..EExtended strand (participates in β ladder)trans-123.1122.8174.4-59.1-177.2000108.8R20 T24 Y25 T27I18-R20 HydrophobicContact CG2-CG 3.94Å; I18-T24 WeakPolarHBondContact O-CA 3.43Å; I18-Y25 PolarHBondContact N-O 3.32Å; I18-Y25 PolarHBondContact O-N 2.93Å; I18-T27 HydrophobicContact CD1-CG2 3.41Å; I18-T27 VanDerWaalsContact CD1-CG2 3.41Å; I18-T27 HydrophobicContact CG1-CG2 4.2Å
19K95.9Very high95.4Very high126 Ų12680.5 Ų80.555%0.54844%0.44SS..EExtended strand (participates in β ladder)trans-115.5112.2174.1-64.9179.5-175.5177.20108.8L17 Q23 T24L17-K19 HydrophobicContact CG-CG 4.46Å; K19-Q23 WeakPolarHBondContact CA-O 3.35Å; K19-T24 HydrophobicContact CG-CG2 4.05Å
20R94.9Very high95.3Very high183 Ų18376.9 Ų76.969%0.69142%0.418SS*.EExtended strand (participates in β ladder)trans-149.3143.8179.3-65.2-174.4-178.6178.7-0.7109.7I18 G22 Q23I18-R20 HydrophobicContact CG2-CG 3.94Å; R20-G22 VanDerWaalsContact C-N 3.31Å; R20-G22 PolarHBondContact O-N 3.14Å; R20-Q23 PolarHBondContact N-O 3.23Å; R20-Q23 PolarHBondContact O-N 3.33Å; R20-Q23 VanDerWaalsContact O-O 3.09Å
21N94.6Very high95.3Very high153 Ų15375.1 Ų75.182%0.81841%0.409SS*.THydrogen-bonded Turntrans5243.5173.8-54.7-12.8000113.9Q23N21-Q23 PolarHBondContact O-N 2.89Å; N21-Q23 VanDerWaalsContact O-N 3.13Å
22G92.8Very high95.4Very high91 Ų9170.7 Ų70.794%0.93839%0.393SS*.THydrogen-bonded Turntrans68.85.7-177.800000115.1R20R20-G22 VanDerWaalsContact C-N 3.31Å; R20-G22 PolarHBondContact O-N 3.14Å
23Q94.6Very high95.4Very high99 Ų9970.8 Ų70.846%0.46339%0.388SS..EExtended strand (participates in β ladder)trans-116.8146.8-175.9-63.8169.151.400110.9K19 R20 N21 Y25K19-Q23 WeakPolarHBondContact CA-O 3.35Å; R20-Q23 PolarHBondContact N-O 3.23Å; R20-Q23 PolarHBondContact O-N 3.33Å; R20-Q23 VanDerWaalsContact O-O 3.09Å; N21-Q23 PolarHBondContact O-N 2.89Å; N21-Q23 VanDerWaalsContact O-N 3.13Å; Q23-Y25 HydrophobicContact CB-CD2 4.3Å; Q23-Y25 HydrophobicContact CB-CE2 3.58Å; Q23-Y25 PolarHBondContact OE1-OH 3.32Å
24T95.8Very high95.4Very high61 Ų6168.5 Ų68.537%0.37437%0.373SS..EExtended strand (participates in β ladder)trans-120.6121.3-178.8-53.90000111L17 I18 K19 N36L17-T24 HydrophobicContact CD1-CG2 3.43Å; L17-T24 VanDerWaalsContact CD1-CG2 3.43Å; L17-T24 HydrophobicContact CG-CG2 4.49Å; I18-T24 WeakPolarHBondContact O-CA 3.43Å; K19-T24 HydrophobicContact CG-CG2 4.05Å; T24-N36 HydrophobicContact CG2-CB 3.6Å
25Y96.5Very high95.4Very high94 Ų9472.9 Ų72.937%0.36939%0.389SS..EExtended strand (participates in β ladder)trans-120161.4-177.4-65.9-77.8000111.3I18 Q23 S34I18-Y25 PolarHBondContact N-O 3.32Å; I18-Y25 PolarHBondContact O-N 2.93Å; Q23-Y25 HydrophobicContact CB-CD2 4.3Å; Q23-Y25 HydrophobicContact CB-CE2 3.58Å; Q23-Y25 PolarHBondContact OE1-OH 3.32Å; Y25-S34 CarbonylContact C-O 3.59Å; Y25-S34 WeakPolarHBondContact CA-O 3.39Å; Y25-S34 WeakPolarHBondContact CD1-O 3.32Å
26S96.7Very high95.4Very high3 Ų369.3 Ų69.32%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-130.1130.9168.61780000109.8F16 E28 S34F16-S26 VanDerWaalsContact O-CA 3.32Å; F16-S26 WeakPolarHBondContact O-CA 3.49Å; S26-E28 WeakPolarHBondContact OG-CG 3.32Å; S26-E28 PolarHBondContact OG-N 3.21Å; S26-E28 PolarHBondContact OG-OE1 3.34Å; S26-E28 PolarHBondContact OG-OE2 2.95Å; S26-S34 PolarHBondContact N-O 3.49Å; S26-S34 CarbonylContact O-C 3.58Å; S26-S34 WeakPolarHBondContact O-CA 3.42Å
27T95.9Very high95.3Very high86 Ų8668.2 Ų68.253%0.52836%0.361SS..  trans-959.2179.4550000113.5F16 I18F16-T27 PolarHBondContact O-N 3.46Å; F16-T27 PolarHBondContact O-OG1 3.46Å; I18-T27 HydrophobicContact CD1-CG2 3.41Å; I18-T27 VanDerWaalsContact CD1-CG2 3.41Å; I18-T27 HydrophobicContact CG1-CG2 4.2Å
28E94.8Very high95.3Very high9 Ų969.1 Ų69.14%0.04236%0.364CS..  trans-63.3148.3-178.272.8-156.4172.600112.6F16 S26 N31 N41 G42 L43F16-E28 HydrophobicContact CB-CB 3.92Å; F16-E28 HydrophobicContact CD1-CB 4.09Å; F16-E28 HydrophobicContact CD2-CB 3.8Å; F16-E28 HydrophobicContact CE2-CB 4.36Å; F16-E28 HydrophobicContact CG-CB 3.66Å; S26-E28 WeakPolarHBondContact OG-CG 3.32Å; S26-E28 PolarHBondContact OG-N 3.21Å; S26-E28 PolarHBondContact OG-OE1 3.34Å; S26-E28 PolarHBondContact OG-OE2 2.95Å; E28-N31 HydrophobicContact CG-CB 3.72Å; E28-N31 PolarHBondContact OE1-ND2 3.29Å; E28-N41 VanDerWaalsContact OE1-CA 3.23Å; E28-N41 WeakPolarHBondContact OE1-CA 3.16Å; E28-N41 PolarHBondContact OE1-ND2 2.72Å; E28-N41 PolarHBondContact OE2-ND2 3.14Å; E28-G42 PolarHBondContact OE1-N 2.75Å; E28-L43 HydrophobicContact CB-CD1 4.24Å; E28-L43 HydrophobicContact CB-CG 4.46Å
29P92.3Very high95.2Very high61 Ų6172 Ų7240%0.39637%0.371SS..THydrogen-bonded Turntrans-62.3151.5172.827.4-34.3000110.7N31P29-N31 PolarHBondContact O-N 3.15Å
30N94Very high95.2Very high16 Ų1667.2 Ų67.29%0.08635%0.35CS..THydrogen-bonded Turntrans63.918.6-179.7-53.1-39.5000115.7G50 Y77N30-G50 WeakPolarHBondContact OD1-CA 3.2Å; N30-Y77 VanDerWaalsContact ND2-CE1 3.33Å; N30-Y77 WeakPolarHBondContact ND2-CE1 3.28Å
31N96.3Very high95.3Very high3 Ų358.6 Ų58.62%0.01632%0.318CS..  trans-93111.1166.2-171.1-34.8000111E28 P29 K33 S34 K35 F40 R113E28-N31 HydrophobicContact CG-CB 3.72Å; E28-N31 PolarHBondContact OE1-ND2 3.29Å; P29-N31 PolarHBondContact O-N 3.15Å; N31-K33 PolarHBondContact O-N 3.46Å; N31-K33 PolarHBondContact OD1-N 2.93Å; N31-S34 WeakPolarHBondContact OD1-CA 3.46Å; N31-S34 PolarHBondContact OD1-N 3.31Å; N31-K35 PolarHBondContact ND2-O 2.95Å; N31-F40 WeakPolarHBondContact CA-O 3.41Å; N31-R113 PolarHBondContact O-NH1 3.22Å
32L95.6Very high95.3Very high8 Ų851.3 Ų51.34%0.04228%0.279CS..SBendtrans-69.9-30.3-172.4-65.9174.5000114.1V49 V51 L106 A109 A110 R113L32-V49 VanDerWaalsContact CD2-O 3.29Å; L32-V49 WeakPolarHBondContact CD2-O 3.45Å; L32-V49 WeakPolarHBondContact CG-O 3.42Å; L32-V51 HydrophobicContact CD2-CB 4.17Å; L32-V51 HydrophobicContact CD2-CG2 3.84Å; L32-L106 HydrophobicContact CD1-CB 3.84Å; L32-L106 HydrophobicContact CD1-CD1 3.87Å; L32-L106 HydrophobicContact CD1-CD2 4.25Å; L32-L106 HydrophobicContact CD1-CG 4.2Å; L32-A109 HydrophobicContact CB-CB 4.13Å; L32-A109 HydrophobicContact CD1-CB 3.99Å; L32-A110 HydrophobicContact CD1-CB 3.94Å; L32-A110 HydrophobicContact CD2-CB 4.38Å; L32-R113 WeakPolarHBondContact O-CD 3.42Å; L32-R113 PolarHBondContact O-NH1 3.35Å
33K95.6Very high95.3Very high106 Ų10649.9 Ų49.946%0.46125%0.249SC..SBendtrans-110.3-0.8-177-67.6-162.6178.3-172.60113.5N31 K35 F40 A109N31-K33 PolarHBondContact O-N 3.46Å; N31-K33 PolarHBondContact OD1-N 2.93Å; K33-K35 HydrophobicContact CB-CG 4.18Å; K33-K35 PolarHBondContact O-N 2.95Å; K33-F40 HydrophobicContact CB-CD2 4.43Å; K33-F40 HydrophobicContact CB-CG 4.39Å; K33-F40 HydrophobicContact CD-CD1 4.47Å; K33-F40 HydrophobicContact CD-CD2 4.37Å; K33-F40 HydrophobicContact CD-CE1 4.01Å; K33-F40 HydrophobicContact CD-CE2 3.9Å; K33-F40 HydrophobicContact CD-CZ 3.72Å; K33-F40 HydrophobicContact CG-CD1 4.29Å; K33-F40 HydrophobicContact CG-CE1 4.24Å; K33-F40 HydrophobicContact CG-CG 4.5Å; K33-F40 HydrophobicContact CG-CZ 4.4Å; K33-A109 HydrophobicContact CG-CB 4.35Å
34S95.3Very high95.3Very high47 Ų4745.4 Ų45.433%0.32923%0.229SC..  trans53.621.3-173.3-49.40000113.9Y25 S26 N31Y25-S34 CarbonylContact C-O 3.59Å; Y25-S34 WeakPolarHBondContact CA-O 3.39Å; Y25-S34 WeakPolarHBondContact CD1-O 3.32Å; S26-S34 PolarHBondContact N-O 3.49Å; S26-S34 CarbonylContact O-C 3.58Å; S26-S34 WeakPolarHBondContact O-CA 3.42Å; N31-S34 WeakPolarHBondContact OD1-CA 3.46Å; N31-S34 PolarHBondContact OD1-N 3.31Å
35K95.3Very high95.2Very high118 Ų11844 Ų4451%0.51322%0.218SC..BIsolated β-bridgetrans-93.6141.2179-68.6-167.9176-162.10109.5N31 K33 S37N31-K35 PolarHBondContact ND2-O 2.95Å; K33-K35 HydrophobicContact CB-CG 4.18Å; K33-K35 PolarHBondContact O-N 2.95Å; K35-S37 PolarHBondContact O-N 2.96Å
36N95.8Very high95.1Very high39 Ų3947.5 Ų47.521%0.20923%0.231CC..  trans-73.595169.2-171.234.9000109.5W7 R11 L17 T24W7-N36 WeakPolarHBondContact CH2-OD1 3.47Å; R11-N36 PolarHBondContact O-ND2 2.83Å; L17-N36 HydrophobicContact CD1-CB 3.8Å; L17-N36 VanDerWaalsContact CD1-CG 3.47Å; L17-N36 VanDerWaalsContact CD1-ND2 3.28Å; L17-N36 WeakPolarHBondContact CD1-ND2 3.34Å; T24-N36 HydrophobicContact CG2-CB 3.6Å
37S95.4Very high95Very high41 Ų4152.2 Ų52.229%0.28725%0.251SS..  trans-153.4140.1-178.2175.10000109.5K35 R39 F40 N41K35-S37 PolarHBondContact O-N 2.96Å; S37-R39 PolarHBondContact O-N 2.97Å; S37-F40 PolarHBondContact O-N 3.15Å; S37-F40 VanDerWaalsContact O-N 3.15Å; S37-N41 PolarHBondContact O-N 3.01Å; S37-N41 VanDerWaalsContact O-N 3.14Å
38F96.1Very high95Very high50 Ų5048.1 Ų48.122%0.21923%0.226CC..G310 helixtrans-50.3-45.4177.3-179.6-117000111.9H4 W7 F40 N41 V44 H45H4-F38 AromaticContact CD2-CZ 3.93Å; H4-F38 AromaticContact CE1-CE1 3.54Å; H4-F38 AromaticContact CE1-CZ 3.59Å; H4-F38 AromaticContact ND1-CZ 3.84Å; H4-F38 AromaticContact NE2-CE1 3.76Å; H4-F38 AromaticContact NE2-CZ 3.61Å; W7-F38 HydrophobicContact CB-CD2 3.56Å; W7-F38 HydrophobicContact CB-CE2 3.84Å; W7-F38 AromaticContact CD1-CD2 3.84Å; W7-F38 HydrophobicContact CD2-CB 4.03Å; W7-F38 AromaticContact CD2-CD2 3.91Å; W7-F38 HydrophobicContact CD2-CD2 3.91Å; W7-F38 HydrophobicContact CD2-CG 4.47Å; W7-F38 HydrophobicContact CG-CB 4.2Å; W7-F38 AromaticContact CG-CD2 3.45Å; W7-F38 HydrophobicContact CG-CD2 3.45Å; W7-F38 VanDerWaalsContact CG-CD2 3.45Å; W7-F38 HydrophobicContact CG-CE2 4.22Å; W7-F38 HydrophobicContact CG-CG 4.22Å; W7-F38 HydrophobicContact CZ2-CB 4.3Å; F38-F40 PolarHBondContact O-N 3.5Å; F38-N41 PolarHBondContact O-N 2.93Å; F38-V44 HydrophobicContact CD2-CG2 4.24Å; F38-V44 HydrophobicContact CE2-CG2 4.1Å; F38-H45 AromaticContact CE1-CE1 3.71Å; F38-H45 AromaticContact CE2-CE1 3.8Å; F38-H45 AromaticContact CZ-CE1 3.49Å; F38-H45 VanDerWaalsContact CZ-CE1 3.49Å; F38-H45 WeakPolarHBondContact CZ-CE1 3.29Å; F38-H45 PolarHBondContact O-CD2 3.04Å; F38-H45 PolarHBondContact O-NE2 2.88Å
39R95.7Very high95.1Very high117 Ų11747.8 Ų47.844%0.44222%0.224SC..G310 helixtrans-62.9-40.7-176.2-177.9174.8173.9-177.7-5.2112.8S37 R103 D105 L106S37-R39 PolarHBondContact O-N 2.97Å; R39-R103 PolarHBondContact O-NH1 3.18Å; R39-R103 PolarHBondContact O-NH2 3.49Å; R39-D105 IonicContact NE-OD2 3.15Å; R39-D105 PolarHBondContact NE-OD2 3.39Å; R39-D105 VanDerWaalsContact NE-OD2 3.15Å; R39-D105 PolarHBondContact NH2-O 3.2Å; R39-L106 HydrophobicContact CG-CD2 4.48Å
40F96.2Very high95.3Very high26 Ų2644.9 Ų44.911%0.11421%0.205CC..G310 helixtrans-92.5-2.5-173.8-57.7-61.9000113.4N31 K33 S37 F38 G42 L106 A109N31-F40 WeakPolarHBondContact CA-O 3.41Å; K33-F40 HydrophobicContact CB-CD2 4.43Å; K33-F40 HydrophobicContact CB-CG 4.39Å; K33-F40 HydrophobicContact CD-CD1 4.47Å; K33-F40 HydrophobicContact CD-CD2 4.37Å; K33-F40 HydrophobicContact CD-CE1 4.01Å; K33-F40 HydrophobicContact CD-CE2 3.9Å; K33-F40 HydrophobicContact CD-CZ 3.72Å; K33-F40 HydrophobicContact CG-CD1 4.29Å; K33-F40 HydrophobicContact CG-CE1 4.24Å; K33-F40 HydrophobicContact CG-CG 4.5Å; K33-F40 HydrophobicContact CG-CZ 4.4Å; S37-F40 PolarHBondContact O-N 3.15Å; S37-F40 VanDerWaalsContact O-N 3.15Å; F38-F40 PolarHBondContact O-N 3.5Å; F40-G42 PolarHBondContact O-N 3.41Å; F40-L106 HydrophobicContact CD1-CD2 3.61Å; F40-L106 HydrophobicContact CE1-CD2 3.74Å; F40-A109 HydrophobicContact CE1-CB 4.39Å
41N96.3Very high95.5Very high2 Ų244.2 Ų44.21%0.01120%0.202CC..  trans-66.6132.6-175.5-170.2-77.4000112.6W7 E28 S37 F38 L43 V44 H45W7-N41 HydrophobicContact CZ3-CB 4.36Å; E28-N41 VanDerWaalsContact OE1-CA 3.23Å; E28-N41 WeakPolarHBondContact OE1-CA 3.16Å; E28-N41 PolarHBondContact OE1-ND2 2.72Å; E28-N41 PolarHBondContact OE2-ND2 3.14Å; S37-N41 PolarHBondContact O-N 3.01Å; S37-N41 VanDerWaalsContact O-N 3.14Å; F38-N41 PolarHBondContact O-N 2.93Å; N41-L43 PolarHBondContact OD1-N 3.49Å; N41-V44 HydrophobicContact CB-CG2 3.91Å; N41-V44 PolarHBondContact OD1-N 2.86Å; N41-V44 VanDerWaalsContact OD1-N 3.09Å; N41-H45 PolarHBondContact O-CD2 2.97Å
42G93.4Very high95.4Very high0 Ų047.2 Ų47.20%022%0.216CC..SBendtrans-89.8-9.3-176.300000115.2E28 F40 T48E28-G42 PolarHBondContact OE1-N 2.75Å; F40-G42 PolarHBondContact O-N 3.41Å; G42-T48 WeakPolarHBondContact O-CG2 3.33Å
43L92.9Very high95.4Very high61 Ų6150.7 Ų50.732%0.31924%0.239SC..SBendtrans-103-43.7-170.9-58.6176.3000111.9F16 E28 N41 K65F16-L43 HydrophobicContact CD2-CD1 3.9Å; F16-L43 HydrophobicContact CE2-CD1 3.79Å; E28-L43 HydrophobicContact CB-CD1 4.24Å; E28-L43 HydrophobicContact CB-CG 4.46Å; N41-L43 PolarHBondContact OD1-N 3.49Å; L43-K65 PolarHBondContact O-NZ 3.19Å
44V94.9Very high95.3Very high6 Ų646 Ų464%0.03622%0.22CC..SBendtrans-77.4-26.3-171.3-56.90000114.3S3 Q6 W7 I10 F38 N41S3-V44 WeakPolarHBondContact CB-O 3.28Å; Q6-V44 HydrophobicContact CB-CB 4.24Å; Q6-V44 HydrophobicContact CB-CG1 3.82Å; Q6-V44 PolarHBondContact OE1-O 3.42Å; W7-V44 HydrophobicContact CB-CG1 4.5Å; I10-V44 HydrophobicContact CD1-CG1 3.42Å; I10-V44 VanDerWaalsContact CD1-CG1 3.42Å; I10-V44 HydrophobicContact CG1-CG1 4.19Å; F38-V44 HydrophobicContact CD2-CG2 4.24Å; F38-V44 HydrophobicContact CE2-CG2 4.1Å; N41-V44 HydrophobicContact CB-CG2 3.91Å; N41-V44 PolarHBondContact OD1-N 2.86Å; N41-V44 VanDerWaalsContact OD1-N 3.09Å
45H95.1Very high95Very high30 Ų3048.7 Ų48.714%0.13925%0.245CC..  trans-85.2146.6-174.3-70.9-67.6000112.2F38 N41 K47 T48 K65F38-H45 AromaticContact CE1-CE1 3.71Å; F38-H45 AromaticContact CE2-CE1 3.8Å; F38-H45 AromaticContact CZ-CE1 3.49Å; F38-H45 VanDerWaalsContact CZ-CE1 3.49Å; F38-H45 WeakPolarHBondContact CZ-CE1 3.29Å; F38-H45 PolarHBondContact O-CD2 3.04Å; F38-H45 PolarHBondContact O-NE2 2.88Å; N41-H45 PolarHBondContact O-CD2 2.97Å; H45-K47 VanDerWaalsContact C-N 3.35Å; H45-K47 WeakPolarHBondContact CB-O 3.42Å; H45-T48 HydrophobicContact CB-CG2 3.97Å; H45-K65 PolarHBondContact O-NZ 2.89Å
46R93.7Very high94.5Very high168 Ų16849.4 Ų49.463%0.63426%0.255SS*.SBendtrans-70-33.3173.3-64.5-177.170.7179.45.4112.4Q70R46-Q70 PolarHBondContact O-NE2 2.97Å
47K95.3Very high93.9Very high102 Ų10249.6 Ų49.644%0.44327%0.266SS..SBendtrans-114.1127175.9-66.9-175.6-178.2-179.20108.9H45 Y102 R103H45-K47 VanDerWaalsContact C-N 3.35Å; H45-K47 WeakPolarHBondContact CB-O 3.42Å; K47-Y102 VanDerWaalsContact CA-OH 3.31Å; K47-Y102 WeakPolarHBondContact CA-OH 3.23Å; K47-Y102 HydrophobicContact CB-CE1 3.88Å; K47-Y102 HydrophobicContact CB-CE2 4.03Å; K47-Y102 HydrophobicContact CD-CD2 3.96Å; K47-Y102 HydrophobicContact CD-CE2 3.86Å; K47-Y102 HydrophobicContact CD-CG 4.47Å; K47-Y102 HydrophobicContact CG-CD2 4.37Å; K47-Y102 HydrophobicContact CG-CE2 3.75Å; K47-R103 HydrophobicContact CB-CG 3.91Å; K47-R103 WeakPolarHBondContact O-CD 3.39Å
48T95.8Very high93.6Very high1 Ų154.7 Ų54.71%0.00628%0.283CS..  trans-138.6146.8179.261.90000109.8G42 H45 K65 Y102G42-T48 WeakPolarHBondContact O-CG2 3.33Å; H45-T48 HydrophobicContact CB-CG2 3.97Å; T48-K65 HydrophobicContact CG2-CD 4.24Å; T48-K65 PolarHBondContact O-N 3.04Å; T48-K65 WeakPolarHBondContact OG1-CB 3.47Å; T48-Y102 PolarHBondContact N-OH 2.97Å; T48-Y102 WeakPolarHBondContact O-CE1 3.45Å; T48-Y102 PolarHBondContact O-OH 2.86Å
49V96.9Very high93.4Very high1 Ų152.5 Ų52.51%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-121.7112.9175.8-178.50000107.1L32 L64 I97 Y102 R103 L106 A110L32-V49 VanDerWaalsContact CD2-O 3.29Å; L32-V49 WeakPolarHBondContact CD2-O 3.45Å; L32-V49 WeakPolarHBondContact CG-O 3.42Å; V49-L64 HydrophobicContact CB-CD2 4.38Å; V49-L64 HydrophobicContact CG1-CD2 4.26Å; V49-L64 HydrophobicContact CG2-CD2 3.9Å; V49-I97 HydrophobicContact CG1-CD1 4.14Å; V49-Y102 HydrophobicContact CG2-CD1 3.69Å; V49-Y102 HydrophobicContact CG2-CE1 3.73Å; V49-R103 HydrophobicContact CG2-CB 4.48Å; V49-L106 HydrophobicContact CB-CD1 4.34Å; V49-A110 HydrophobicContact CG1-CB 4.18Å
50G96.6Very high93.4Very high0 Ų047 Ų470%025%0.254CS..EExtended strand (participates in β ladder)trans-100.7148.9168.800000110.9N30 I62 V63N30-G50 WeakPolarHBondContact OD1-CA 3.2Å; G50-I62 WeakPolarHBondContact O-CA 3.29Å; G50-V63 PolarHBondContact N-O 2.77Å; G50-V63 PolarHBondContact O-N 2.72Å
51V96.9Very high93.4Very high2 Ų246.5 Ų46.51%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-134.9118.8172-1760000107.1L32 V60 V61 L93 A110 R113 A114 I117L32-V51 HydrophobicContact CD2-CB 4.17Å; L32-V51 HydrophobicContact CD2-CG2 3.84Å; V51-V60 HydrophobicContact CG1-CG1 3.29Å; V51-V61 WeakPolarHBondContact CA-O 3.23Å; V51-L93 HydrophobicContact CG2-CD2 4.23Å; V51-A110 HydrophobicContact CG2-CB 4.02Å; V51-R113 HydrophobicContact CB-CB 4.43Å; V51-R113 HydrophobicContact CB-CG 4.19Å; V51-R113 HydrophobicContact CG1-CG 4.46Å; V51-R113 PolarHBondContact O-NE 3.24Å; V51-A114 HydrophobicContact CG1-CB 3.88Å; V51-I117 HydrophobicContact CG1-CD1 3.86Å
52Q95.3Very high93.4Very high66 Ų6646.5 Ų46.531%0.30825%0.253SS..EExtended strand (participates in β ladder)trans-129.8153.7-173.4-69177.4-13.600110.2V61Q52-V61 HydrophobicContact CB-CB 4.5Å; Q52-V61 PolarHBondContact N-O 3.01Å; Q52-V61 PolarHBondContact O-N 3Å
53P94.8Very high93.6Very high82 Ų8246.7 Ų46.753%0.53225%0.254SS..EExtended strand (participates in β ladder)trans-63.3146.4167.328.9-34.1000110.3I117P53-I117 HydrophobicContact CB-CG2 4Å
54A93.7Very high93.8Very high7 Ų744.7 Ų44.76%0.05824%0.243CC..  trans-69150.716800000110.9D56 G57 K58 G59 V61 T81A54-D56 PolarHBondContact O-N 3.26Å; A54-G57 PolarHBondContact O-N 2.93Å; A54-K58 VanDerWaalsContact CB-O 3.31Å; A54-K58 WeakPolarHBondContact CB-O 3.12Å; A54-G59 PolarHBondContact N-O 2.91Å; A54-V61 HydrophobicContact CB-CG2 4.04Å; A54-T81 HydrophobicContact CB-CG2 4.44Å
55A89.4Confident93.8Very high104 Ų10445.3 Ų45.386%0.8625%0.246SC*.THydrogen-bonded Turntrans-60-35.9-179.900000112G57A55-G57 PolarHBondContact O-N 3.31Å
56D85.2Confident93.7Very high133 Ų13348.1 Ų48.171%0.71126%0.258SS*.THydrogen-bonded Turntrans-75.16.5-178.4-45.8-39.9000113.5A54 K58A54-D56 PolarHBondContact O-N 3.26Å; D56-K58 PolarHBondContact O-N 3.45Å
57G82.8Confident93.7Very high43 Ų4350.6 Ų50.644%0.44327%0.267SS..SBendtrans71-3.8-177.400000114.7A54 A55 Q121A54-G57 PolarHBondContact O-N 2.93Å; A55-G57 PolarHBondContact O-N 3.31Å; G57-Q121 VanDerWaalsContact O-CG 3.23Å; G57-Q121 WeakPolarHBondContact O-CG 3.32Å; G57-Q121 PolarHBondContact O-NE2 2.85Å
58K88.8Confident93.6Very high147 Ų14749.4 Ų49.464%0.63928%0.276SS*.SBendtrans-119.3120.5-178.4-64.5178.1-174.9173.50111.2A54 D56A54-K58 VanDerWaalsContact CB-O 3.31Å; A54-K58 WeakPolarHBondContact CB-O 3.12Å; D56-K58 PolarHBondContact O-N 3.45Å
59G91.9Very high93.3Very high4 Ų450.7 Ų50.74%0.04129%0.289CS..SBendtrans87.8-172.1176.400000113.6A54 I82 Q121A54-G59 PolarHBondContact N-O 2.91Å; G59-I82 WeakPolarHBondContact CA-O 3.41Å; G59-Q121 PolarHBondContact O-NE2 2.85Å; G59-Q121 PolarHBondContact O-OE1 2.84Å
60V95.9Very high93Very high2 Ų253.4 Ų53.41%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-130.7137-166.41800000110V51 I82 T89 A114 I117 L118V51-V60 HydrophobicContact CG1-CG1 3.29Å; V60-I82 PolarHBondContact N-O 3.15Å; V60-I82 PolarHBondContact O-N 3.47Å; V60-T89 HydrophobicContact CB-CG2 4.34Å; V60-T89 HydrophobicContact CG2-CG2 4.33Å; V60-A114 HydrophobicContact CG1-CB 4.43Å; V60-I117 HydrophobicContact CG2-CB 4.38Å; V60-I117 HydrophobicContact CG2-CG2 3.95Å; V60-L118 HydrophobicContact CG2-CD2 3.94Å; V60-L118 HydrophobicContact CG2-CG 3.94Å
61V97Very high92.8Very high16 Ų1664.8 Ų64.810%0.09735%0.345CS..EExtended strand (participates in β ladder)trans-100.7122.8172.4-178.20000109V51 Q52 A54 V63 K79 T81V51-V61 WeakPolarHBondContact CA-O 3.23Å; Q52-V61 HydrophobicContact CB-CB 4.5Å; Q52-V61 PolarHBondContact N-O 3.01Å; Q52-V61 PolarHBondContact O-N 3Å; A54-V61 HydrophobicContact CB-CG2 4.04Å; V61-V63 HydrophobicContact CG1-CG2 4.22Å; V61-K79 HydrophobicContact CG1-CB 3.97Å; V61-K79 HydrophobicContact CG1-CG 4.39Å; V61-T81 HydrophobicContact CG2-CG2 4.25Å
62I96.2Very high92.7Very high2 Ų271.6 Ų71.61%0.0137%0.374CS..EExtended strand (participates in β ladder)trans-94.7126172.5-55.2167.8000107.4G50 L64 K79 I80 I82 L93 I96G50-I62 WeakPolarHBondContact O-CA 3.29Å; I62-L64 HydrophobicContact CG2-CD2 4.09Å; I62-L64 HydrophobicContact CG2-CG 4.17Å; I62-K79 WeakPolarHBondContact O-CA 3.23Å; I62-I80 PolarHBondContact N-O 3.44Å; I62-I80 PolarHBondContact O-N 3.5Å; I62-I82 HydrophobicContact CD1-CD1 3.45Å; I62-I82 VanDerWaalsContact CD1-CD1 3.45Å; I62-I82 HydrophobicContact CD1-CG1 4.21Å; I62-I82 HydrophobicContact CG1-CD1 4.47Å; I62-L93 HydrophobicContact CD1-CB 4.04Å; I62-L93 HydrophobicContact CD1-CD1 3.59Å; I62-L93 HydrophobicContact CD1-CG 4.34Å; I62-L93 HydrophobicContact CG1-CD1 3.97Å; I62-L93 HydrophobicContact CG2-CD1 4.11Å; I62-I96 HydrophobicContact CD1-CD1 3.74Å
63V96.8Very high92.6Very high4 Ų473.2 Ų73.22%0.02439%0.391CS..EExtended strand (participates in β ladder)trans-108.9118.9178.5-173.10000108.7G50 V61 Y77 E78 K79G50-V63 PolarHBondContact N-O 2.77Å; G50-V63 PolarHBondContact O-N 2.72Å; V61-V63 HydrophobicContact CG1-CG2 4.22Å; V63-Y77 HydrophobicContact CG1-CD1 3.9Å; V63-Y77 HydrophobicContact CG1-CG 4.2Å; V63-E78 CarbonylContact C-O 3.56Å; V63-E78 WeakPolarHBondContact CA-O 3.37Å; V63-K79 HydrophobicContact CG2-CG 4.29Å
64L96.2Very high92.6Very high19 Ų1974.3 Ų74.310%0.09941%0.407CS..EExtended strand (participates in β ladder)trans-114.3144.4177.1-60.4177.6000109.8V49 I62 Y77 E78 I80 I96 Y102V49-L64 HydrophobicContact CB-CD2 4.38Å; V49-L64 HydrophobicContact CG1-CD2 4.26Å; V49-L64 HydrophobicContact CG2-CD2 3.9Å; I62-L64 HydrophobicContact CG2-CD2 4.09Å; I62-L64 HydrophobicContact CG2-CG 4.17Å; L64-Y77 CarbonylContact O-C 3.58Å; L64-Y77 WeakPolarHBondContact O-CA 3.36Å; L64-E78 PolarHBondContact N-O 2.93Å; L64-E78 PolarHBondContact O-N 3.36Å; L64-I80 HydrophobicContact CD1-CD1 4.19Å; L64-I96 HydrophobicContact CD1-CG2 3.87Å; L64-Y102 HydrophobicContact CD2-CD1 4.18Å; L64-Y102 HydrophobicContact CD2-CE1 3.95Å
65K95.4Very high92.6Very high19 Ų1977.9 Ų77.98%0.08343%0.428CS..EExtended strand (participates in β ladder)trans-89.7126.7174.2-161.9171.3-176.2-179.30110.2L43 H45 T48 S76 Y77 Y102L43-K65 PolarHBondContact O-NZ 3.19Å; H45-K65 PolarHBondContact O-NZ 2.89Å; T48-K65 HydrophobicContact CG2-CD 4.24Å; T48-K65 PolarHBondContact O-N 3.04Å; T48-K65 WeakPolarHBondContact OG1-CB 3.47Å; K65-S76 CarbonylContact C-O 3.58Å; K65-S76 WeakPolarHBondContact CA-O 3.14Å; K65-Y77 HydrophobicContact CB-CD1 4.15Å; K65-Y77 HydrophobicContact CB-CE1 4.07Å; K65-Y77 HydrophobicContact CD-CE1 4.05Å; K65-Y77 HydrophobicContact CG-CD1 4.21Å; K65-Y77 HydrophobicContact CG-CE1 3.91Å; K65-Y102 PolarHBondContact N-OH 3.27Å; K65-Y102 PolarHBondContact O-OH 3.48Å
66K94.3Very high92.8Very high89 Ų8973.1 Ų73.139%0.38739%0.388SS..  trans-69.4147.4178.5-64.3-171.3-177.8178.70110.3Q70 S76 E78K66-Q70 PolarHBondContact O-NE2 3.41Å; K66-S76 PolarHBondContact N-O 3.44Å; K66-E78 HydrophobicContact CG-CB 4.21Å
67R92.8Very high93.3Very high220 Ų22070 Ų7083%0.8337%0.367SS*.SBendtrans-65.6-41.9177-178.1-179.1176.5179.9-0.8111.6
68A92.5Very high93.9Very high77 Ų7772.7 Ų72.764%0.63637%0.368SS*.SBendtrans-82.5161.6175.500000111.3Q70A68-Q70 PolarHBondContact O-N 3.04Å
69G91.1Very high94.3Very high28 Ų2872.9 Ų72.929%0.28937%0.369SS..  trans71.524.3173.300000115R71 K72 S76G69-R71 PolarHBondContact O-N 2.92Å; G69-R71 VanDerWaalsContact O-N 3.12Å; G69-K72 CarbonylContact O-C 3.58Å; G69-K72 WeakPolarHBondContact O-CA 2.85Å; G69-K72 PolarHBondContact O-N 3.35Å; G69-S76 WeakPolarHBondContact O-CB 3.32Å
70Q90.1Very high94.4Very high58 Ų5875.4 Ų75.427%0.27138%0.381SS..THydrogen-bonded Turntrans-58.6-28-178.4-69.1-76.2-43.500114R46 K66 A68R46-Q70 PolarHBondContact O-NE2 2.97Å; K66-Q70 PolarHBondContact O-NE2 3.41Å; A68-Q70 PolarHBondContact O-N 3.04Å
71R92.3Very high94.4Very high239 Ų23979.5 Ų79.590%0.90241%0.406SS*.THydrogen-bonded Turntrans-94.26.5175.8-58.4-179.3-173.8168.60.6113.1G69 P73G69-R71 PolarHBondContact O-N 2.92Å; G69-R71 VanDerWaalsContact O-N 3.12Å; R71-P73 WeakPolarHBondContact O-CD 3.41Å
72K95Very high94.3Very high144 Ų14479.4 Ų79.463%0.62641%0.405SS*.  trans-118.782.5-178.5-63.2-173.6177.2-173.30108.7G69 A74 T75 S76G69-K72 CarbonylContact O-C 3.58Å; G69-K72 WeakPolarHBondContact O-CA 2.85Å; G69-K72 PolarHBondContact O-N 3.35Å; K72-A74 PolarHBondContact O-N 3.49Å; K72-A74 VanDerWaalsContact O-N 3.15Å; K72-T75 PolarHBondContact O-N 3.17Å; K72-T75 VanDerWaalsContact O-N 3.12Å; K72-S76 VanDerWaalsContact O-CB 3.32Å; K72-S76 WeakPolarHBondContact O-CB 3.04Å; K72-S76 PolarHBondContact O-N 3.16Å
73P91.8Very high94.1Very high101 Ų10184.5 Ų84.566%0.65643%0.432SS*.G310 helixtrans-53.2-40.6-171.5-28.135.7000113.5R71 T75 S76R71-P73 WeakPolarHBondContact O-CD 3.41Å; P73-T75 VanDerWaalsContact C-N 3.29Å; P73-T75 PolarHBondContact O-N 2.92Å; P73-S76 PolarHBondContact O-N 3.01Å; P73-S76 PolarHBondContact O-OG 3.05Å
74A94.5Very high93.9Very high105 Ų10590.4 Ų90.487%0.86846%0.457SS*.G310 helixtrans-56.5-36.7-179.300000114K72K72-A74 PolarHBondContact O-N 3.49Å; K72-A74 VanDerWaalsContact O-N 3.15Å
75T94.5Very high93.8Very high82 Ų8294.8 Ų94.850%0.50348%0.481SS..G310 helixtrans-111.4-0.8-175.658.30000113.6K72 P73 Y77K72-T75 PolarHBondContact O-N 3.17Å; K72-T75 VanDerWaalsContact O-N 3.12Å; P73-T75 VanDerWaalsContact C-N 3.29Å; P73-T75 PolarHBondContact O-N 2.92Å; T75-Y77 VanDerWaalsContact C-N 3.25Å; T75-Y77 PolarHBondContact O-N 3.04Å
76S94.8Very high93.6Very high3 Ų397.1 Ų97.12%0.02150%0.5CS..SBendtrans-71.5-15.3-174.366.60000114.6K65 K66 G69 K72 P73K65-S76 CarbonylContact C-O 3.58Å; K65-S76 WeakPolarHBondContact CA-O 3.14Å; K66-S76 PolarHBondContact N-O 3.44Å; G69-S76 WeakPolarHBondContact O-CB 3.32Å; K72-S76 VanDerWaalsContact O-CB 3.32Å; K72-S76 WeakPolarHBondContact O-CB 3.04Å; K72-S76 PolarHBondContact O-N 3.16Å; P73-S76 PolarHBondContact O-N 3.01Å; P73-S76 PolarHBondContact O-OG 3.05Å
77Y95.6Very high93.7Very high69 Ų69103 Ų10327%0.27152%0.519SS..EExtended strand (participates in β ladder)trans-114.7147.1-177.8-62-73.5000112.1N30 V63 L64 K65 T75N30-Y77 VanDerWaalsContact ND2-CE1 3.33Å; N30-Y77 WeakPolarHBondContact ND2-CE1 3.28Å; V63-Y77 HydrophobicContact CG1-CD1 3.9Å; V63-Y77 HydrophobicContact CG1-CG 4.2Å; L64-Y77 CarbonylContact O-C 3.58Å; L64-Y77 WeakPolarHBondContact O-CA 3.36Å; K65-Y77 HydrophobicContact CB-CD1 4.15Å; K65-Y77 HydrophobicContact CB-CE1 4.07Å; K65-Y77 HydrophobicContact CD-CE1 4.05Å; K65-Y77 HydrophobicContact CG-CD1 4.21Å; K65-Y77 HydrophobicContact CG-CE1 3.91Å; T75-Y77 VanDerWaalsContact C-N 3.25Å; T75-Y77 PolarHBondContact O-N 3.04Å
78E95.2Very high93.9Very high98 Ų9893.9 Ų93.946%0.45849%0.491SS..EExtended strand (participates in β ladder)trans-119.6131.8171.6-167.7172.2166.600108.6V63 L64 K66V63-E78 CarbonylContact C-O 3.56Å; V63-E78 WeakPolarHBondContact CA-O 3.37Å; L64-E78 PolarHBondContact N-O 2.93Å; L64-E78 PolarHBondContact O-N 3.36Å; K66-E78 HydrophobicContact CG-CB 4.21Å
79K95.6Very high94Very high152 Ų15290.3 Ų90.366%0.66146%0.462SS*.EExtended strand (participates in β ladder)trans-112.2126.7-178.3-62.3-176.8-178.2175.60108.6V61 I62 V63V61-K79 HydrophobicContact CG1-CB 3.97Å; V61-K79 HydrophobicContact CG1-CG 4.39Å; I62-K79 WeakPolarHBondContact O-CA 3.23Å; V63-K79 HydrophobicContact CG2-CG 4.29Å
80I95.3Very high94.3Very high56 Ų5690.8 Ų90.829%0.28746%0.457SS..EExtended strand (participates in β ladder)trans-118.6112.4176.9-55.9171.2000107.2I62 L64 I82I62-I80 PolarHBondContact N-O 3.44Å; I62-I80 PolarHBondContact O-N 3.5Å; L64-I80 HydrophobicContact CD1-CD1 4.19Å; I80-I82 HydrophobicContact CG2-CG1 4.36Å
81T95.5Very high94.6Very high88 Ų8889.9 Ų89.954%0.5446%0.457SS..EExtended strand (participates in β ladder)trans-86127.8176.5-54.40000109.7A54 V61A54-T81 HydrophobicContact CB-CG2 4.44Å; V61-T81 HydrophobicContact CG2-CG2 4.25Å
82I94.8Very high94.8Very high15 Ų1580.1 Ų80.18%0.07743%0.426CS..EExtended strand (participates in β ladder)trans-118.7109.1174-53.9-174.4000108.6G59 V60 I62 I80 K84 T89 I96G59-I82 WeakPolarHBondContact CA-O 3.41Å; V60-I82 PolarHBondContact N-O 3.15Å; V60-I82 PolarHBondContact O-N 3.47Å; I62-I82 HydrophobicContact CD1-CD1 3.45Å; I62-I82 VanDerWaalsContact CD1-CD1 3.45Å; I62-I82 HydrophobicContact CD1-CG1 4.21Å; I62-I82 HydrophobicContact CG1-CD1 4.47Å; I80-I82 HydrophobicContact CG2-CG1 4.36Å; I82-K84 HydrophobicContact CG2-CB 4.07Å; I82-K84 HydrophobicContact CG2-CD 4.16Å; I82-K84 HydrophobicContact CG2-CG 3.95Å; I82-T89 HydrophobicContact CB-CG2 4.28Å; I82-T89 HydrophobicContact CG2-CG2 3.94Å; I82-I96 HydrophobicContact CD1-CD1 4.35Å
83N92.8Very high94.9Very high109 Ų10973.3 Ų73.358%0.58340%0.396SS*.  trans-111.975.8171.6-168.75.9000109.2
84K92.3Very high95.2Very high127 Ų12773.5 Ų73.555%0.55238%0.384SS*.SBendtrans-130173.1178.8-63.3-176.1179.5-175.80109.5I82 A88 T89I82-K84 HydrophobicContact CG2-CB 4.07Å; I82-K84 HydrophobicContact CG2-CD 4.16Å; I82-K84 HydrophobicContact CG2-CG 3.95Å; K84-A88 HydrophobicContact CB-CB 4.08Å; K84-A88 HydrophobicContact CD-CB 4.32Å; K84-T89 PolarHBondContact O-OG1 2.93Å; K84-T89 VanDerWaalsContact O-OG1 3.05Å
85N92.7Very high95.3Very high112 Ų11272.9 Ų72.960%0.59936%0.363SS*.  trans-56.4159171.371.938.5000111.9R87 A88 T89N85-R87 PolarHBondContact O-N 2.98Å; N85-R87 PolarHBondContact OD1-N 3.05Å; N85-A88 PolarHBondContact O-N 2.8Å; N85-A88 WeakPolarHBondContact OD1-CB 3.37Å; N85-A88 PolarHBondContact OD1-N 3.47Å; N85-T89 WeakPolarHBondContact O-CB 3.34Å; N85-T89 PolarHBondContact O-N 2.71Å; N85-T89 PolarHBondContact O-OG1 2.8Å
86S92.6Very high95.3Very high68 Ų6870.5 Ų70.548%0.47635%0.346SS..Hα-helixtrans-58.7-43.8-171.258.60000113.3T89 L90S86-T89 PolarHBondContact O-N 3.26Å; S86-L90 VanDerWaalsContact O-CG 3.32Å; S86-L90 WeakPolarHBondContact O-CG 3.23Å; S86-L90 PolarHBondContact O-N 3.06Å
87R95.9Very high95.4Very high211 Ų21170.3 Ų70.380%0.79635%0.345SS*.Hα-helixtrans-65.1-46.5-179.7-174.8178.4-70.4-151.20.5111.5N85 S91N85-R87 PolarHBondContact O-N 2.98Å; N85-R87 PolarHBondContact OD1-N 3.05Å; R87-S91 WeakPolarHBondContact O-CB 3.32Å; R87-S91 PolarHBondContact O-N 3.06Å
88A96.3Very high95.4Very high30 Ų3074.8 Ų74.825%0.24836%0.362CS..Hα-helixtrans-64.3-43.917800000110.9K84 N85 L90 S91 S92K84-A88 HydrophobicContact CB-CB 4.08Å; K84-A88 HydrophobicContact CD-CB 4.32Å; N85-A88 PolarHBondContact O-N 2.8Å; N85-A88 WeakPolarHBondContact OD1-CB 3.37Å; N85-A88 PolarHBondContact OD1-N 3.47Å; A88-L90 PolarHBondContact O-N 3.44Å; A88-S91 PolarHBondContact O-N 3.25Å; A88-S91 VanDerWaalsContact O-N 3.17Å; A88-S92 WeakPolarHBondContact O-CB 3.42Å; A88-S92 PolarHBondContact O-N 2.9Å; A88-S92 PolarHBondContact O-OG 3.3Å
89T95.9Very high95.4Very high2 Ų277.2 Ų77.21%0.01237%0.371CS..Hα-helixtrans-58.9-47.8178.1-62.40000111.8V60 I82 K84 N85 S86 S91 S92 L93 L118V60-T89 HydrophobicContact CB-CG2 4.34Å; V60-T89 HydrophobicContact CG2-CG2 4.33Å; I82-T89 HydrophobicContact CB-CG2 4.28Å; I82-T89 HydrophobicContact CG2-CG2 3.94Å; K84-T89 PolarHBondContact O-OG1 2.93Å; K84-T89 VanDerWaalsContact O-OG1 3.05Å; N85-T89 WeakPolarHBondContact O-CB 3.34Å; N85-T89 PolarHBondContact O-N 2.71Å; N85-T89 PolarHBondContact O-OG1 2.8Å; S86-T89 PolarHBondContact O-N 3.26Å; T89-S91 PolarHBondContact O-N 3.17Å; T89-S92 PolarHBondContact O-N 2.76Å; T89-L93 PolarHBondContact O-N 3.34Å; T89-L118 HydrophobicContact CG2-CD1 4.2Å
90L96.9Very high95.3Very high38 Ų3875 Ų7520%0.19937%0.366CS..Hα-helixtrans-65.8-37.8176.2-67.8176.4000112.4S86 A88 R94 L111 A114S86-L90 VanDerWaalsContact O-CG 3.32Å; S86-L90 WeakPolarHBondContact O-CG 3.23Å; S86-L90 PolarHBondContact O-N 3.06Å; A88-L90 PolarHBondContact O-N 3.44Å; L90-R94 WeakPolarHBondContact O-CB 3.36Å; L90-R94 PolarHBondContact O-N 2.99Å; L90-L111 HydrophobicContact CB-CD2 4.09Å; L90-L111 HydrophobicContact CD2-CB 4.48Å; L90-L111 HydrophobicContact CD2-CD2 3.95Å; L90-L111 WeakPolarHBondContact CD2-O 3.39Å; L90-L111 WeakPolarHBondContact O-CD2 3.41Å; L90-A114 HydrophobicContact CD2-CB 3.83Å
91S97.3Very high95.2Very high38 Ų3877.1 Ų77.127%0.26638%0.378SS..Hα-helixtrans-64.2-48.1175.8-1700000111.3R87 A88 T89 L93 R94 H95R87-S91 WeakPolarHBondContact O-CB 3.32Å; R87-S91 PolarHBondContact O-N 3.06Å; A88-S91 PolarHBondContact O-N 3.25Å; A88-S91 VanDerWaalsContact O-N 3.17Å; T89-S91 PolarHBondContact O-N 3.17Å; S91-L93 PolarHBondContact O-N 3.3Å; S91-R94 WeakPolarHBondContact O-CB 3.49Å; S91-R94 PolarHBondContact O-N 3.45Å; S91-R94 VanDerWaalsContact O-N 3.16Å; S91-H95 PolarHBondContact O-N 2.95Å; S91-H95 PolarHBondContact O-ND1 3.29Å; S91-H95 PolarHBondContact OG-CE1 3.18Å; S91-H95 VanDerWaalsContact OG-CE1 3.26Å; S91-H95 PolarHBondContact OG-ND1 3.31Å
92S96.6Very high95.2Very high34 Ų3474.4 Ų74.424%0.23836%0.358CS..Hα-helixtrans-59.1-47.4177.7-65.70000111.6A88 T89 R94 H95 I96A88-S92 WeakPolarHBondContact O-CB 3.42Å; A88-S92 PolarHBondContact O-N 2.9Å; A88-S92 PolarHBondContact O-OG 3.3Å; T89-S92 PolarHBondContact O-N 2.76Å; S92-R94 VanDerWaalsContact C-N 3.3Å; S92-R94 PolarHBondContact O-N 2.91Å; S92-H95 PolarHBondContact O-N 3.27Å; S92-H95 VanDerWaalsContact O-N 3.14Å; S92-I96 VanDerWaalsContact O-CG1 3.29Å; S92-I96 WeakPolarHBondContact O-CG1 3.41Å; S92-I96 PolarHBondContact O-N 2.94Å
93L96.5Very high95.2Very high2 Ų275.3 Ų75.31%0.0136%0.361CS..Hα-helixtrans-59.2-40.9175.5175.558000112.2V51 I62 T89 S91 I97 A110 L111 A114V51-L93 HydrophobicContact CG2-CD2 4.23Å; I62-L93 HydrophobicContact CD1-CB 4.04Å; I62-L93 HydrophobicContact CD1-CD1 3.59Å; I62-L93 HydrophobicContact CD1-CG 4.34Å; I62-L93 HydrophobicContact CG1-CD1 3.97Å; I62-L93 HydrophobicContact CG2-CD1 4.11Å; T89-L93 PolarHBondContact O-N 3.34Å; S91-L93 PolarHBondContact O-N 3.3Å; L93-I97 HydrophobicContact CD1-CD1 3.88Å; L93-I97 HydrophobicContact CD1-CG1 4.39Å; L93-I97 HydrophobicContact CG-CD1 4.37Å; L93-I97 PolarHBondContact O-N 3.3Å; L93-A110 HydrophobicContact CD1-CB 4.37Å; L93-A110 HydrophobicContact CD2-CB 4.08Å; L93-A110 HydrophobicContact CG-CB 4.48Å; L93-L111 HydrophobicContact CB-CD2 4.29Å; L93-L111 HydrophobicContact CD2-CD2 4.16Å; L93-L111 HydrophobicContact CG-CD2 4.21Å; L93-A114 HydrophobicContact CD2-CB 3.73Å
94R97.1Very high95.3Very high105 Ų10575.6 Ų75.640%0.39636%0.357SS..Hα-helixtrans-62-43.4176-173.4-173.3-61.4151.2-1.2111.6L90 S91 S92 R98 L111L90-R94 WeakPolarHBondContact O-CB 3.36Å; L90-R94 PolarHBondContact O-N 2.99Å; S91-R94 WeakPolarHBondContact O-CB 3.49Å; S91-R94 PolarHBondContact O-N 3.45Å; S91-R94 VanDerWaalsContact O-N 3.16Å; S92-R94 VanDerWaalsContact C-N 3.3Å; S92-R94 PolarHBondContact O-N 2.91Å; R94-R98 VanDerWaalsContact O-CB 3.23Å; R94-R98 WeakPolarHBondContact O-CB 3.48Å; R94-R98 PolarHBondContact O-N 3.24Å; R94-L111 HydrophobicContact CB-CD1 4.41Å; R94-L111 HydrophobicContact CB-CD2 4.21Å; R94-L111 HydrophobicContact CG-CD1 4.47Å
95H96.9Very high95.4Very high91 Ų9172.6 Ų72.642%0.42135%0.347SS..Hα-helixtrans-66.8-46.3179.6-73.998.5000111.5S91 S92 I97 R98 K99S91-H95 PolarHBondContact O-N 2.95Å; S91-H95 PolarHBondContact O-ND1 3.29Å; S91-H95 PolarHBondContact OG-CE1 3.18Å; S91-H95 VanDerWaalsContact OG-CE1 3.26Å; S91-H95 PolarHBondContact OG-ND1 3.31Å; S92-H95 PolarHBondContact O-N 3.27Å; S92-H95 VanDerWaalsContact O-N 3.14Å; H95-I97 PolarHBondContact O-N 2.95Å; H95-R98 PolarHBondContact O-N 3.09Å; H95-K99 HydrophobicContact CB-CG 4.44Å; H95-K99 VanDerWaalsContact O-CB 3.26Å; H95-K99 WeakPolarHBondContact O-CB 3.42Å; H95-K99 PolarHBondContact O-N 2.86Å
96I95.8Very high95.6Very high32 Ų3267.5 Ų67.516%0.16432%0.319CS..Hα-helixtrans-52.2-45.4176.3-70.1165000110.9I62 L64 I82 S92 N100I62-I96 HydrophobicContact CD1-CD1 3.74Å; L64-I96 HydrophobicContact CD1-CG2 3.87Å; I82-I96 HydrophobicContact CD1-CD1 4.35Å; S92-I96 VanDerWaalsContact O-CG1 3.29Å; S92-I96 WeakPolarHBondContact O-CG1 3.41Å; S92-I96 PolarHBondContact O-N 2.94Å; I96-N100 VanDerWaalsContact O-CB 3.27Å; I96-N100 WeakPolarHBondContact O-CB 3.45Å; I96-N100 PolarHBondContact O-ND2 3.16Å
97I95.6Very high95.8Very high0 Ų068.2 Ų68.20%031%0.312CS..Hα-helixtrans-74.5-48.4-179.6-69.5173.1000112V49 L93 H95 N101 Y102 R107 A110V49-I97 HydrophobicContact CG1-CD1 4.14Å; L93-I97 HydrophobicContact CD1-CD1 3.88Å; L93-I97 HydrophobicContact CD1-CG1 4.39Å; L93-I97 HydrophobicContact CG-CD1 4.37Å; L93-I97 PolarHBondContact O-N 3.3Å; H95-I97 PolarHBondContact O-N 2.95Å; I97-N101 PolarHBondContact O-N 3.33Å; I97-Y102 WeakPolarHBondContact CG2-O 3.27Å; I97-Y102 PolarHBondContact O-N 3.28Å; I97-R107 HydrophobicContact CG2-CB 3.74Å; I97-R107 HydrophobicContact CG2-CG 4.14Å; I97-A110 HydrophobicContact CD1-CB 3.77Å
98R95.7Very high95.8Very high162 Ų16261.8 Ų61.861%0.61129%0.292SS*.Hα-helixtrans-75.6-47.8-170.9-178.3178.7165.6179.2-3.2112.2R94 H95 N101R94-R98 VanDerWaalsContact O-CB 3.23Å; R94-R98 WeakPolarHBondContact O-CB 3.48Å; R94-R98 PolarHBondContact O-N 3.24Å; H95-R98 PolarHBondContact O-N 3.09Å; R98-N101 PolarHBondContact O-N 2.76Å
99K95.2Very high95.9Very high150 Ų15060.9 Ų60.965%0.65228%0.284SS*.Hα-helixtrans-71.9-37.4-174.9-66.7-74-172.5168.50111.5H95 N101H95-K99 HydrophobicContact CB-CG 4.44Å; H95-K99 VanDerWaalsContact O-CB 3.26Å; H95-K99 WeakPolarHBondContact O-CB 3.42Å; H95-K99 PolarHBondContact O-N 2.86Å; K99-N101 PolarHBondContact O-N 3Å
100N93.6Very high95.9Very high106 Ų10660.8 Ų60.857%0.56728%0.284SS*.THydrogen-bonded Turntrans-83.96.3177.8-57-14.4000113.3I96 Y102I96-N100 VanDerWaalsContact O-CB 3.27Å; I96-N100 WeakPolarHBondContact O-CB 3.45Å; I96-N100 PolarHBondContact O-ND2 3.16Å; N100-Y102 PolarHBondContact O-N 3.48Å; N100-Y102 VanDerWaalsContact O-N 3.09Å
101N93.9Very high96Very high100 Ų10059.6 Ų59.654%0.53528%0.277SS..THydrogen-bonded Turntrans50.136.4-176-61-57.7000113.1I97 R98 K99 K104I97-N101 PolarHBondContact O-N 3.33Å; R98-N101 PolarHBondContact O-N 2.76Å; K99-N101 PolarHBondContact O-N 3Å; N101-K104 WeakPolarHBondContact OD1-CE 3.26Å; N101-K104 PolarHBondContact OD1-NZ 3.32Å
102Y94.3Very high96Very high31 Ų3165.7 Ų65.712%0.12229%0.294CS..  trans-100.796.3-170.8-163.6-80.4000110.7K47 T48 V49 L64 K65 I97 N100 K104K47-Y102 VanDerWaalsContact CA-OH 3.31Å; K47-Y102 WeakPolarHBondContact CA-OH 3.23Å; K47-Y102 HydrophobicContact CB-CE1 3.88Å; K47-Y102 HydrophobicContact CB-CE2 4.03Å; K47-Y102 HydrophobicContact CD-CD2 3.96Å; K47-Y102 HydrophobicContact CD-CE2 3.86Å; K47-Y102 HydrophobicContact CD-CG 4.47Å; K47-Y102 HydrophobicContact CG-CD2 4.37Å; K47-Y102 HydrophobicContact CG-CE2 3.75Å; T48-Y102 PolarHBondContact N-OH 2.97Å; T48-Y102 WeakPolarHBondContact O-CE1 3.45Å; T48-Y102 PolarHBondContact O-OH 2.86Å; V49-Y102 HydrophobicContact CG2-CD1 3.69Å; V49-Y102 HydrophobicContact CG2-CE1 3.73Å; L64-Y102 HydrophobicContact CD2-CD1 4.18Å; L64-Y102 HydrophobicContact CD2-CE1 3.95Å; K65-Y102 PolarHBondContact N-OH 3.27Å; K65-Y102 PolarHBondContact O-OH 3.48Å; I97-Y102 WeakPolarHBondContact CG2-O 3.27Å; I97-Y102 PolarHBondContact O-N 3.28Å; N100-Y102 PolarHBondContact O-N 3.48Å; N100-Y102 VanDerWaalsContact O-N 3.09Å; Y102-K104 PolarHBondContact O-N 3.36Å
103R94.5Very high96Very high33 Ų3367.8 Ų67.813%0.12530%0.297CS..  trans49.960.2179.3-74.6-152.660.1178.80.6113.5R39 K47 V49 D105 L106R39-R103 PolarHBondContact O-NH1 3.18Å; R39-R103 PolarHBondContact O-NH2 3.49Å; K47-R103 HydrophobicContact CB-CG 3.91Å; K47-R103 WeakPolarHBondContact O-CD 3.39Å; V49-R103 HydrophobicContact CG2-CB 4.48Å; R103-D105 VanDerWaalsContact C-OD1 3.3Å; R103-D105 WeakPolarHBondContact CA-OD1 3.5Å; R103-D105 WeakPolarHBondContact CB-OD1 3.43Å; R103-D105 IonicContact CZ-OD1 3.71Å; R103-D105 IonicContact CZ-OD2 3.9Å; R103-D105 IonicContact NE-OD1 3.77Å; R103-D105 PolarHBondContact NE-OD1 3.49Å; R103-D105 IonicContact NE-OD2 3.2Å; R103-D105 IonicContact NH2-OD1 2.77Å; R103-D105 IonicContact NH2-OD2 3.66Å; R103-D105 PolarHBondContact NH2-OD2 2.89Å; R103-D105 PolarHBondContact O-N 3.29Å; R103-L106 HydrophobicContact CB-CG 4.47Å; R103-L106 VanDerWaalsContact CZ-CG 3.41Å; R103-L106 VanDerWaalsContact NH2-CD2 3.27Å; R103-L106 PolarHBondContact O-N 2.78Å
104K95.6Very high96Very high116 Ų11667.7 Ų67.750%0.50430%0.297SS..G310 helixtrans-53.6-27.9177.9-64.8-178-176.9174.20112.7N101 Y102 L106 R107N101-K104 WeakPolarHBondContact OD1-CE 3.26Å; N101-K104 PolarHBondContact OD1-NZ 3.32Å; Y102-K104 PolarHBondContact O-N 3.36Å; K104-L106 VanDerWaalsContact C-N 3.26Å; K104-L106 PolarHBondContact O-N 2.88Å; K104-R107 VanDerWaalsContact O-CB 3.23Å; K104-R107 WeakPolarHBondContact O-CB 3.29Å; K104-R107 PolarHBondContact O-N 2.77Å
105D95.3Very high96Very high64 Ų6464.9 Ų64.934%0.34229%0.293SS..G310 helixtrans-61.6-30.3176.474.5-62.7000113R39 R103R39-D105 IonicContact NE-OD2 3.15Å; R39-D105 PolarHBondContact NE-OD2 3.39Å; R39-D105 VanDerWaalsContact NE-OD2 3.15Å; R39-D105 PolarHBondContact NH2-O 3.2Å; R103-D105 VanDerWaalsContact C-OD1 3.3Å; R103-D105 WeakPolarHBondContact CA-OD1 3.5Å; R103-D105 WeakPolarHBondContact CB-OD1 3.43Å; R103-D105 IonicContact CZ-OD1 3.71Å; R103-D105 IonicContact CZ-OD2 3.9Å; R103-D105 IonicContact NE-OD1 3.77Å; R103-D105 PolarHBondContact NE-OD1 3.49Å; R103-D105 IonicContact NE-OD2 3.2Å; R103-D105 IonicContact NH2-OD1 2.77Å; R103-D105 IonicContact NH2-OD2 3.66Å; R103-D105 PolarHBondContact NH2-OD2 2.89Å; R103-D105 PolarHBondContact O-N 3.29Å
106L96.1Very high95.9Very high4 Ų463.4 Ų63.42%0.02130%0.297CS..G310 helixtrans-89.5-8.9180-69.1-170.9000114.2L32 R39 F40 V49 R103 K104 M108 A109 A110L32-L106 HydrophobicContact CD1-CB 3.84Å; L32-L106 HydrophobicContact CD1-CD1 3.87Å; L32-L106 HydrophobicContact CD1-CD2 4.25Å; L32-L106 HydrophobicContact CD1-CG 4.2Å; R39-L106 HydrophobicContact CG-CD2 4.48Å; F40-L106 HydrophobicContact CD1-CD2 3.61Å; F40-L106 HydrophobicContact CE1-CD2 3.74Å; V49-L106 HydrophobicContact CB-CD1 4.34Å; R103-L106 HydrophobicContact CB-CG 4.47Å; R103-L106 VanDerWaalsContact CZ-CG 3.41Å; R103-L106 VanDerWaalsContact NH2-CD2 3.27Å; R103-L106 PolarHBondContact O-N 2.78Å; K104-L106 VanDerWaalsContact C-N 3.26Å; K104-L106 PolarHBondContact O-N 2.88Å; L106-M108 VanDerWaalsContact C-N 3.3Å; L106-M108 PolarHBondContact O-N 3.36Å; L106-M108 VanDerWaalsContact O-N 3.15Å; L106-A109 WeakPolarHBondContact O-CB 3.42Å; L106-A109 PolarHBondContact O-N 3.21Å; L106-A110 PolarHBondContact O-N 2.8Å
107R96.3Very high95.9Very high84 Ų8462.7 Ų62.732%0.31729%0.293SS..Hα-helixtrans-45.3-52.9-174.4-177.7177.960.491.1-3.1113I97 K104 A110 L111I97-R107 HydrophobicContact CG2-CB 3.74Å; I97-R107 HydrophobicContact CG2-CG 4.14Å; K104-R107 VanDerWaalsContact O-CB 3.23Å; K104-R107 WeakPolarHBondContact O-CB 3.29Å; K104-R107 PolarHBondContact O-N 2.77Å; R107-A110 PolarHBondContact O-N 3.18Å; R107-L111 HydrophobicContact CG-CD1 4.19Å; R107-L111 VanDerWaalsContact O-CG 3.29Å; R107-L111 WeakPolarHBondContact O-CG 3.32Å; R107-L111 PolarHBondContact O-N 3.04Å
108M97.2Very high95.8Very high76 Ų7663.9 Ų63.937%0.37430%0.299SS..Hα-helixtrans-74.3-26.1-175.9-72.5-52.5-58.100113.5L106 L111 R112L106-M108 VanDerWaalsContact C-N 3.3Å; L106-M108 PolarHBondContact O-N 3.36Å; L106-M108 VanDerWaalsContact O-N 3.15Å; M108-L111 HydrophobicContact SD-CD1 3.95Å; M108-R112 WeakPolarHBondContact O-CG 3.04Å; M108-R112 PolarHBondContact O-N 3.48Å
109A97.3Very high95.6Very high11 Ų1162 Ų629%0.09130%0.299CS..Hα-helixtrans-72.5-42.2173.100000110.5L32 K33 F40 L106 R112 R113L32-A109 HydrophobicContact CB-CB 4.13Å; L32-A109 HydrophobicContact CD1-CB 3.99Å; K33-A109 HydrophobicContact CG-CB 4.35Å; F40-A109 HydrophobicContact CE1-CB 4.39Å; L106-A109 WeakPolarHBondContact O-CB 3.42Å; L106-A109 PolarHBondContact O-N 3.21Å; A109-R112 PolarHBondContact O-N 3.33Å; A109-R113 PolarHBondContact O-N 3.09Å
110A97.2Very high95.5Very high0 Ų059.1 Ų59.10%030%0.298CS..Hα-helixtrans-63.3-45.4178.200000111.4L32 V49 V51 L93 I97 L106 R107 R112 R113 A114L32-A110 HydrophobicContact CD1-CB 3.94Å; L32-A110 HydrophobicContact CD2-CB 4.38Å; V49-A110 HydrophobicContact CG1-CB 4.18Å; V51-A110 HydrophobicContact CG2-CB 4.02Å; L93-A110 HydrophobicContact CD1-CB 4.37Å; L93-A110 HydrophobicContact CD2-CB 4.08Å; L93-A110 HydrophobicContact CG-CB 4.48Å; I97-A110 HydrophobicContact CD1-CB 3.77Å; L106-A110 PolarHBondContact O-N 2.8Å; R107-A110 PolarHBondContact O-N 3.18Å; A110-R112 PolarHBondContact O-N 2.96Å; A110-R113 PolarHBondContact O-N 2.99Å; A110-A114 WeakPolarHBondContact O-CB 3.33Å; A110-A114 PolarHBondContact O-N 2.92Å
111L97.4Very high95.4Very high13 Ų1356.7 Ų56.77%0.06828%0.283CS..Hα-helixtrans-60.8-43.3176.9-70.6172000112.6L90 L93 R94 R107 M108 A114 S115L90-L111 HydrophobicContact CB-CD2 4.09Å; L90-L111 HydrophobicContact CD2-CB 4.48Å; L90-L111 HydrophobicContact CD2-CD2 3.95Å; L90-L111 WeakPolarHBondContact CD2-O 3.39Å; L90-L111 WeakPolarHBondContact O-CD2 3.41Å; L93-L111 HydrophobicContact CB-CD2 4.29Å; L93-L111 HydrophobicContact CD2-CD2 4.16Å; L93-L111 HydrophobicContact CG-CD2 4.21Å; R94-L111 HydrophobicContact CB-CD1 4.41Å; R94-L111 HydrophobicContact CB-CD2 4.21Å; R94-L111 HydrophobicContact CG-CD1 4.47Å; R107-L111 HydrophobicContact CG-CD1 4.19Å; R107-L111 VanDerWaalsContact O-CG 3.29Å; R107-L111 WeakPolarHBondContact O-CG 3.32Å; R107-L111 PolarHBondContact O-N 3.04Å; M108-L111 HydrophobicContact SD-CD1 3.95Å; L111-A114 PolarHBondContact O-N 3.14Å; L111-S115 WeakPolarHBondContact O-CB 3.34Å; L111-S115 PolarHBondContact O-N 3.38Å
112R97.6Very high95.1Very high165 Ų16557.8 Ų57.862%0.62328%0.283SS*.Hα-helixtrans-65.1-41.8177.5-75.9-176.217795.4-5.6111.8M108 A109 A110 S115 A116M108-R112 WeakPolarHBondContact O-CG 3.04Å; M108-R112 PolarHBondContact O-N 3.48Å; A109-R112 PolarHBondContact O-N 3.33Å; A110-R112 PolarHBondContact O-N 2.96Å; R112-S115 PolarHBondContact O-N 2.82Å; R112-A116 WeakPolarHBondContact O-CB 3.43Å; R112-A116 PolarHBondContact O-N 3.17Å
113R96.6Very high94.7Very high79 Ų7961.9 Ų61.930%0.29831%0.313SS..Hα-helixtrans-63.8-44.1176-171.7171.1-175.4112.1-3.3112N31 L32 V51 A109 A110 S115 A116 I117N31-R113 PolarHBondContact O-NH1 3.22Å; L32-R113 WeakPolarHBondContact O-CD 3.42Å; L32-R113 PolarHBondContact O-NH1 3.35Å; V51-R113 HydrophobicContact CB-CB 4.43Å; V51-R113 HydrophobicContact CB-CG 4.19Å; V51-R113 HydrophobicContact CG1-CG 4.46Å; V51-R113 PolarHBondContact O-NE 3.24Å; A109-R113 PolarHBondContact O-N 3.09Å; A110-R113 PolarHBondContact O-N 2.99Å; R113-S115 VanDerWaalsContact C-N 3.33Å; R113-S115 PolarHBondContact O-N 3.27Å; R113-A116 PolarHBondContact O-N 3.44Å; R113-I117 HydrophobicContact CG-CD1 4.17Å; R113-I117 WeakPolarHBondContact O-CG1 3.31Å; R113-I117 PolarHBondContact O-N 3.48Å
114A96.6Very high94.2Very high0 Ų066.5 Ų66.50%035%0.345CS..Hα-helixtrans-60.6-43.5174.900000111.6V51 V60 L90 L93 A110 L111 A116 I117 L118V51-A114 HydrophobicContact CG1-CB 3.88Å; V60-A114 HydrophobicContact CG1-CB 4.43Å; L90-A114 HydrophobicContact CD2-CB 3.83Å; L93-A114 HydrophobicContact CD2-CB 3.73Å; A110-A114 WeakPolarHBondContact O-CB 3.33Å; A110-A114 PolarHBondContact O-N 2.92Å; L111-A114 PolarHBondContact O-N 3.14Å; A114-A116 VanDerWaalsContact C-N 3.33Å; A114-A116 PolarHBondContact O-N 3.36Å; A114-I117 PolarHBondContact O-N 3.46Å; A114-L118 WeakPolarHBondContact O-CG 3.31Å; A114-L118 PolarHBondContact O-N 3.3Å
115S96.3Very high93.4Very high45 Ų4566.9 Ų66.932%0.31536%0.357SS..Hα-helixtrans-62.3-39.8175.7-171.30000112.3L111 R112 R113 L118 M119L111-S115 WeakPolarHBondContact O-CB 3.34Å; L111-S115 PolarHBondContact O-N 3.38Å; R112-S115 PolarHBondContact O-N 2.82Å; R113-S115 VanDerWaalsContact C-N 3.33Å; R113-S115 PolarHBondContact O-N 3.27Å; S115-L118 PolarHBondContact O-N 2.83Å; S115-M119 WeakPolarHBondContact O-CB 3.43Å; S115-M119 WeakPolarHBondContact O-CG 3.37Å; S115-M119 PolarHBondContact O-N 3.05Å
116A95.7Very high92.6Very high61 Ų6169.6 Ų69.650%0.50438%0.375SS..Hα-helixtrans-64.8-40.6176.900000111.7R112 R113 A114 M119 S120R112-A116 WeakPolarHBondContact O-CB 3.43Å; R112-A116 PolarHBondContact O-N 3.17Å; R113-A116 PolarHBondContact O-N 3.44Å; A114-A116 VanDerWaalsContact C-N 3.33Å; A114-A116 PolarHBondContact O-N 3.36Å; A116-M119 WeakPolarHBondContact O-CB 3.45Å; A116-M119 PolarHBondContact O-N 3.19Å; A116-S120 PolarHBondContact O-N 3.19Å
117I95Very high91.4Very high17 Ų1778.7 Ų78.79%0.08742%0.415CS..Hα-helixtrans-65-46.2175.2-68.7161.1000111V51 P53 V60 R113 A114 M119 S120 Q121V51-I117 HydrophobicContact CG1-CD1 3.86Å; P53-I117 HydrophobicContact CB-CG2 4Å; V60-I117 HydrophobicContact CG2-CB 4.38Å; V60-I117 HydrophobicContact CG2-CG2 3.95Å; R113-I117 HydrophobicContact CG-CD1 4.17Å; R113-I117 WeakPolarHBondContact O-CG1 3.31Å; R113-I117 PolarHBondContact O-N 3.48Å; A114-I117 PolarHBondContact O-N 3.46Å; I117-M119 PolarHBondContact O-N 3.03Å; I117-S120 WeakPolarHBondContact CA-OG 3.42Å; I117-S120 PolarHBondContact O-N 3.38Å; I117-S120 VanDerWaalsContact O-N 3.14Å; I117-S120 PolarHBondContact O-OG 2.69Å; I117-Q121 HydrophobicContact CG2-CG 4.47Å; I117-Q121 VanDerWaalsContact O-CG 3.28Å; I117-Q121 WeakPolarHBondContact O-CG 3.41Å; I117-Q121 PolarHBondContact O-N 3.48Å
118L94.2Very high90.2Very high24 Ų2484 Ų8413%0.12644%0.44CS..Hα-helixtrans-63.4-31.8177.1-70.2170.9000112.2V60 T89 A114 S115 K122V60-L118 HydrophobicContact CG2-CD2 3.94Å; V60-L118 HydrophobicContact CG2-CG 3.94Å; T89-L118 HydrophobicContact CG2-CD1 4.2Å; A114-L118 WeakPolarHBondContact O-CG 3.31Å; A114-L118 PolarHBondContact O-N 3.3Å; S115-L118 PolarHBondContact O-N 2.83Å; L118-K122 WeakPolarHBondContact O-CG 3.45Å
119M92.5Very high89Confident122 Ų12292 Ų9260%0.60147%0.466SS*.Hα-helixtrans-69.1-43.8172.2-74.4-91.8-172.300111.3S115 A116 I117 Q121 K122S115-M119 WeakPolarHBondContact O-CB 3.43Å; S115-M119 WeakPolarHBondContact O-CG 3.37Å; S115-M119 PolarHBondContact O-N 3.05Å; A116-M119 WeakPolarHBondContact O-CB 3.45Å; A116-M119 PolarHBondContact O-N 3.19Å; I117-M119 PolarHBondContact O-N 3.03Å; M119-Q121 PolarHBondContact O-N 3.37Å; M119-K122 WeakPolarHBondContact O-CB 3.47Å; M119-K122 PolarHBondContact O-N 2.98Å
120S91.8Very high87.5Confident91 Ų91103 Ų10364%0.63651%0.505SS*.Hα-helixtrans-68.5-23.2-179.468.70000113.5A116 I117A116-S120 PolarHBondContact O-N 3.19Å; I117-S120 WeakPolarHBondContact CA-OG 3.42Å; I117-S120 PolarHBondContact O-N 3.38Å; I117-S120 VanDerWaalsContact O-N 3.14Å; I117-S120 PolarHBondContact O-OG 2.69Å
121Q91.5Very high86.3Confident54 Ų54108.3 Ų108.325%0.25254%0.542SS..THydrogen-bonded Turntrans-80.9-14.3176.1-71.7174.1-1100113.6G57 G59 I117 M119G57-Q121 VanDerWaalsContact O-CG 3.23Å; G57-Q121 WeakPolarHBondContact O-CG 3.32Å; G57-Q121 PolarHBondContact O-NE2 2.85Å; G59-Q121 PolarHBondContact O-NE2 2.85Å; G59-Q121 PolarHBondContact O-OE1 2.84Å; I117-Q121 HydrophobicContact CG2-CG 4.47Å; I117-Q121 VanDerWaalsContact O-CG 3.28Å; I117-Q121 WeakPolarHBondContact O-CG 3.41Å; I117-Q121 PolarHBondContact O-N 3.48Å; M119-Q121 PolarHBondContact O-N 3.37Å
122K88.2Confident84.9Confident124 Ų124117.4 Ų117.454%0.53958%0.581SS.*SBendtrans-71.5145.3176.9-73.2177.2179.4-172.50109.9L118 M119 V124L118-K122 WeakPolarHBondContact O-CG 3.45Å; M119-K122 WeakPolarHBondContact O-CB 3.47Å; M119-K122 PolarHBondContact O-N 2.98Å; K122-V124 PolarHBondContact O-N 2.86Å
123P85.1Confident83.6Confident116 Ų116114.1 Ų114.175%0.75359%0.59SS**  trans-57.8131.3175.424.2-32.7000109.8V125P123-V125 PolarHBondContact O-N 3.3Å; P123-V125 VanDerWaalsContact O-N 3.13Å
124V84.1Confident82.2Confident131 Ų131114.9 Ų114.979%0.79461%0.612SS**  trans-71.9108.5177.2179.30000107.7K122 V126K122-V124 PolarHBondContact O-N 2.86Å; V124-V126 PolarHBondContact O-N 2.69Å; V124-V126 VanDerWaalsContact O-N 3.13Å
125V79.9Confident80.6Confident124 Ų124124.8 Ų124.875%0.75266%0.656SS**  trans-73.7104.4171.9-1770000107.5P123 K127P123-V125 PolarHBondContact O-N 3.3Å; P123-V125 VanDerWaalsContact O-N 3.13Å; V125-K127 PolarHBondContact O-N 2.81Å
126V77.1Confident78.9Confident120 Ų120129.4 Ų129.473%0.72768%0.682SS**  trans-65.7100.5172.7-176.60000107.5V124 K128V124-V126 PolarHBondContact O-N 2.69Å; V124-V126 VanDerWaalsContact O-N 3.13Å; V126-K128 PolarHBondContact O-N 2.8Å
127K71.3Confident77.3Confident195 Ų195134.7 Ų134.785%0.84873%0.726SS**  trans-67.4100.8171.6-74-173.7177.8-1780107.7V125 R129V125-K127 PolarHBondContact O-N 2.81Å; K127-R129 PolarHBondContact O-N 2.86Å
128K71.8Confident76.4Confident195 Ų195140.6 Ų140.685%0.84876%0.758SS**  trans-55.4125.2168.7-73-175.5177.5-178.80107.8V126 R130V126-K128 PolarHBondContact O-N 2.8Å; K128-R130 PolarHBondContact O-N 3.12Å; K128-R130 VanDerWaalsContact O-N 3.13Å
129R71.4Confident75.4Confident244 Ų244146.7 Ų146.792%0.92179%0.791SS**  trans-54.6120.2170-115.3176.7145.7-170.7-6.2106.5K127 S131K127-R129 PolarHBondContact O-N 2.86Å; R129-S131 PolarHBondContact O-N 3.12Å
130R67.3Low74.5Confident242 Ų242148.1 Ų148.191%0.91380%0.802SS**  trans-59.7111.3167.9-85-178.7166.9178-5.1106.5K128 K132K128-R130 PolarHBondContact O-N 3.12Å; K128-R130 VanDerWaalsContact O-N 3.13Å; R130-K132 PolarHBondContact O-N 3.25Å
131S71.9Confident73.5Confident112 Ų112151.5 Ų151.578%0.78381%0.811SS**PPolyproline II helixtrans-60.6126.9164.541.20000106.8R129 A133R129-S131 PolarHBondContact O-N 3.12Å; S131-A133 PolarHBondContact O-N 3.15Å
132K67.4Low72.3Confident205 Ų205157.6 Ų157.689%0.89185%0.846SS**PPolyproline II helixtrans-65.5127.7166-77.8-175.6175-178.40106.1R130 A134R130-K132 PolarHBondContact O-N 3.25Å; K132-A134 PolarHBondContact O-N 3.36Å
133A69.6Low71.3Confident96 Ų96159.8 Ų159.879%0.79387%0.867SS**PPolyproline II helixtrans-54.8133.5168.400000108.1S131 K135S131-A133 PolarHBondContact O-N 3.15Å; A133-K135 PolarHBondContact O-N 3.03Å
134A68.4Low70.3Confident94 Ų94162.9 Ų162.978%0.77788%0.875SS**PPolyproline II helixtrans-57.9128.5174.500000108.1K132 T136K132-A134 PolarHBondContact O-N 3.36Å; A134-T136 PolarHBondContact O-N 3.41Å
135K61.9Low69.2Low209 Ų209165.4 Ų165.491%0.90988%0.881SS**  trans-65.3114.6168.2-88.1-178.5169.3-174.90106.8A133A133-K135 PolarHBondContact O-N 3.03Å
136T61.5Low68.3Low142 Ų142168.8 Ų168.887%0.87189%0.892SS**  trans-62.8129.616216.40000108.3A134A134-T136 PolarHBondContact O-N 3.41Å
137A60.6Low67.5Low172 Ų172173.3 Ų173.3100%1.42191%0.907SS**  trans-88.80168.100000109.2

Retrieved 137 of 137 residues in 34.7 ms (Link to these results)

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