A0A087XUK3_POEFO Loading...

Large ribosomal subunit protein eL33

AlphaFold DB (M4AI06), UniProt , Accession A0A087XUK3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 110 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
1M46.4Very low87.8Confident234 Ų23484.6 Ų84.6100%1.15346%0.455SS*.  0139.30-67.1-156.7-177.400109G3M1-G3 PolarHBondContact O-N 3.23Å
2P67.7Low88.7Confident139 Ų13982.4 Ų82.490%0.90345%0.447SS*.  trans-62.5124.3176.324.6-30.5000110.1
3G86.2Confident89.4Confident65 Ų6577 Ų7767%0.6742%0.422SS*.  trans-79.7165.5-173.900000114.4M1M1-G3 PolarHBondContact O-N 3.23Å
4R88.3Confident90.1Very high156 Ų15672.6 Ų72.659%0.58940%0.396SS*.  trans-81.6115.8175.4-175.9177.170.3-142.83.8110.5W6R4-W6 HydrophobicContact CG-CD2 4.1Å; R4-W6 HydrophobicContact CG-CG 4.24Å; R4-W6 HydrophobicContact CG-CZ2 4.31Å; R4-W6 WeakPolarHBondContact CG-O 3.27Å; R4-W6 PolarHBondContact NE-O 3.18Å
5L92.9Very high90.6Very high138 Ų13871.7 Ų71.772%0.72339%0.387SS*.  trans-100.124.1-179.2-62.7173.7000114.5
6W96.1Very high91.1Very high46 Ų4676.6 Ų76.617%0.17440%0.398CS..EExtended strand (participates in β ladder)trans-145.9146.4-179.254.2-89.3000111.2R4 K8 R100 R102 V103 M104R4-W6 HydrophobicContact CG-CD2 4.1Å; R4-W6 HydrophobicContact CG-CG 4.24Å; R4-W6 HydrophobicContact CG-CZ2 4.31Å; R4-W6 WeakPolarHBondContact CG-O 3.27Å; R4-W6 PolarHBondContact NE-O 3.18Å; W6-K8 HydrophobicContact CE3-CG 4.29Å; W6-K8 HydrophobicContact CH2-CG 4.1Å; W6-K8 HydrophobicContact CZ3-CB 4.13Å; W6-K8 HydrophobicContact CZ3-CG 3.53Å; W6-R100 HydrophobicContact CH2-CG 4.3Å; W6-R100 HydrophobicContact CZ3-CG 4.13Å; W6-R102 HydrophobicContact CB-CB 4.26Å; W6-R102 HydrophobicContact CD2-CB 3.76Å; W6-R102 HydrophobicContact CD2-CG 3.66Å; W6-R102 HydrophobicContact CE3-CB 3.67Å; W6-R102 HydrophobicContact CE3-CG 3.58Å; W6-R102 HydrophobicContact CG-CB 4.01Å; W6-R102 HydrophobicContact CG-CG 4.29Å; W6-R102 HydrophobicContact CH2-CG 4.05Å; W6-R102 HydrophobicContact CZ2-CG 4.11Å; W6-R102 HydrophobicContact CZ3-CB 4.29Å; W6-R102 HydrophobicContact CZ3-CG 3.77Å; W6-V103 CarbonylContact C-O 3.41Å; W6-V103 WeakPolarHBondContact CA-O 3.44Å; W6-V103 WeakPolarHBondContact CB-O 3.46Å; W6-M104 HydrophobicContact CB-SD 3.92Å
7S96.3Very high91.4Very high24 Ų2474.4 Ų74.417%0.16840%0.398CS..EExtended strand (participates in β ladder)trans-83.5139.4173.3-62.60000110.3Y42 V103S7-Y42 WeakPolarHBondContact OG-CE1 3.38Å; S7-Y42 PolarHBondContact OG-OH 3.13Å; S7-Y42 VanDerWaalsContact OG-OH 3.05Å; S7-V103 PolarHBondContact N-O 2.75Å; S7-V103 PolarHBondContact O-N 3.25Å
8K97.5Very high91.7Very high48 Ų4877.7 Ų77.721%0.20942%0.415CS..EExtended strand (participates in β ladder)trans-77.4139.6179-61.3168.3-175.9170.30109.9W6 E31W6-K8 HydrophobicContact CE3-CG 4.29Å; W6-K8 HydrophobicContact CH2-CG 4.1Å; W6-K8 HydrophobicContact CZ3-CB 4.13Å; W6-K8 HydrophobicContact CZ3-CG 3.53Å; K8-E31 HydrophobicContact CB-CB 4.04Å; K8-E31 VanDerWaalsContact CB-OE2 3.3Å; K8-E31 WeakPolarHBondContact CB-OE2 3.4Å; K8-E31 VanDerWaalsContact CD-CD 3.43Å; K8-E31 WeakPolarHBondContact CD-OE1 3.47Å; K8-E31 WeakPolarHBondContact CD-OE2 3.46Å; K8-E31 IonicContact NZ-OE1 2.82Å; K8-E31 PolarHBondContact NZ-OE1 2.83Å; K8-E31 IonicContact NZ-OE2 3.48Å; K8-E31 PolarHBondContact NZ-OE2 3.32Å; K8-E31 WeakPolarHBondContact O-CB 3.28Å; K8-E31 PolarHBondContact O-N 2.81Å
9A97.9Very high92Very high1 Ų184.7 Ų84.71%0.00844%0.435CS..EExtended strand (participates in β ladder)trans-140159.3169.300000109.8L28 K29 L30 R100 I101 V103A9-L28 HydrophobicContact CB-CB 4.44Å; A9-K29 CarbonylContact C-O 3.58Å; A9-K29 WeakPolarHBondContact CA-O 3.22Å; A9-L30 HydrophobicContact CB-CD2 3.88Å; A9-R100 CarbonylContact O-C 3.59Å; A9-R100 WeakPolarHBondContact O-CA 3.41Å; A9-I101 HydrophobicContact CB-CB 4.27Å; A9-I101 PolarHBondContact N-O 3.22Å; A9-I101 PolarHBondContact O-N 3.45Å; A9-I101 VanDerWaalsContact O-O 3.13Å; A9-V103 HydrophobicContact CB-CG2 3.73Å
10I98.4Very high92.3Very high80 Ų8086.4 Ų86.441%0.4145%0.445SS..EExtended strand (participates in β ladder)trans-115.7131.8175.1-62.1173.8000108.1T12 L28 K29I10-T12 HydrophobicContact CG2-CG2 4.47Å; I10-T12 PolarHBondContact O-N 3.41Å; I10-L28 CarbonylContact O-C 3.56Å; I10-L28 VanDerWaalsContact O-CA 3.29Å; I10-L28 WeakPolarHBondContact O-CA 3.48Å; I10-K29 PolarHBondContact N-O 3.44Å; I10-K29 PolarHBondContact O-N 3.46Å
11F98.6Very high92.6Very high0 Ų086 Ų860%044%0.441CS..EExtended strand (participates in β ladder)trans-76105.3168.8175.3-140.2000109G13 Y14 A26 L27 L28 L92 A96 I97 G98 H99 I101F11-G13 WeakPolarHBondContact CE2-O 3.09Å; F11-Y14 HydrophobicContact CE1-CE1 4.31Å; F11-Y14 HydrophobicContact CE2-CD1 4.3Å; F11-Y14 AromaticContact CZ-CD1 3.72Å; F11-Y14 HydrophobicContact CZ-CD1 3.72Å; F11-Y14 HydrophobicContact CZ-CD2 4.4Å; F11-Y14 AromaticContact CZ-CE1 3.57Å; F11-Y14 HydrophobicContact CZ-CE1 3.57Å; F11-Y14 HydrophobicContact CZ-CE2 4.27Å; F11-Y14 HydrophobicContact CZ-CG 4.18Å; F11-Y14 AromaticContact CZ-CZ 3.88Å; F11-A26 HydrophobicContact CD2-CB 3.85Å; F11-A26 HydrophobicContact CE2-CB 3.49Å; F11-A26 VanDerWaalsContact CE2-CB 3.49Å; F11-A26 HydrophobicContact CZ-CB 4.39Å; F11-L27 WeakPolarHBondContact CD2-O 3.32Å; F11-L28 HydrophobicContact CB-CD2 3.96Å; F11-L28 HydrophobicContact CD2-CD2 3.99Å; F11-L28 HydrophobicContact CG-CD2 4.39Å; F11-L92 HydrophobicContact CB-CD1 4.34Å; F11-L92 HydrophobicContact CD1-CB 4.31Å; F11-L92 HydrophobicContact CD1-CD1 3.7Å; F11-L92 HydrophobicContact CD2-CD1 3.86Å; F11-L92 HydrophobicContact CE1-CB 3.82Å; F11-L92 HydrophobicContact CE1-CD1 3.92Å; F11-L92 HydrophobicContact CE2-CD1 4.03Å; F11-L92 HydrophobicContact CG-CD1 3.71Å; F11-L92 HydrophobicContact CZ-CB 4.09Å; F11-L92 HydrophobicContact CZ-CD1 4.09Å; F11-A96 VanDerWaalsContact CD1-C 3.46Å; F11-A96 HydrophobicContact CD1-CB 3.79Å; F11-A96 WeakPolarHBondContact CD1-O 3.34Å; F11-A96 HydrophobicContact CE1-CB 4.25Å; F11-I97 HydrophobicContact CD1-CG1 4.04Å; F11-I97 HydrophobicContact CE1-CG1 3.62Å; F11-I97 HydrophobicContact CZ-CG1 4.13Å; F11-I97 CarbonylContact O-C 3.52Å; F11-I97 WeakPolarHBondContact O-CA 3.3Å; F11-G98 PolarHBondContact O-N 2.9Å; F11-H99 PolarHBondContact N-O 3.49Å; F11-I101 HydrophobicContact CB-CD1 4.26Å; F11-I101 HydrophobicContact CB-CG1 3.79Å
12T97.9Very high95.1Very high58 Ų5880.9 Ų80.936%0.35641%0.409SS..EExtended strand (participates in β ladder)trans-84.8-20.1-174.757.50000112.6I10 L27 K29 M83I10-T12 HydrophobicContact CG2-CG2 4.47Å; I10-T12 PolarHBondContact O-N 3.41Å; T12-L27 PolarHBondContact N-O 3.02Å; T12-L27 WeakPolarHBondContact OG1-CB 3.48Å; T12-L27 PolarHBondContact OG1-O 2.84Å; T12-K29 HydrophobicContact CG2-CB 3.68Å; T12-M83 HydrophobicContact CG2-CE 4.24Å; T12-M83 VanDerWaalsContact OG1-CE 3.29Å; T12-M83 WeakPolarHBondContact OG1-CE 3.28Å
13G98.1Very high96.5Very high12 Ų1278 Ų7812%0.12438%0.384CS..EExtended strand (participates in β ladder)trans146.3178.4-176.900000111.6F11 L27F11-G13 WeakPolarHBondContact CE2-O 3.09Å; G13-L27 WeakPolarHBondContact O-CA 3.02Å; G13-L27 VanDerWaalsContact O-CB 3.28Å; G13-L27 WeakPolarHBondContact O-CB 3.49Å; G13-L27 PolarHBondContact O-N 3.25Å
14Y98.5Very high97.1Very high15 Ų1579.4 Ų79.46%0.05937%0.373CS..EExtended strand (participates in β ladder)trans-81.9162.1179.6-50.6-81.8000111.7F11 R16 Q21 E23 T25 L92 P93 A94 I97F11-Y14 HydrophobicContact CE1-CE1 4.31Å; F11-Y14 HydrophobicContact CE2-CD1 4.3Å; F11-Y14 AromaticContact CZ-CD1 3.72Å; F11-Y14 HydrophobicContact CZ-CD1 3.72Å; F11-Y14 HydrophobicContact CZ-CD2 4.4Å; F11-Y14 AromaticContact CZ-CE1 3.57Å; F11-Y14 HydrophobicContact CZ-CE1 3.57Å; F11-Y14 HydrophobicContact CZ-CE2 4.27Å; F11-Y14 HydrophobicContact CZ-CG 4.18Å; F11-Y14 AromaticContact CZ-CZ 3.88Å; Y14-R16 PolarHBondContact O-N 3.3Å; Y14-Q21 HydrophobicContact CD2-CG 4.05Å; Y14-Q21 HydrophobicContact CG-CG 4.24Å; Y14-E23 VanDerWaalsContact CD1-CA 3.45Å; Y14-E23 HydrophobicContact CD1-CB 4.01Å; Y14-E23 HydrophobicContact CD1-CG 4.35Å; Y14-E23 VanDerWaalsContact CD1-O 3.28Å; Y14-E23 WeakPolarHBondContact CD1-O 3.24Å; Y14-E23 HydrophobicContact CD2-CG 4.43Å; Y14-E23 HydrophobicContact CE1-CB 4.07Å; Y14-E23 HydrophobicContact CE1-CG 4.33Å; Y14-E23 HydrophobicContact CE2-CG 4.41Å; Y14-E23 HydrophobicContact CG-CB 4.4Å; Y14-E23 HydrophobicContact CG-CG 4.35Å; Y14-T25 CarbonylContact C-O 3.59Å; Y14-T25 WeakPolarHBondContact CA-O 3.39Å; Y14-L92 WeakPolarHBondContact CE1-O 3.38Å; Y14-L92 PolarHBondContact OH-O 3.48Å; Y14-P93 VanDerWaalsContact OH-C 3.29Å; Y14-A94 HydrophobicContact CE2-CB 4.41Å; Y14-A94 VanDerWaalsContact OH-CA 3.25Å; Y14-A94 WeakPolarHBondContact OH-CA 3.27Å; Y14-A94 PolarHBondContact OH-N 3Å; Y14-I97 HydrophobicContact CE2-CD1 4.21Å
15K98.1Very high97.5Very high59 Ų5972.3 Ų72.326%0.25735%0.347SS..EExtended strand (participates in β ladder)trans-57.9123.8165.3-179.4-170.6174.9-169.60107.7R22 T25K15-R22 WeakPolarHBondContact O-CA 3.27Å; K15-R22 WeakPolarHBondContact O-CB 3.37Å; K15-R22 PolarHBondContact O-N 2.92Å; K15-T25 HydrophobicContact CB-CG2 4.17Å; K15-T25 PolarHBondContact N-O 2.73Å
16R98.3Very high97.8Very high150 Ų15066 Ų6657%0.56631%0.314SS*.EExtended strand (participates in β ladder)trans-143.5155178.961.5178-69.2176.7-2.3111.4Y14 L18 N20 Q21Y14-R16 PolarHBondContact O-N 3.3Å; R16-L18 PolarHBondContact NH2-O 3.42Å; R16-N20 CarbonylContact C-O 3.18Å; R16-N20 VanDerWaalsContact CA-O 3.26Å; R16-N20 WeakPolarHBondContact CA-O 3.5Å; R16-N20 WeakPolarHBondContact CB-O 3.45Å; R16-Q21 HydrophobicContact CB-CB 4.32Å; R16-Q21 HydrophobicContact CB-CG 4.24Å
17G97.1Very high97.9Very high39 Ų3964.5 Ų64.540%0.40231%0.31SS..  trans-87.9-162.1154.300000109.7N20G17-N20 PolarHBondContact N-O 3.32Å
18L97.3Very high98Very high134 Ų13463.4 Ų63.470%0.70230%0.302SS*.SBendtrans-61-49.7179-175.561.2000111.8R16R16-L18 PolarHBondContact NH2-O 3.42Å
19R97.3Very high98.1Very high211 Ų21163.8 Ų63.880%0.79630%0.303SS*.SBendtrans-114.4-14.4-173.6-58.6-177.7179.395.71.6114.8
20N98Very high98Very high119 Ų11963.8 Ų63.864%0.63630%0.303SS*.  trans-113.9125.5-175.9-68.2-41.7000111.1R16 G17R16-N20 CarbonylContact C-O 3.18Å; R16-N20 VanDerWaalsContact CA-O 3.26Å; R16-N20 WeakPolarHBondContact CA-O 3.5Å; R16-N20 WeakPolarHBondContact CB-O 3.45Å; G17-N20 PolarHBondContact N-O 3.32Å
21Q97.9Very high97.9Very high77 Ų7765 Ų6536%0.3631%0.307SS..EExtended strand (participates in β ladder)trans-101.9148.2176.7-167172-86.400110.9Y14 R16 E23Y14-Q21 HydrophobicContact CD2-CG 4.05Å; Y14-Q21 HydrophobicContact CG-CG 4.24Å; R16-Q21 HydrophobicContact CB-CB 4.32Å; R16-Q21 HydrophobicContact CB-CG 4.24Å; Q21-E23 WeakPolarHBondContact CB-OE1 3.42Å; Q21-E23 VanDerWaalsContact CG-OE1 3.3Å; Q21-E23 WeakPolarHBondContact CG-OE1 3.35Å; Q21-E23 PolarHBondContact NE2-OE1 2.85Å
22R98.1Very high97.7Very high127 Ų12767.1 Ų67.148%0.47933%0.329SS..EExtended strand (participates in β ladder)trans-130.389.1178.1-71-175.5176.9101.5-7.3109.1K15 H24 T25K15-R22 WeakPolarHBondContact O-CA 3.27Å; K15-R22 WeakPolarHBondContact O-CB 3.37Å; K15-R22 PolarHBondContact O-N 2.92Å; R22-H24 VanDerWaalsContact C-N 3.26Å; R22-H24 PolarHBondContact O-N 3.34Å; R22-T25 PolarHBondContact O-N 2.78Å
23E97.9Very high97.6Very high80 Ų8064.7 Ų64.737%0.37431%0.314SS..EExtended strand (participates in β ladder)trans-65.2-28.7-168.4-65.869.7-15200113.1Y14 Q21 T25Y14-E23 VanDerWaalsContact CD1-CA 3.45Å; Y14-E23 HydrophobicContact CD1-CB 4.01Å; Y14-E23 HydrophobicContact CD1-CG 4.35Å; Y14-E23 VanDerWaalsContact CD1-O 3.28Å; Y14-E23 WeakPolarHBondContact CD1-O 3.24Å; Y14-E23 HydrophobicContact CD2-CG 4.43Å; Y14-E23 HydrophobicContact CE1-CB 4.07Å; Y14-E23 HydrophobicContact CE1-CG 4.33Å; Y14-E23 HydrophobicContact CE2-CG 4.41Å; Y14-E23 HydrophobicContact CG-CB 4.4Å; Y14-E23 HydrophobicContact CG-CG 4.35Å; Q21-E23 WeakPolarHBondContact CB-OE1 3.42Å; Q21-E23 VanDerWaalsContact CG-OE1 3.3Å; Q21-E23 WeakPolarHBondContact CG-OE1 3.35Å; Q21-E23 PolarHBondContact NE2-OE1 2.85Å; E23-T25 PolarHBondContact O-N 3.39Å
24H98.1Very high97.5Very high94 Ų9472 Ų7244%0.43534%0.339SS..EExtended strand (participates in β ladder)trans-62.9-3.8177.777.5-56.1000114.3R22 K87 N91R22-H24 VanDerWaalsContact C-N 3.26Å; R22-H24 PolarHBondContact O-N 3.34Å; H24-K87 PolarHBondContact CD2-NZ 3.15Å; H24-K87 PolarHBondContact NE2-NZ 2.84Å; H24-K87 VanDerWaalsContact NE2-NZ 3.2Å; H24-K87 WeakPolarHBondContact O-CD 3.4Å; H24-K87 WeakPolarHBondContact O-CE 3.42Å; H24-K87 PolarHBondContact O-NZ 2.9Å; H24-N91 WeakPolarHBondContact CA-OD1 3.23Å
25T98.4Very high97.3Very high7 Ų773 Ų734%0.04335%0.348CS..EExtended strand (participates in β ladder)trans-132.9122173.7-48.90000110.2Y14 K15 R22 E23 R85 K87Y14-T25 CarbonylContact C-O 3.59Å; Y14-T25 WeakPolarHBondContact CA-O 3.39Å; K15-T25 HydrophobicContact CB-CG2 4.17Å; K15-T25 PolarHBondContact N-O 2.73Å; R22-T25 PolarHBondContact O-N 2.78Å; E23-T25 PolarHBondContact O-N 3.39Å; T25-R85 HydrophobicContact CG2-CB 3.91Å; T25-R85 HydrophobicContact CG2-CG 4.27Å; T25-K87 VanDerWaalsContact OG1-CE 3.28Å; T25-K87 WeakPolarHBondContact OG1-CE 3.42Å; T25-K87 PolarHBondContact OG1-NZ 3.13Å
26A98.6Very high97.2Very high4 Ų475.4 Ų75.43%0.03336%0.356CS..EExtended strand (participates in β ladder)trans-91.6143.5176.400000111.2F11 L28 R85 A86 F88 L92F11-A26 HydrophobicContact CD2-CB 3.85Å; F11-A26 HydrophobicContact CE2-CB 3.49Å; F11-A26 VanDerWaalsContact CE2-CB 3.49Å; F11-A26 HydrophobicContact CZ-CB 4.39Å; A26-L28 HydrophobicContact CB-CD2 4.42Å; A26-R85 CarbonylContact O-C 3.57Å; A26-R85 WeakPolarHBondContact O-CA 3.22Å; A26-A86 PolarHBondContact N-O 3.11Å; A26-A86 PolarHBondContact O-N 3Å; A26-F88 HydrophobicContact CB-CD2 4.1Å; A26-F88 HydrophobicContact CB-CE2 3.89Å; A26-L92 HydrophobicContact CB-CD1 3.98Å
27L98.4Very high97Very high16 Ų1674.9 Ų74.98%0.08436%0.364CS..EExtended strand (participates in β ladder)trans-98.8124.9167.8-57.7-178.1000108.8F11 T12 G13 H78 M83 V84 R85F11-L27 WeakPolarHBondContact CD2-O 3.32Å; T12-L27 PolarHBondContact N-O 3.02Å; T12-L27 WeakPolarHBondContact OG1-CB 3.48Å; T12-L27 PolarHBondContact OG1-O 2.84Å; G13-L27 WeakPolarHBondContact O-CA 3.02Å; G13-L27 VanDerWaalsContact O-CB 3.28Å; G13-L27 WeakPolarHBondContact O-CB 3.49Å; G13-L27 PolarHBondContact O-N 3.25Å; L27-H78 HydrophobicContact CD2-CB 4.28Å; L27-H78 VanDerWaalsContact CD2-CD2 3.44Å; L27-H78 WeakPolarHBondContact CD2-CD2 3.47Å; L27-M83 HydrophobicContact CB-CE 3.98Å; L27-M83 HydrophobicContact CD1-CE 4.44Å; L27-V84 WeakPolarHBondContact CA-O 3.38Å; L27-R85 HydrophobicContact CD2-CG 3.93Å
28L98.4Very high96.9Very high0 Ų077.1 Ų77.10%036%0.364CS..EExtended strand (participates in β ladder)trans-116132.9178.1-51-178.1000109.4A9 I10 F11 A26 M83 V84 A86 F88 I101A9-L28 HydrophobicContact CB-CB 4.44Å; I10-L28 CarbonylContact O-C 3.56Å; I10-L28 VanDerWaalsContact O-CA 3.29Å; I10-L28 WeakPolarHBondContact O-CA 3.48Å; F11-L28 HydrophobicContact CB-CD2 3.96Å; F11-L28 HydrophobicContact CD2-CD2 3.99Å; F11-L28 HydrophobicContact CG-CD2 4.39Å; A26-L28 HydrophobicContact CB-CD2 4.42Å; L28-M83 WeakPolarHBondContact O-CA 3.08Å; L28-V84 HydrophobicContact CB-CG2 3.74Å; L28-V84 HydrophobicContact CD1-CG2 4.44Å; L28-V84 HydrophobicContact CG-CG2 4.42Å; L28-V84 PolarHBondContact N-O 3.13Å; L28-V84 PolarHBondContact O-N 3.16Å; L28-A86 HydrophobicContact CD1-CB 3.53Å; L28-A86 HydrophobicContact CG-CB 3.94Å; L28-F88 HydrophobicContact CD1-CZ 4.49Å; L28-I101 HydrophobicContact CD1-CG2 3.93Å; L28-I101 HydrophobicContact CD2-CB 4.31Å; L28-I101 HydrophobicContact CD2-CG1 3.77Å; L28-I101 HydrophobicContact CD2-CG2 4.45Å
29K97.9Very high96.9Very high56 Ų5670.8 Ų70.824%0.24333%0.331CS..EExtended strand (participates in β ladder)trans-94.9116.3167.2179.660.8171.7161.60108.1A9 I10 T12 C33 S81 M83A9-K29 CarbonylContact C-O 3.58Å; A9-K29 WeakPolarHBondContact CA-O 3.22Å; I10-K29 PolarHBondContact N-O 3.44Å; I10-K29 PolarHBondContact O-N 3.46Å; T12-K29 HydrophobicContact CG2-CB 3.68Å; K29-C33 PolarHBondContact NZ-O 2.91Å; K29-S81 PolarHBondContact NZ-O 3Å; K29-M83 HydrophobicContact CB-CG 4.48Å; K29-M83 HydrophobicContact CD-CG 3.82Å
30L97.1Very high96.8Very high2 Ų264.9 Ų64.91%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-78.1136.3176-60.7173.9000109.2A9 C33 Y42 V84 V103A9-L30 HydrophobicContact CB-CD2 3.88Å; L30-C33 HydrophobicContact CB-CB 3.86Å; L30-C33 HydrophobicContact CD1-CB 4.38Å; L30-Y42 HydrophobicContact CD1-CD1 4.33Å; L30-Y42 HydrophobicContact CD1-CD2 3.5Å; L30-Y42 VanDerWaalsContact CD1-CD2 3.5Å; L30-Y42 HydrophobicContact CD1-CE2 4.11Å; L30-Y42 HydrophobicContact CD1-CG 3.6Å; L30-Y42 HydrophobicContact CD2-CD1 4.48Å; L30-Y42 HydrophobicContact CD2-CG 4.5Å; L30-V84 HydrophobicContact CD1-CG1 3.58Å; L30-V84 HydrophobicContact CD1-CG2 4.38Å; L30-V84 HydrophobicContact CD2-CG2 4.29Å; L30-V84 HydrophobicContact CG-CG1 4.13Å; L30-V84 HydrophobicContact CG-CG2 4.2Å; L30-V103 HydrophobicContact CD2-CB 4.47Å; L30-V103 HydrophobicContact CD2-CG2 3.77Å
31E96.3Very high96.7Very high105 Ų10563.1 Ų63.149%0.49130%0.302SS..THydrogen-bonded Turntrans-72.5129.6173.7-172.5170.5138.100109.2K8 C33K8-E31 HydrophobicContact CB-CB 4.04Å; K8-E31 VanDerWaalsContact CB-OE2 3.3Å; K8-E31 WeakPolarHBondContact CB-OE2 3.4Å; K8-E31 VanDerWaalsContact CD-CD 3.43Å; K8-E31 WeakPolarHBondContact CD-OE1 3.47Å; K8-E31 WeakPolarHBondContact CD-OE2 3.46Å; K8-E31 IonicContact NZ-OE1 2.82Å; K8-E31 PolarHBondContact NZ-OE1 2.83Å; K8-E31 IonicContact NZ-OE2 3.48Å; K8-E31 PolarHBondContact NZ-OE2 3.32Å; K8-E31 WeakPolarHBondContact O-CB 3.28Å; K8-E31 PolarHBondContact O-N 2.81Å; E31-C33 VanDerWaalsContact C-N 3.3Å; E31-C33 PolarHBondContact O-N 2.79Å
32G94.3Very high96.6Very high45 Ų4560.9 Ų60.946%0.46429%0.291SS..THydrogen-bonded Turntrans80.31.7-178.200000115.4
33C95.5Very high96.6Very high6 Ų656.9 Ų56.94%0.04128%0.278CS..  trans-105.8121170.5-55.30000111K29 L30 E31 E38 Y42K29-C33 PolarHBondContact NZ-O 2.91Å; L30-C33 HydrophobicContact CB-CB 3.86Å; L30-C33 HydrophobicContact CD1-CB 4.38Å; E31-C33 VanDerWaalsContact C-N 3.3Å; E31-C33 PolarHBondContact O-N 2.79Å; C33-E38 VanDerWaalsContact CA-OE2 3.22Å; C33-E38 WeakPolarHBondContact CA-OE2 3.03Å; C33-E38 HydrophobicContact CB-CB 4.36Å; C33-Y42 WeakPolarHBondContact SG-CE2 3.4Å
34Y95.4Very high96.5Very high167 Ų16753.9 Ų53.966%0.65527%0.269SS*.  trans-122.5-18.8-176.8-56.6-79.4000112.9E38 S81Y34-E38 PolarHBondContact N-OE2 3.39Å; Y34-S81 CarbonylContact O-C 3.53Å; Y34-S81 WeakPolarHBondContact O-CA 3.31Å
35S95.9Very high96.5Very high35 Ų3549.4 Ų49.425%0.24525%0.248CC..SBendtrans-112.5165175.471.30000112.2D37 E38 N80 G82S35-D37 VanDerWaalsContact C-N 3.33Å; S35-E38 PolarHBondContact N-OE2 3.38Å; S35-E38 WeakPolarHBondContact OG-CG 3.34Å; S35-E38 PolarHBondContact OG-N 2.81Å; S35-E38 PolarHBondContact OG-OE1 2.98Å; S35-N80 CarbonylContact C-O 3.53Å; S35-G82 WeakPolarHBondContact O-CA 3.41Å; S35-G82 PolarHBondContact O-N 3.41Å
36R95.3Very high96.5Very high110 Ų11053.7 Ų53.742%0.41526%0.264SS..SBendtrans-68.5-34.1175.1-174.6-178179.393.8-5.5111.9V39 A77 G79 N80R36-V39 VanDerWaalsContact O-CB 3.28Å; R36-V39 WeakPolarHBondContact O-CB 3.35Å; R36-V39 PolarHBondContact O-N 3.25Å; R36-A77 HydrophobicContact CG-CB 4.05Å; R36-G79 PolarHBondContact NH1-O 2.94Å; R36-G79 VanDerWaalsContact NH1-O 3.14Å; R36-N80 PolarHBondContact N-O 3.15Å
37D94.4Very high96.5Very high139 Ų13953.5 Ų53.574%0.74326%0.262SS*.G310 helixtrans-72.7-34.5-172.5-54.7-36.4000111S35 V39 D40S35-D37 VanDerWaalsContact C-N 3.33Å; D37-V39 PolarHBondContact O-N 2.96Å; D37-V39 VanDerWaalsContact O-N 3.13Å; D37-D40 PolarHBondContact O-N 2.86Å
38E94.8Very high96.5Very high85 Ų8552.8 Ų52.840%0.39726%0.258SS..G310 helixtrans-61.7-19.5172.5-72.2156-144.300113.9C33 Y34 S35 D40C33-E38 VanDerWaalsContact CA-OE2 3.22Å; C33-E38 WeakPolarHBondContact CA-OE2 3.03Å; C33-E38 HydrophobicContact CB-CB 4.36Å; Y34-E38 PolarHBondContact N-OE2 3.39Å; S35-E38 PolarHBondContact N-OE2 3.38Å; S35-E38 WeakPolarHBondContact OG-CG 3.34Å; S35-E38 PolarHBondContact OG-N 2.81Å; S35-E38 PolarHBondContact OG-OE1 2.98Å; E38-D40 VanDerWaalsContact C-N 3.29Å; E38-D40 PolarHBondContact O-N 3.15Å
39V96.3Very high96.5Very high1 Ų153.7 Ų53.71%0.00626%0.262CS..G310 helixtrans-71-25.3-179.6168.90000112.1R36 D37 F41 Y42 L43 A77 V84R36-V39 VanDerWaalsContact O-CB 3.28Å; R36-V39 WeakPolarHBondContact O-CB 3.35Å; R36-V39 PolarHBondContact O-N 3.25Å; D37-V39 PolarHBondContact O-N 2.96Å; D37-V39 VanDerWaalsContact O-N 3.13Å; V39-F41 VanDerWaalsContact C-N 3.25Å; V39-F41 PolarHBondContact O-N 2.78Å; V39-F41 VanDerWaalsContact O-N 3.17Å; V39-Y42 WeakPolarHBondContact O-CA 3.14Å; V39-Y42 WeakPolarHBondContact O-CB 3.3Å; V39-Y42 PolarHBondContact O-N 2.79Å; V39-L43 HydrophobicContact CG1-CD2 3.75Å; V39-L43 HydrophobicContact CG1-CG 4.13Å; V39-L43 PolarHBondContact O-N 3.3Å; V39-A77 HydrophobicContact CB-CB 4.22Å; V39-A77 HydrophobicContact CG1-CB 3.81Å; V39-A77 HydrophobicContact CG2-CB 4.45Å; V39-V84 HydrophobicContact CB-CG1 4.22Å; V39-V84 HydrophobicContact CG1-CG1 3.35Å; V39-V84 HydrophobicContact CG2-CG1 3.87Å
40D95.4Very high96.5Very high88 Ų8853 Ų5347%0.47126%0.262SS..G310 helixtrans-56.2-40.1-169.4-173.759.8000112.8D37 E38 Y42 L43 R109D37-D40 PolarHBondContact O-N 2.86Å; E38-D40 VanDerWaalsContact C-N 3.29Å; E38-D40 PolarHBondContact O-N 3.15Å; D40-Y42 PolarHBondContact O-N 3.38Å; D40-Y42 VanDerWaalsContact O-N 3.16Å; D40-L43 WeakPolarHBondContact O-CB 3.32Å; D40-L43 PolarHBondContact O-N 2.96Å; D40-R109 PolarHBondContact O-NH2 3.33Å; D40-R109 IonicContact OD1-NH2 3.98Å
41F95.7Very high96.5Very high81 Ų8156.5 Ų56.536%0.35528%0.276SS..G310 helixtrans-52.6-40.3174.9175.2-98.3000113V39 K45 L105 V110V39-F41 VanDerWaalsContact C-N 3.25Å; V39-F41 PolarHBondContact O-N 2.78Å; V39-F41 VanDerWaalsContact O-N 3.17Å; F41-K45 WeakPolarHBondContact O-CE 3.43Å; F41-K45 PolarHBondContact O-NZ 2.9Å; F41-L105 HydrophobicContact CE1-CD2 4.05Å; F41-L105 HydrophobicContact CZ-CD2 4.16Å; F41-V110 HydrophobicContact CD2-CG2 3.77Å; F41-V110 HydrophobicContact CE2-CG2 3.65Å
42Y97Very high96.5Very high30 Ų3059.6 Ų59.612%0.11829%0.288CS..G310 helixtrans-83.4-12.4-176.6-66-76.8000113.6S7 L30 C33 V39 D40 G44 K45 V74 V103S7-Y42 WeakPolarHBondContact OG-CE1 3.38Å; S7-Y42 PolarHBondContact OG-OH 3.13Å; S7-Y42 VanDerWaalsContact OG-OH 3.05Å; L30-Y42 HydrophobicContact CD1-CD1 4.33Å; L30-Y42 HydrophobicContact CD1-CD2 3.5Å; L30-Y42 VanDerWaalsContact CD1-CD2 3.5Å; L30-Y42 HydrophobicContact CD1-CE2 4.11Å; L30-Y42 HydrophobicContact CD1-CG 3.6Å; L30-Y42 HydrophobicContact CD2-CD1 4.48Å; L30-Y42 HydrophobicContact CD2-CG 4.5Å; C33-Y42 WeakPolarHBondContact SG-CE2 3.4Å; V39-Y42 WeakPolarHBondContact O-CA 3.14Å; V39-Y42 WeakPolarHBondContact O-CB 3.3Å; V39-Y42 PolarHBondContact O-N 2.79Å; D40-Y42 PolarHBondContact O-N 3.38Å; D40-Y42 VanDerWaalsContact O-N 3.16Å; Y42-G44 PolarHBondContact O-N 3Å; Y42-K45 VanDerWaalsContact O-CB 3.29Å; Y42-K45 WeakPolarHBondContact O-CB 3.44Å; Y42-K45 WeakPolarHBondContact O-CG 3.28Å; Y42-K45 PolarHBondContact O-N 2.9Å; Y42-K45 VanDerWaalsContact O-N 3.13Å; Y42-V74 VanDerWaalsContact O-CB 3.28Å; Y42-V74 WeakPolarHBondContact O-CB 3.39Å; Y42-V74 WeakPolarHBondContact O-CG1 3.35Å; Y42-V103 HydrophobicContact CD1-CG1 3.75Å; Y42-V103 HydrophobicContact CE1-CG1 4.37Å
43L96.9Very high96.7Very high43 Ų4358.8 Ų58.823%0.22528%0.277CS..THydrogen-bonded Turntrans-63.1129.2178.2-64.5-176.1000110.7V39 D40 K45 V74 R109V39-L43 HydrophobicContact CG1-CD2 3.75Å; V39-L43 HydrophobicContact CG1-CG 4.13Å; V39-L43 PolarHBondContact O-N 3.3Å; D40-L43 WeakPolarHBondContact O-CB 3.32Å; D40-L43 PolarHBondContact O-N 2.96Å; L43-K45 VanDerWaalsContact C-N 3.25Å; L43-K45 PolarHBondContact O-N 2.81Å; L43-V74 HydrophobicContact CD2-CG1 4.24Å; L43-R109 PolarHBondContact O-NH2 2.81Å; L43-R109 VanDerWaalsContact O-NH2 3.15Å
44G97.3Very high96.8Very high17 Ų1767.8 Ų67.818%0.17532%0.315CS..THydrogen-bonded Turntrans82.4-8.7-178.700000115.3Y42 K73 V74 P107Y42-G44 PolarHBondContact O-N 3Å; G44-K73 VanDerWaalsContact O-CE 3.24Å; G44-K73 WeakPolarHBondContact O-CE 3.49Å; G44-V74 WeakPolarHBondContact CA-O 3.34Å; G44-V74 PolarHBondContact N-O 2.88Å; G44-P107 WeakPolarHBondContact O-CD 3.21Å
45K98.1Very high96.9Very high1 Ų167.5 Ų67.50%0.00432%0.317CS..  trans-65.2145.4178.8-63.9-64.7-174.1-78.50111.7F41 Y42 L43 K73 V74 V103 M104 L105 Y106 P107F41-K45 WeakPolarHBondContact O-CE 3.43Å; F41-K45 PolarHBondContact O-NZ 2.9Å; Y42-K45 VanDerWaalsContact O-CB 3.29Å; Y42-K45 WeakPolarHBondContact O-CB 3.44Å; Y42-K45 WeakPolarHBondContact O-CG 3.28Å; Y42-K45 PolarHBondContact O-N 2.9Å; Y42-K45 VanDerWaalsContact O-N 3.13Å; L43-K45 VanDerWaalsContact C-N 3.25Å; L43-K45 PolarHBondContact O-N 2.81Å; K45-K73 WeakPolarHBondContact O-CA 3.41Å; K45-V74 PolarHBondContact O-N 2.87Å; K45-V103 HydrophobicContact CB-CG1 4.02Å; K45-M104 WeakPolarHBondContact CB-O 3.29Å; K45-L105 WeakPolarHBondContact CD-O 3.49Å; K45-L105 WeakPolarHBondContact CE-O 3.44Å; K45-Y106 WeakPolarHBondContact CA-O 3.41Å; K45-P107 VanDerWaalsContact CD-O 3.27Å; K45-P107 WeakPolarHBondContact CD-O 3.22Å; K45-P107 VanDerWaalsContact CE-O 3.27Å; K45-P107 WeakPolarHBondContact CE-O 3.18Å; K45-P107 PolarHBondContact NZ-O 3.23Å
46R98.3Very high96.9Very high97 Ų9770.5 Ų70.537%0.36633%0.331SS..EExtended strand (participates in β ladder)trans-72.8142.8174.3-73-167.664.4179.13.6110.3W71 G72 M104 Y106R46-W71 VanDerWaalsContact NH2-CD2 3.33Å; R46-G72 WeakPolarHBondContact CA-O 3.29Å; R46-M104 HydrophobicContact CB-CB 4.43Å; R46-M104 HydrophobicContact CB-CG 4.45Å; R46-M104 WeakPolarHBondContact O-CB 3.44Å; R46-M104 PolarHBondContact O-N 2.73Å; R46-Y106 HydrophobicContact CB-CD2 4.43Å; R46-Y106 HydrophobicContact CB-CE2 4.11Å; R46-Y106 HydrophobicContact CG-CD2 4.38Å; R46-Y106 HydrophobicContact CG-CE2 4.19Å; R46-Y106 PolarHBondContact N-O 3.45Å
47C97.9Very high96.9Very high0 Ų067.5 Ų67.50%033%0.325CS..EExtended strand (participates in β ladder)trans-126.8154.3174.659.90000110.9W71 G72 K73 F88 I101 R102 V103C47-W71 CarbonylContact O-C 3.59Å; C47-G72 PolarHBondContact N-O 2.78Å; C47-G72 PolarHBondContact O-N 2.78Å; C47-K73 PolarHBondContact SG-N 2.84Å; C47-K73 VanDerWaalsContact SG-N 3.44Å; C47-F88 HydrophobicContact CB-CZ 4.38Å; C47-F88 WeakPolarHBondContact SG-CZ 3.43Å; C47-I101 HydrophobicContact CB-CG2 3.91Å; C47-R102 CarbonylContact C-O 3.54Å; C47-R102 WeakPolarHBondContact CA-O 3.28Å; C47-V103 HydrophobicContact CB-CG2 4.23Å
48A98.3Very high97Very high0 Ų067.2 Ų67.20%033%0.327CS..EExtended strand (participates in β ladder)trans-138.8124.5-174.300000110.5V50 V69 I70 W71 R102 M104A48-V50 HydrophobicContact CB-CG2 4.22Å; A48-V69 HydrophobicContact CB-CG1 3.71Å; A48-I70 WeakPolarHBondContact CA-O 3.48Å; A48-W71 HydrophobicContact CB-CD2 4.42Å; A48-W71 HydrophobicContact CB-CE3 3.81Å; A48-W71 HydrophobicContact CB-CH2 4.17Å; A48-W71 HydrophobicContact CB-CZ3 3.68Å; A48-R102 HydrophobicContact CB-CB 4.43Å; A48-R102 PolarHBondContact N-O 2.81Å; A48-R102 PolarHBondContact O-N 3.19Å; A48-M104 HydrophobicContact CB-CE 3.68Å
49Y98.4Very high97.1Very high19 Ų1965 Ų658%0.07532%0.32CS..EExtended strand (participates in β ladder)trans-89.3109.5161.8176.4-124.3000108.6Y51 V69 I70 L92 P93 A96 H99 I101Y49-Y51 AromaticContact CD1-CD1 3.72Å; Y49-Y51 HydrophobicContact CD1-CD1 3.72Å; Y49-Y51 HydrophobicContact CD1-CE1 4.33Å; Y49-Y51 HydrophobicContact CD1-CG 4.36Å; Y49-Y51 AromaticContact CE1-CD1 3.6Å; Y49-Y51 HydrophobicContact CE1-CD1 3.6Å; Y49-Y51 HydrophobicContact CE1-CE1 4.34Å; Y49-Y51 AromaticContact CE1-CG 3.78Å; Y49-Y51 HydrophobicContact CE1-CG 3.78Å; Y49-V69 CarbonylContact O-C 3.56Å; Y49-V69 VanDerWaalsContact O-CA 3.28Å; Y49-V69 WeakPolarHBondContact O-CA 3.38Å; Y49-I70 HydrophobicContact CD1-CD1 4.05Å; Y49-I70 HydrophobicContact CD1-CG1 4.25Å; Y49-I70 PolarHBondContact N-O 3.29Å; Y49-I70 PolarHBondContact O-N 3.47Å; Y49-L92 HydrophobicContact CD1-CD2 4.16Å; Y49-L92 HydrophobicContact CG-CD2 4.07Å; Y49-P93 HydrophobicContact CE1-CG 3.94Å; Y49-A96 HydrophobicContact CD1-CB 4.47Å; Y49-A96 HydrophobicContact CD2-CB 4.16Å; Y49-A96 HydrophobicContact CE1-CB 3.97Å; Y49-A96 HydrophobicContact CE2-CB 3.61Å; Y49-A96 VanDerWaalsContact CZ-CB 3.5Å; Y49-H99 HydrophobicContact CE2-CB 4.32Å; Y49-I101 HydrophobicContact CD2-CD1 3.69Å; Y49-I101 HydrophobicContact CG-CD1 3.98Å
50V97.7Very high96.9Very high41 Ų4171.1 Ų71.125%0.24836%0.36CS..EExtended strand (participates in β ladder)trans-101.9123.1-179.6-175.70000108.7A48 T67 R68 V69 R102A48-V50 HydrophobicContact CB-CG2 4.22Å; V50-T67 HydrophobicContact CG1-CG2 3.5Å; V50-T67 VanDerWaalsContact CG1-CG2 3.5Å; V50-R68 WeakPolarHBondContact CA-O 3.48Å; V50-V69 HydrophobicContact CG1-CG2 4.49Å; V50-V69 HydrophobicContact CG2-CG1 4.38Å; V50-V69 HydrophobicContact CG2-CG2 4.16Å; V50-R102 HydrophobicContact CG2-CG 4.45Å
51Y97.6Very high96.9Very high76 Ų7671.5 Ų71.530%0.29838%0.384SS..EExtended strand (participates in β ladder)trans-140.6166.6-178.270-75.6000111.1Y49 T67 R68 I70Y49-Y51 AromaticContact CD1-CD1 3.72Å; Y49-Y51 HydrophobicContact CD1-CD1 3.72Å; Y49-Y51 HydrophobicContact CD1-CE1 4.33Å; Y49-Y51 HydrophobicContact CD1-CG 4.36Å; Y49-Y51 AromaticContact CE1-CD1 3.6Å; Y49-Y51 HydrophobicContact CE1-CD1 3.6Å; Y49-Y51 HydrophobicContact CE1-CE1 4.34Å; Y49-Y51 AromaticContact CE1-CG 3.78Å; Y49-Y51 HydrophobicContact CE1-CG 3.78Å; Y51-T67 WeakPolarHBondContact O-CA 3.21Å; Y51-R68 HydrophobicContact CD1-CB 3.99Å; Y51-R68 WeakPolarHBondContact CD1-O 3.4Å; Y51-R68 HydrophobicContact CD2-CB 4.38Å; Y51-R68 HydrophobicContact CE1-CB 3.41Å; Y51-R68 VanDerWaalsContact CE1-CB 3.41Å; Y51-R68 HydrophobicContact CE2-CB 3.9Å; Y51-R68 HydrophobicContact CE2-CG 4.45Å; Y51-R68 HydrophobicContact CG-CB 4.43Å; Y51-R68 PolarHBondContact N-O 3.05Å; Y51-R68 PolarHBondContact O-N 3.25Å; Y51-R68 WeakPolarHBondContact OH-CD 3.43Å; Y51-I70 HydrophobicContact CE1-CD1 4.43Å; Y51-I70 HydrophobicContact CE1-CG1 3.98Å
52K97.1Very high96.8Very high171 Ų17169.8 Ų69.874%0.74339%0.39SS*.EExtended strand (participates in β ladder)trans-113.7148.5176.9-69-177.6178.4179.50110.8K66K52-K66 VanDerWaalsContact CA-O 3.31Å; K52-K66 WeakPolarHBondContact CA-O 3.49Å
53A97.3Very high96.8Very high28 Ų2877.2 Ų77.223%0.23142%0.423CS..EExtended strand (participates in β ladder)trans-132.1171.1175.100000111.5K66A53-K66 PolarHBondContact N-O 3.17Å; A53-K66 WeakPolarHBondContact O-CB 3.28Å
54K97.3Very high96.7Very high194 Ų19479.1 Ų79.184%0.84344%0.437SS*.EExtended strand (participates in β ladder)trans-63.4-47.3-176.1-174.9176.3-179.5177.40113.2K66K54-K66 WeakPolarHBondContact O-CE 3.45Å
55K97.4Very high96.7Very high161 Ų16180.8 Ų80.870%0.744%0.442SS*.EExtended strand (participates in β ladder)trans-89.8144.4-175.4-62.8-174.7179.3-1760111.7
56N96.4Very high96.7Very high99 Ų9986 Ų8653%0.52947%0.465SS..EExtended strand (participates in β ladder)trans-67.7146.6171.6-69-14.1000110.9P64 N65 K66N56-P64 HydrophobicContact CB-CB 4.34Å; N56-N65 CarbonylContact C-O 3.58Å; N56-N65 WeakPolarHBondContact CA-O 3.28Å; N56-K66 WeakPolarHBondContact OD1-CG 3.3Å
57T96Very high96.6Very high47 Ų4783.6 Ų83.629%0.28846%0.461SS..EExtended strand (participates in β ladder)trans-130.6153.6174.846.90000109.6T59 P64 N65 T67 R68T57-T59 PolarHBondContact O-N 2.94Å; T57-P64 CarbonylContact O-C 3.47Å; T57-P64 VanDerWaalsContact O-CA 3.27Å; T57-P64 WeakPolarHBondContact O-CA 3.45Å; T57-N65 PolarHBondContact N-O 3.24Å; T57-N65 PolarHBondContact O-N 2.82Å; T57-N65 PolarHBondContact OG1-O 3.25Å; T57-T67 PolarHBondContact OG1-O 3.04Å; T57-R68 HydrophobicContact CG2-CG 4.49Å
58V96.4Very high96.6Very high132 Ų13287.6 Ų87.680%0.848%0.476SS*.EExtended strand (participates in β ladder)trans-55.2137.7175.5-66.40000110.7
59T95.4Very high96.6Very high40 Ų4090.4 Ų90.425%0.24549%0.493CS..EExtended strand (participates in β ladder)trans-117.4127.7177.4-62.50000108.4T57 G61 G62 K63 N65T57-T59 PolarHBondContact O-N 2.94Å; T59-G61 PolarHBondContact O-N 2.99Å; T59-G62 PolarHBondContact O-N 3.2Å; T59-G62 VanDerWaalsContact O-O 3.07Å; T59-K63 PolarHBondContact OG1-O 2.83Å; T59-N65 PolarHBondContact OG1-ND2 3.16Å; T59-N65 PolarHBondContact OG1-OD1 2.95Å
60P93.8Very high96.5Very high129 Ų12990.2 Ų90.284%0.83849%0.493SS*.THydrogen-bonded Turntrans-57.7124.5177.5-24.534.2000111.1G62P60-G62 PolarHBondContact O-N 2.79Å
61G94.4Very high96.6Very high96 Ų9692.5 Ų92.599%0.9950%0.497SS*.THydrogen-bonded Turntrans65.816.2178.400000115.3T59T59-G61 PolarHBondContact O-N 2.99Å
62G93.7Very high96.6Very high45 Ų4589.3 Ų89.346%0.46449%0.488SS..EExtended strand (participates in β ladder)trans-150.5173.6-176.400000113.9T59 P60T59-G62 PolarHBondContact O-N 3.2Å; T59-G62 VanDerWaalsContact O-O 3.07Å; P60-G62 PolarHBondContact O-N 2.79Å
63K96.2Very high96.7Very high186 Ų18686.6 Ų86.681%0.80948%0.476SS*.EExtended strand (participates in β ladder)trans-66.7145177.1-63.8-176.9-178.6-179.30110.7T59 N65T59-K63 PolarHBondContact OG1-O 2.83Å; K63-N65 PolarHBondContact O-N 2.94Å
64P96.3Very high96.7Very high82 Ų8285.2 Ų85.253%0.53247%0.465SS..EExtended strand (participates in β ladder)trans-53.1135.3175.3-26.634.6000112.2N56 T57N56-P64 HydrophobicContact CB-CB 4.34Å; T57-P64 CarbonylContact O-C 3.47Å; T57-P64 VanDerWaalsContact O-CA 3.27Å; T57-P64 WeakPolarHBondContact O-CA 3.45Å
65N96.8Very high96.8Very high53 Ų5379 Ų7928%0.28344%0.443SS..EExtended strand (participates in β ladder)trans-141.9172.6-176.67138.3000111.7N56 T57 T59 K63 T67N56-N65 CarbonylContact C-O 3.58Å; N56-N65 WeakPolarHBondContact CA-O 3.28Å; T57-N65 PolarHBondContact N-O 3.24Å; T57-N65 PolarHBondContact O-N 2.82Å; T57-N65 PolarHBondContact OG1-O 3.25Å; T59-N65 PolarHBondContact OG1-ND2 3.16Å; T59-N65 PolarHBondContact OG1-OD1 2.95Å; K63-N65 PolarHBondContact O-N 2.94Å; N65-T67 PolarHBondContact O-N 2.76Å; N65-T67 WeakPolarHBondContact OD1-CA 3.4Å; N65-T67 VanDerWaalsContact OD1-CB 3.22Å; N65-T67 WeakPolarHBondContact OD1-CB 3.08Å; N65-T67 PolarHBondContact OD1-N 2.88Å; N65-T67 PolarHBondContact OD1-O 3.45Å
66K97.3Very high96.8Very high110 Ų11078.1 Ų78.148%0.47844%0.436SS..EExtended strand (participates in β ladder)trans-79.7-2.3-178.9-66.8-173.7-178.51750114.3K52 A53 K54 N56K52-K66 VanDerWaalsContact CA-O 3.31Å; K52-K66 WeakPolarHBondContact CA-O 3.49Å; A53-K66 PolarHBondContact N-O 3.17Å; A53-K66 WeakPolarHBondContact O-CB 3.28Å; K54-K66 WeakPolarHBondContact O-CE 3.45Å; N56-K66 WeakPolarHBondContact OD1-CG 3.3Å
67T97.2Very high96.8Very high47 Ų4774 Ų7429%0.28842%0.415SS..EExtended strand (participates in β ladder)trans-86134.5-172.9-52.50000109.9V50 Y51 T57 N65V50-T67 HydrophobicContact CG1-CG2 3.5Å; V50-T67 VanDerWaalsContact CG1-CG2 3.5Å; Y51-T67 WeakPolarHBondContact O-CA 3.21Å; T57-T67 PolarHBondContact OG1-O 3.04Å; N65-T67 PolarHBondContact O-N 2.76Å; N65-T67 WeakPolarHBondContact OD1-CA 3.4Å; N65-T67 VanDerWaalsContact OD1-CB 3.22Å; N65-T67 WeakPolarHBondContact OD1-CB 3.08Å; N65-T67 PolarHBondContact OD1-N 2.88Å; N65-T67 PolarHBondContact OD1-O 3.45Å
68R97.3Very high96.9Very high83 Ų8374.1 Ų74.131%0.31341%0.413SS..EExtended strand (participates in β ladder)trans-128.3153.4177.2-62.8-178.7-173.8-170.92109.3V50 Y51 T57V50-R68 WeakPolarHBondContact CA-O 3.48Å; Y51-R68 HydrophobicContact CD1-CB 3.99Å; Y51-R68 WeakPolarHBondContact CD1-O 3.4Å; Y51-R68 HydrophobicContact CD2-CB 4.38Å; Y51-R68 HydrophobicContact CE1-CB 3.41Å; Y51-R68 VanDerWaalsContact CE1-CB 3.41Å; Y51-R68 HydrophobicContact CE2-CB 3.9Å; Y51-R68 HydrophobicContact CE2-CG 4.45Å; Y51-R68 HydrophobicContact CG-CB 4.43Å; Y51-R68 PolarHBondContact N-O 3.05Å; Y51-R68 PolarHBondContact O-N 3.25Å; Y51-R68 WeakPolarHBondContact OH-CD 3.43Å; T57-R68 HydrophobicContact CG2-CG 4.49Å
69V97.6Very high96.8Very high59 Ų5969.7 Ų69.736%0.35839%0.394SS..EExtended strand (participates in β ladder)trans-133.5130.3-178-171.70000109.6A48 Y49 V50 W71A48-V69 HydrophobicContact CB-CG1 3.71Å; Y49-V69 CarbonylContact O-C 3.56Å; Y49-V69 VanDerWaalsContact O-CA 3.28Å; Y49-V69 WeakPolarHBondContact O-CA 3.38Å; V50-V69 HydrophobicContact CG1-CG2 4.49Å; V50-V69 HydrophobicContact CG2-CG1 4.38Å; V50-V69 HydrophobicContact CG2-CG2 4.16Å; V69-W71 HydrophobicContact CG1-CD2 3.9Å; V69-W71 HydrophobicContact CG1-CG 4.15Å; V69-W71 HydrophobicContact CG1-CZ2 4.05Å
70I98.2Very high96.8Very high15 Ų1573.9 Ų73.98%0.07742%0.415CS..EExtended strand (participates in β ladder)trans-99.9117.6161.7-51.8-179.3000107.1A48 Y49 Y51 F88 S90 L92A48-I70 WeakPolarHBondContact CA-O 3.48Å; Y49-I70 HydrophobicContact CD1-CD1 4.05Å; Y49-I70 HydrophobicContact CD1-CG1 4.25Å; Y49-I70 PolarHBondContact N-O 3.29Å; Y49-I70 PolarHBondContact O-N 3.47Å; Y51-I70 HydrophobicContact CE1-CD1 4.43Å; Y51-I70 HydrophobicContact CE1-CG1 3.98Å; I70-F88 HydrophobicContact CG2-CB 4.03Å; I70-F88 HydrophobicContact CG2-CD1 4Å; I70-F88 HydrophobicContact CG2-CG 4.43Å; I70-S90 VanDerWaalsContact CG2-OG 3.3Å; I70-S90 WeakPolarHBondContact CG2-OG 3.18Å; I70-L92 HydrophobicContact CB-CD2 4.28Å; I70-L92 HydrophobicContact CD1-CD2 4.33Å; I70-L92 HydrophobicContact CG2-CD2 4.27Å
71W98.4Very high96.8Very high89 Ų8970.6 Ų70.634%0.33740%0.395SS..EExtended strand (participates in β ladder)trans-88.3149.6-179.8-72.5104.4000111.4R46 C47 A48 V69 F88 S89 M104 Y106R46-W71 VanDerWaalsContact NH2-CD2 3.33Å; C47-W71 CarbonylContact O-C 3.59Å; A48-W71 HydrophobicContact CB-CD2 4.42Å; A48-W71 HydrophobicContact CB-CE3 3.81Å; A48-W71 HydrophobicContact CB-CH2 4.17Å; A48-W71 HydrophobicContact CB-CZ3 3.68Å; V69-W71 HydrophobicContact CG1-CD2 3.9Å; V69-W71 HydrophobicContact CG1-CG 4.15Å; V69-W71 HydrophobicContact CG1-CZ2 4.05Å; W71-F88 CarbonylContact O-C 3.52Å; W71-F88 WeakPolarHBondContact O-CA 3.4Å; W71-F88 WeakPolarHBondContact O-CD1 3.45Å; W71-S89 PolarHBondContact O-N 2.95Å; W71-S89 PolarHBondContact O-OG 2.8Å; W71-M104 HydrophobicContact CH2-CE 4.08Å; W71-M104 HydrophobicContact CZ3-CE 4Å; W71-M104 HydrophobicContact CZ3-CG 4.24Å; W71-Y106 WeakPolarHBondContact CH2-OH 3.26Å; W71-Y106 WeakPolarHBondContact CZ3-OH 3.22Å
72G98.4Very high96.7Very high10 Ų1066 Ų6610%0.10335%0.348CS..EExtended strand (participates in β ladder)trans-155.2-171.5174.500000112.3R46 C47 K87R46-G72 WeakPolarHBondContact CA-O 3.29Å; C47-G72 PolarHBondContact N-O 2.78Å; C47-G72 PolarHBondContact O-N 2.78Å; G72-K87 CarbonylContact C-O 3.49Å; G72-K87 WeakPolarHBondContact CA-O 3.29Å
73K98.4Very high96.9Very high113 Ų11365.6 Ų65.649%0.49133%0.334SS..EExtended strand (participates in β ladder)trans-140.6140.2178.7-178.9174.5176-179.30109.9G44 K45 C47 A86 K87G44-K73 VanDerWaalsContact O-CE 3.24Å; G44-K73 WeakPolarHBondContact O-CE 3.49Å; K45-K73 WeakPolarHBondContact O-CA 3.41Å; C47-K73 PolarHBondContact SG-N 2.84Å; C47-K73 VanDerWaalsContact SG-N 3.44Å; K73-A86 VanDerWaalsContact O-CA 3.3Å; K73-A86 WeakPolarHBondContact O-CA 3.25Å; K73-K87 PolarHBondContact N-O 3.03Å; K73-K87 PolarHBondContact O-N 3.37Å
74V98.3Very high97Very high0 Ų056.8 Ų56.80%030%0.296CS..EExtended strand (participates in β ladder)trans-72.4126.2168.7-1800000108.5Y42 L43 G44 K45 V84 V103Y42-V74 VanDerWaalsContact O-CB 3.28Å; Y42-V74 WeakPolarHBondContact O-CB 3.39Å; Y42-V74 WeakPolarHBondContact O-CG1 3.35Å; L43-V74 HydrophobicContact CD2-CG1 4.24Å; G44-V74 WeakPolarHBondContact CA-O 3.34Å; G44-V74 PolarHBondContact N-O 2.88Å; K45-V74 PolarHBondContact O-N 2.87Å; V74-V84 HydrophobicContact CG1-CB 3.86Å; V74-V84 HydrophobicContact CG1-CG1 4.24Å; V74-V84 HydrophobicContact CG1-CG2 3.89Å; V74-V84 HydrophobicContact CG2-CG2 4.4Å; V74-V103 HydrophobicContact CG2-CG1 4.13Å
75T98.1Very high97.1Very high63 Ų6355.5 Ų55.539%0.38728%0.28SS..EExtended strand (participates in β ladder)trans-103.8-51.4-171.355.70000113.4R85 K87T75-R85 PolarHBondContact N-O 2.84Å; T75-R85 PolarHBondContact OG1-O 2.79Å; T75-K87 HydrophobicContact CG2-CB 3.9Å; T75-K87 HydrophobicContact CG2-CG 3.55Å
76R97.4Very high97.2Very high142 Ų14253 Ų5354%0.53627%0.267SS..EExtended strand (participates in β ladder)trans-158.8161-178.564.3-175.5-59.6176.65.5111.2R85R76-R85 HydrophobicContact CG-CB 4.16Å; R76-R85 HydrophobicContact CG-CG 4.3Å; R76-R85 PolarHBondContact O-N 2.96Å
77A97.9Very high97.2Very high13 Ų1351.4 Ų51.411%0.10726%0.26CS..EExtended strand (participates in β ladder)trans-62.3153.1171.800000112.2R36 V39R36-A77 HydrophobicContact CG-CB 4.05Å; V39-A77 HydrophobicContact CB-CB 4.22Å; V39-A77 HydrophobicContact CG1-CB 3.81Å; V39-A77 HydrophobicContact CG2-CB 4.45Å
78H97.3Very high97.3Very high50 Ų5050.3 Ų50.323%0.23125%0.251CS..EExtended strand (participates in β ladder)trans-128121.2176.1-172.249000110.6L27 M83 R85L27-H78 HydrophobicContact CD2-CB 4.28Å; L27-H78 VanDerWaalsContact CD2-CD2 3.44Å; L27-H78 WeakPolarHBondContact CD2-CD2 3.47Å; H78-M83 HydrophobicContact CB-CB 4.1Å; H78-M83 PolarHBondContact N-O 3.43Å; H78-M83 WeakPolarHBondContact O-CB 3.35Å; H78-R85 HydrophobicContact CB-CG 3.93Å; H78-R85 PolarHBondContact ND1-NE 2.85Å; H78-R85 PolarHBondContact ND1-NH2 2.78Å
79G94.7Very high97.3Very high39 Ų3951.3 Ų51.340%0.40227%0.271SS..THydrogen-bonded Turntrans62.4-153.7-174.900000111.8R36R36-G79 PolarHBondContact NH1-O 2.94Å; R36-G79 VanDerWaalsContact NH1-O 3.14Å
80N94.6Very high97.3Very high128 Ų12851.3 Ų51.368%0.68427%0.273SS*.THydrogen-bonded Turntrans-114.6-10.1-176.2-63-18000113.2S35 R36 G82S35-N80 CarbonylContact C-O 3.53Å; R36-N80 PolarHBondContact N-O 3.15Å; N80-G82 PolarHBondContact O-N 2.93Å
81S94Very high97.3Very high60 Ų6054.9 Ų54.942%0.4229%0.293SS..THydrogen-bonded Turntrans-95.130.5-17159.30000114.4K29 Y34 M83K29-S81 PolarHBondContact NZ-O 3Å; Y34-S81 CarbonylContact O-C 3.53Å; Y34-S81 WeakPolarHBondContact O-CA 3.31Å; S81-M83 VanDerWaalsContact C-N 3.31Å; S81-M83 PolarHBondContact O-N 3.02Å
82G93Very high97.3Very high0 Ų051 Ų510%028%0.278CS..THydrogen-bonded Turntrans69.521.3178.900000115.6S35 N80S35-G82 WeakPolarHBondContact O-CA 3.41Å; S35-G82 PolarHBondContact O-N 3.41Å; N80-G82 PolarHBondContact O-N 2.93Å
83M97.3Very high97.3Very high36 Ų3653.1 Ų53.118%0.17729%0.29CS..EExtended strand (participates in β ladder)trans-85.5155.3170.8-67.1-179.169.700111.1T12 L27 L28 K29 H78 S81T12-M83 HydrophobicContact CG2-CE 4.24Å; T12-M83 VanDerWaalsContact OG1-CE 3.29Å; T12-M83 WeakPolarHBondContact OG1-CE 3.28Å; L27-M83 HydrophobicContact CB-CE 3.98Å; L27-M83 HydrophobicContact CD1-CE 4.44Å; L28-M83 WeakPolarHBondContact O-CA 3.08Å; K29-M83 HydrophobicContact CB-CG 4.48Å; K29-M83 HydrophobicContact CD-CG 3.82Å; H78-M83 HydrophobicContact CB-CB 4.1Å; H78-M83 PolarHBondContact N-O 3.43Å; H78-M83 WeakPolarHBondContact O-CB 3.35Å; S81-M83 VanDerWaalsContact C-N 3.31Å; S81-M83 PolarHBondContact O-N 3.02Å
84V98.3Very high97.2Very high0 Ų050.8 Ų50.80%029%0.292CS..EExtended strand (participates in β ladder)trans-131.4152.4179.7-53.70000112.2L27 L28 L30 V39 V74L27-V84 WeakPolarHBondContact CA-O 3.38Å; L28-V84 HydrophobicContact CB-CG2 3.74Å; L28-V84 HydrophobicContact CD1-CG2 4.44Å; L28-V84 HydrophobicContact CG-CG2 4.42Å; L28-V84 PolarHBondContact N-O 3.13Å; L28-V84 PolarHBondContact O-N 3.16Å; L30-V84 HydrophobicContact CD1-CG1 3.58Å; L30-V84 HydrophobicContact CD1-CG2 4.38Å; L30-V84 HydrophobicContact CD2-CG2 4.29Å; L30-V84 HydrophobicContact CG-CG1 4.13Å; L30-V84 HydrophobicContact CG-CG2 4.2Å; V39-V84 HydrophobicContact CB-CG1 4.22Å; V39-V84 HydrophobicContact CG1-CG1 3.35Å; V39-V84 HydrophobicContact CG2-CG1 3.87Å; V74-V84 HydrophobicContact CG1-CB 3.86Å; V74-V84 HydrophobicContact CG1-CG1 4.24Å; V74-V84 HydrophobicContact CG1-CG2 3.89Å; V74-V84 HydrophobicContact CG2-CG2 4.4Å
85R98.4Very high97.2Very high56 Ų5659 Ų5921%0.21133%0.328CS..EExtended strand (participates in β ladder)trans-92132.3167.7-60.1-169.4177.8162.83.6109.5T25 A26 L27 T75 R76 H78T25-R85 HydrophobicContact CG2-CB 3.91Å; T25-R85 HydrophobicContact CG2-CG 4.27Å; A26-R85 CarbonylContact O-C 3.57Å; A26-R85 WeakPolarHBondContact O-CA 3.22Å; L27-R85 HydrophobicContact CD2-CG 3.93Å; T75-R85 PolarHBondContact N-O 2.84Å; T75-R85 PolarHBondContact OG1-O 2.79Å; R76-R85 HydrophobicContact CG-CB 4.16Å; R76-R85 HydrophobicContact CG-CG 4.3Å; R76-R85 PolarHBondContact O-N 2.96Å; H78-R85 HydrophobicContact CB-CG 3.93Å; H78-R85 PolarHBondContact ND1-NE 2.85Å; H78-R85 PolarHBondContact ND1-NH2 2.78Å
86A98.6Very high97.1Very high0 Ų056 Ų560%031%0.31CS..EExtended strand (participates in β ladder)trans-122.314817400000111.6A26 L28 K73 F88A26-A86 PolarHBondContact N-O 3.11Å; A26-A86 PolarHBondContact O-N 3Å; L28-A86 HydrophobicContact CD1-CB 3.53Å; L28-A86 HydrophobicContact CG-CB 3.94Å; K73-A86 VanDerWaalsContact O-CA 3.3Å; K73-A86 WeakPolarHBondContact O-CA 3.25Å; A86-F88 HydrophobicContact CB-CD2 4.33Å; A86-F88 HydrophobicContact CB-CE2 3.74Å; A86-F88 HydrophobicContact CB-CZ 4.49Å
87K98.5Very high97.2Very high76 Ų7652.7 Ų52.733%0.3330%0.302SS..EExtended strand (participates in β ladder)trans-114.5124.3172.9-71.4-70-175.2166.30108.3H24 T25 G72 K73 T75H24-K87 PolarHBondContact CD2-NZ 3.15Å; H24-K87 PolarHBondContact NE2-NZ 2.84Å; H24-K87 VanDerWaalsContact NE2-NZ 3.2Å; H24-K87 WeakPolarHBondContact O-CD 3.4Å; H24-K87 WeakPolarHBondContact O-CE 3.42Å; H24-K87 PolarHBondContact O-NZ 2.9Å; T25-K87 VanDerWaalsContact OG1-CE 3.28Å; T25-K87 WeakPolarHBondContact OG1-CE 3.42Å; T25-K87 PolarHBondContact OG1-NZ 3.13Å; G72-K87 CarbonylContact C-O 3.49Å; G72-K87 WeakPolarHBondContact CA-O 3.29Å; K73-K87 PolarHBondContact N-O 3.03Å; K73-K87 PolarHBondContact O-N 3.37Å; T75-K87 HydrophobicContact CG2-CB 3.9Å; T75-K87 HydrophobicContact CG2-CG 3.55Å
88F98.5Very high97.2Very high24 Ų2454.6 Ų54.611%0.10532%0.323CS..EExtended strand (participates in β ladder)trans-104.3154.5176.7-71.7-96.8000109.7A26 L28 C47 I70 W71 A86 S90 L92 I101A26-F88 HydrophobicContact CB-CD2 4.1Å; A26-F88 HydrophobicContact CB-CE2 3.89Å; L28-F88 HydrophobicContact CD1-CZ 4.49Å; C47-F88 HydrophobicContact CB-CZ 4.38Å; C47-F88 WeakPolarHBondContact SG-CZ 3.43Å; I70-F88 HydrophobicContact CG2-CB 4.03Å; I70-F88 HydrophobicContact CG2-CD1 4Å; I70-F88 HydrophobicContact CG2-CG 4.43Å; W71-F88 CarbonylContact O-C 3.52Å; W71-F88 WeakPolarHBondContact O-CA 3.4Å; W71-F88 WeakPolarHBondContact O-CD1 3.45Å; A86-F88 HydrophobicContact CB-CD2 4.33Å; A86-F88 HydrophobicContact CB-CE2 3.74Å; A86-F88 HydrophobicContact CB-CZ 4.49Å; F88-S90 WeakPolarHBondContact CB-O 3.25Å; F88-S90 PolarHBondContact O-N 3.19Å; F88-L92 HydrophobicContact CB-CD2 4.49Å; F88-L92 HydrophobicContact CD1-CD2 3.72Å; F88-L92 HydrophobicContact CD1-CG 4.28Å; F88-L92 HydrophobicContact CD2-CD1 3.87Å; F88-L92 HydrophobicContact CD2-CD2 4.09Å; F88-L92 HydrophobicContact CD2-CG 3.71Å; F88-L92 HydrophobicContact CE1-CD1 4.41Å; F88-L92 HydrophobicContact CE1-CD2 3.86Å; F88-L92 HydrophobicContact CE1-CG 4.42Å; F88-L92 HydrophobicContact CE2-CD1 3.5Å; F88-L92 HydrophobicContact CE2-CD2 4.22Å; F88-L92 HydrophobicContact CE2-CG 3.87Å; F88-L92 HydrophobicContact CG-CD1 4.47Å; F88-L92 HydrophobicContact CG-CD2 3.84Å; F88-L92 HydrophobicContact CG-CG 3.93Å; F88-L92 HydrophobicContact CZ-CD1 3.8Å; F88-L92 HydrophobicContact CZ-CD2 4.1Å; F88-L92 HydrophobicContact CZ-CG 4.22Å; F88-I101 HydrophobicContact CZ-CD1 4.21Å; F88-I101 HydrophobicContact CZ-CG2 4.08Å
89S97.7Very high97.2Very high105 Ų10556.6 Ų56.673%0.73433%0.332SS*.SBendtrans-60.7-36.8178.658.50000111.8W71W71-S89 PolarHBondContact O-N 2.95Å; W71-S89 PolarHBondContact O-OG 2.8Å
90S97.4Very high97.4Very high58 Ų5861.4 Ų61.441%0.40634%0.338SS..SBendtrans-121.3150163.855.80000109I70 F88 L92I70-S90 VanDerWaalsContact CG2-OG 3.3Å; I70-S90 WeakPolarHBondContact CG2-OG 3.18Å; F88-S90 WeakPolarHBondContact CB-O 3.25Å; F88-S90 PolarHBondContact O-N 3.19Å; S90-L92 PolarHBondContact O-N 3.45Å
91N98Very high97.6Very high91 Ų9155.3 Ų55.349%0.48731%0.306SS..PPolyproline II helixtrans-57.1137176.6-62.6-14000109.4H24H24-N91 WeakPolarHBondContact CA-OD1 3.23Å
92L98Very high97.8Very high6 Ų657 Ų573%0.03130%0.303CS..PPolyproline II helixtrans-61.7145.4175.3-69.2-177.3000109.6F11 Y14 A26 Y49 I70 F88 S90 I101F11-L92 HydrophobicContact CB-CD1 4.34Å; F11-L92 HydrophobicContact CD1-CB 4.31Å; F11-L92 HydrophobicContact CD1-CD1 3.7Å; F11-L92 HydrophobicContact CD2-CD1 3.86Å; F11-L92 HydrophobicContact CE1-CB 3.82Å; F11-L92 HydrophobicContact CE1-CD1 3.92Å; F11-L92 HydrophobicContact CE2-CD1 4.03Å; F11-L92 HydrophobicContact CG-CD1 3.71Å; F11-L92 HydrophobicContact CZ-CB 4.09Å; F11-L92 HydrophobicContact CZ-CD1 4.09Å; Y14-L92 WeakPolarHBondContact CE1-O 3.38Å; Y14-L92 PolarHBondContact OH-O 3.48Å; A26-L92 HydrophobicContact CB-CD1 3.98Å; Y49-L92 HydrophobicContact CD1-CD2 4.16Å; Y49-L92 HydrophobicContact CG-CD2 4.07Å; I70-L92 HydrophobicContact CB-CD2 4.28Å; I70-L92 HydrophobicContact CD1-CD2 4.33Å; I70-L92 HydrophobicContact CG2-CD2 4.27Å; F88-L92 HydrophobicContact CB-CD2 4.49Å; F88-L92 HydrophobicContact CD1-CD2 3.72Å; F88-L92 HydrophobicContact CD1-CG 4.28Å; F88-L92 HydrophobicContact CD2-CD1 3.87Å; F88-L92 HydrophobicContact CD2-CD2 4.09Å; F88-L92 HydrophobicContact CD2-CG 3.71Å; F88-L92 HydrophobicContact CE1-CD1 4.41Å; F88-L92 HydrophobicContact CE1-CD2 3.86Å; F88-L92 HydrophobicContact CE1-CG 4.42Å; F88-L92 HydrophobicContact CE2-CD1 3.5Å; F88-L92 HydrophobicContact CE2-CD2 4.22Å; F88-L92 HydrophobicContact CE2-CG 3.87Å; F88-L92 HydrophobicContact CG-CD1 4.47Å; F88-L92 HydrophobicContact CG-CD2 3.84Å; F88-L92 HydrophobicContact CG-CG 3.93Å; F88-L92 HydrophobicContact CZ-CD1 3.8Å; F88-L92 HydrophobicContact CZ-CD2 4.1Å; F88-L92 HydrophobicContact CZ-CG 4.22Å; S90-L92 PolarHBondContact O-N 3.45Å; L92-I101 HydrophobicContact CD1-CD1 4.11Å
93P97.9Very high98Very high55 Ų5557 Ų5736%0.35730%0.303SS..PPolyproline II helixtrans-72.7146.9172.529.3-33.2000110.4Y14 Y49 K95 A96Y14-P93 VanDerWaalsContact OH-C 3.29Å; Y49-P93 HydrophobicContact CE1-CG 3.94Å; P93-K95 PolarHBondContact O-N 3.48Å; P93-K95 VanDerWaalsContact O-N 3.15Å; P93-A96 HydrophobicContact CG-CB 4.15Å; P93-A96 VanDerWaalsContact O-CB 3.25Å; P93-A96 WeakPolarHBondContact O-CB 3.43Å; P93-A96 PolarHBondContact O-N 2.82Å
94A97.4Very high98Very high64 Ų6456.3 Ų56.353%0.52930%0.299SS..G310 helixtrans-60.8-29.3-179.400000112.9Y14 A96 I97Y14-A94 HydrophobicContact CE2-CB 4.41Å; Y14-A94 VanDerWaalsContact OH-CA 3.25Å; Y14-A94 WeakPolarHBondContact OH-CA 3.27Å; Y14-A94 PolarHBondContact OH-N 3Å; A94-A96 PolarHBondContact O-N 2.98Å; A94-A96 VanDerWaalsContact O-N 3.11Å; A94-I97 WeakPolarHBondContact O-CB 3.3Å; A94-I97 VanDerWaalsContact O-CG1 3.23Å; A94-I97 WeakPolarHBondContact O-CG1 3.38Å; A94-I97 PolarHBondContact O-N 2.76Å
95K97.5Very high97.9Very high173 Ų17359.9 Ų59.975%0.75232%0.318SS*.G310 helixtrans-57.4-23.9172.7-177.7171.9-179.4172.20113.4P93 I97 H99P93-K95 PolarHBondContact O-N 3.48Å; P93-K95 VanDerWaalsContact O-N 3.15Å; K95-I97 PolarHBondContact O-N 2.86Å; K95-H99 PolarHBondContact O-CE1 2.78Å; K95-H99 PolarHBondContact O-ND1 3.45Å; K95-H99 VanDerWaalsContact O-ND1 3.13Å
96A97.4Very high97.8Very high0 Ų062 Ų620%033%0.327CS..G310 helixtrans-76.6-7.3178.400000113.2F11 Y49 P93 A94 G98 H99F11-A96 VanDerWaalsContact CD1-C 3.46Å; F11-A96 HydrophobicContact CD1-CB 3.79Å; F11-A96 WeakPolarHBondContact CD1-O 3.34Å; F11-A96 HydrophobicContact CE1-CB 4.25Å; Y49-A96 HydrophobicContact CD1-CB 4.47Å; Y49-A96 HydrophobicContact CD2-CB 4.16Å; Y49-A96 HydrophobicContact CE1-CB 3.97Å; Y49-A96 HydrophobicContact CE2-CB 3.61Å; Y49-A96 VanDerWaalsContact CZ-CB 3.5Å; P93-A96 HydrophobicContact CG-CB 4.15Å; P93-A96 VanDerWaalsContact O-CB 3.25Å; P93-A96 WeakPolarHBondContact O-CB 3.43Å; P93-A96 PolarHBondContact O-N 2.82Å; A94-A96 PolarHBondContact O-N 2.98Å; A94-A96 VanDerWaalsContact O-N 3.11Å; A96-G98 PolarHBondContact O-N 2.86Å; A96-H99 WeakPolarHBondContact O-CA 3.38Å; A96-H99 VanDerWaalsContact O-CB 3.22Å; A96-H99 WeakPolarHBondContact O-CB 2.84Å; A96-H99 PolarHBondContact O-N 3.14Å
97I98.3Very high97.6Very high72 Ų7265.4 Ų65.437%0.36935%0.349SS..THydrogen-bonded Turntrans-59.8136.9176-65.8172.1000109F11 Y14 A94 K95 H99F11-I97 HydrophobicContact CD1-CG1 4.04Å; F11-I97 HydrophobicContact CE1-CG1 3.62Å; F11-I97 HydrophobicContact CZ-CG1 4.13Å; F11-I97 CarbonylContact O-C 3.52Å; F11-I97 WeakPolarHBondContact O-CA 3.3Å; Y14-I97 HydrophobicContact CE2-CD1 4.21Å; A94-I97 WeakPolarHBondContact O-CB 3.3Å; A94-I97 VanDerWaalsContact O-CG1 3.23Å; A94-I97 WeakPolarHBondContact O-CG1 3.38Å; A94-I97 PolarHBondContact O-N 2.76Å; K95-I97 PolarHBondContact O-N 2.86Å; I97-H99 PolarHBondContact O-N 3.25Å; I97-H99 PolarHBondContact O-ND1 3.2Å
98G97.9Very high97.4Very high54 Ų5465.4 Ų65.456%0.55736%0.359SS*.THydrogen-bonded Turntrans74.2-5.2-172.800000114.5F11 A96F11-G98 PolarHBondContact O-N 2.9Å; A96-G98 PolarHBondContact O-N 2.86Å
99H98.1Very high97Very high92 Ų9271.6 Ų71.643%0.42638%0.381SS..SBendtrans-92.1161.5-179.7-65.363.4000112.3F11 Y49 K95 A96 I97F11-H99 PolarHBondContact N-O 3.49Å; Y49-H99 HydrophobicContact CE2-CB 4.32Å; K95-H99 PolarHBondContact O-CE1 2.78Å; K95-H99 PolarHBondContact O-ND1 3.45Å; K95-H99 VanDerWaalsContact O-ND1 3.13Å; A96-H99 WeakPolarHBondContact O-CA 3.38Å; A96-H99 VanDerWaalsContact O-CB 3.22Å; A96-H99 WeakPolarHBondContact O-CB 2.84Å; A96-H99 PolarHBondContact O-N 3.14Å; I97-H99 PolarHBondContact O-N 3.25Å; I97-H99 PolarHBondContact O-ND1 3.2Å
100R98.2Very high96.6Very high140 Ų14074.2 Ų74.253%0.52839%0.392SS..EExtended strand (participates in β ladder)trans-74.8129.4-175.9-174.9143.854.5178.6-5.2112.2W6 A9W6-R100 HydrophobicContact CH2-CG 4.3Å; W6-R100 HydrophobicContact CZ3-CG 4.13Å; A9-R100 CarbonylContact O-C 3.59Å; A9-R100 WeakPolarHBondContact O-CA 3.41Å
101I98.4Very high96.5Very high0 Ų075 Ų750%039%0.391CS..EExtended strand (participates in β ladder)trans-106.5135.9165.6-59.2-62.5000108A9 F11 L28 C47 Y49 F88 L92A9-I101 HydrophobicContact CB-CB 4.27Å; A9-I101 PolarHBondContact N-O 3.22Å; A9-I101 PolarHBondContact O-N 3.45Å; A9-I101 VanDerWaalsContact O-O 3.13Å; F11-I101 HydrophobicContact CB-CD1 4.26Å; F11-I101 HydrophobicContact CB-CG1 3.79Å; L28-I101 HydrophobicContact CD1-CG2 3.93Å; L28-I101 HydrophobicContact CD2-CB 4.31Å; L28-I101 HydrophobicContact CD2-CG1 3.77Å; L28-I101 HydrophobicContact CD2-CG2 4.45Å; C47-I101 HydrophobicContact CB-CG2 3.91Å; Y49-I101 HydrophobicContact CD2-CD1 3.69Å; Y49-I101 HydrophobicContact CG-CD1 3.98Å; F88-I101 HydrophobicContact CZ-CD1 4.21Å; F88-I101 HydrophobicContact CZ-CG2 4.08Å; L92-I101 HydrophobicContact CD1-CD1 4.11Å
102R98.3Very high96.5Very high94 Ų9474.2 Ų74.236%0.35539%0.386SS..EExtended strand (participates in β ladder)trans-92.1117.3174.2-55.2-173.5-179.3178.4-0.4108.1W6 C47 A48 V50 M104W6-R102 HydrophobicContact CB-CB 4.26Å; W6-R102 HydrophobicContact CD2-CB 3.76Å; W6-R102 HydrophobicContact CD2-CG 3.66Å; W6-R102 HydrophobicContact CE3-CB 3.67Å; W6-R102 HydrophobicContact CE3-CG 3.58Å; W6-R102 HydrophobicContact CG-CB 4.01Å; W6-R102 HydrophobicContact CG-CG 4.29Å; W6-R102 HydrophobicContact CH2-CG 4.05Å; W6-R102 HydrophobicContact CZ2-CG 4.11Å; W6-R102 HydrophobicContact CZ3-CB 4.29Å; W6-R102 HydrophobicContact CZ3-CG 3.77Å; C47-R102 CarbonylContact C-O 3.54Å; C47-R102 WeakPolarHBondContact CA-O 3.28Å; A48-R102 HydrophobicContact CB-CB 4.43Å; A48-R102 PolarHBondContact N-O 2.81Å; A48-R102 PolarHBondContact O-N 3.19Å; V50-R102 HydrophobicContact CG2-CG 4.45Å; R102-M104 HydrophobicContact CB-CE 3.78Å
103V97.8Very high96.4Very high0 Ų077.9 Ų77.90%041%0.406CS..EExtended strand (participates in β ladder)trans-96.1116.4171.3-176.40000107.4W6 S7 A9 L30 Y42 K45 C47 V74W6-V103 CarbonylContact C-O 3.41Å; W6-V103 WeakPolarHBondContact CA-O 3.44Å; W6-V103 WeakPolarHBondContact CB-O 3.46Å; S7-V103 PolarHBondContact N-O 2.75Å; S7-V103 PolarHBondContact O-N 3.25Å; A9-V103 HydrophobicContact CB-CG2 3.73Å; L30-V103 HydrophobicContact CD2-CB 4.47Å; L30-V103 HydrophobicContact CD2-CG2 3.77Å; Y42-V103 HydrophobicContact CD1-CG1 3.75Å; Y42-V103 HydrophobicContact CE1-CG1 4.37Å; K45-V103 HydrophobicContact CB-CG1 4.02Å; C47-V103 HydrophobicContact CB-CG2 4.23Å; V74-V103 HydrophobicContact CG2-CG1 4.13Å
104M97.7Very high96.3Very high22 Ų2279.3 Ų79.311%0.10841%0.409CS..EExtended strand (participates in β ladder)trans-76.4159.5-177.8-55.4-60.5165.100110.4W6 K45 R46 A48 W71 R102 Y106W6-M104 HydrophobicContact CB-SD 3.92Å; K45-M104 WeakPolarHBondContact CB-O 3.29Å; R46-M104 HydrophobicContact CB-CB 4.43Å; R46-M104 HydrophobicContact CB-CG 4.45Å; R46-M104 WeakPolarHBondContact O-CB 3.44Å; R46-M104 PolarHBondContact O-N 2.73Å; A48-M104 HydrophobicContact CB-CE 3.68Å; W71-M104 HydrophobicContact CH2-CE 4.08Å; W71-M104 HydrophobicContact CZ3-CE 4Å; W71-M104 HydrophobicContact CZ3-CG 4.24Å; R102-M104 HydrophobicContact CB-CE 3.78Å; M104-Y106 HydrophobicContact CB-CD1 3.49Å; M104-Y106 VanDerWaalsContact CB-CD1 3.49Å; M104-Y106 HydrophobicContact CB-CE1 3.29Å; M104-Y106 HydrophobicContact CB-CG 4.25Å; M104-Y106 HydrophobicContact CG-CD1 4.21Å; M104-Y106 HydrophobicContact CG-CE1 3.47Å; M104-Y106 VanDerWaalsContact CG-CE1 3.47Å; M104-Y106 PolarHBondContact O-N 3.38Å; M104-Y106 HydrophobicContact SD-CE1 4.09Å
105L95.8Very high96.2Very high75 Ų7580.3 Ų80.339%0.39340%0.402SS..SBendtrans-84.31.2175.9-55.7179.6000113F41 K45F41-L105 HydrophobicContact CE1-CD2 4.05Å; F41-L105 HydrophobicContact CZ-CD2 4.16Å; K45-L105 WeakPolarHBondContact CD-O 3.49Å; K45-L105 WeakPolarHBondContact CE-O 3.44Å
106Y95.9Very high96.1Very high102 Ų10274.1 Ų74.140%0.438%0.378SS..  trans-113.8153.1177.766.3-86.9000112.6K45 R46 W71 M104K45-Y106 WeakPolarHBondContact CA-O 3.41Å; R46-Y106 HydrophobicContact CB-CD2 4.43Å; R46-Y106 HydrophobicContact CB-CE2 4.11Å; R46-Y106 HydrophobicContact CG-CD2 4.38Å; R46-Y106 HydrophobicContact CG-CE2 4.19Å; R46-Y106 PolarHBondContact N-O 3.45Å; W71-Y106 WeakPolarHBondContact CH2-OH 3.26Å; W71-Y106 WeakPolarHBondContact CZ3-OH 3.22Å; M104-Y106 HydrophobicContact CB-CD1 3.49Å; M104-Y106 VanDerWaalsContact CB-CD1 3.49Å; M104-Y106 HydrophobicContact CB-CE1 3.29Å; M104-Y106 HydrophobicContact CB-CG 4.25Å; M104-Y106 HydrophobicContact CG-CD1 4.21Å; M104-Y106 HydrophobicContact CG-CE1 3.47Å; M104-Y106 VanDerWaalsContact CG-CE1 3.47Å; M104-Y106 PolarHBondContact O-N 3.38Å; M104-Y106 HydrophobicContact SD-CE1 4.09Å
107P95.9Very high96Very high70 Ų7079.4 Ų79.446%0.45541%0.405SS..SBendcis-65.3135-8.327.2-35.2000112.5G44 K45G44-P107 WeakPolarHBondContact O-CD 3.21Å; K45-P107 VanDerWaalsContact CD-O 3.27Å; K45-P107 WeakPolarHBondContact CD-O 3.22Å; K45-P107 VanDerWaalsContact CE-O 3.27Å; K45-P107 WeakPolarHBondContact CE-O 3.18Å; K45-P107 PolarHBondContact NZ-O 3.23Å
108S92.9Very high95.9Very high77 Ų7779.9 Ų79.954%0.53841%0.408SS..  trans-74.8143177.2-163.30000110V110S108-V110 PolarHBondContact OG-N 2.68Å; S108-V110 PolarHBondContact OG-O 2.84Å
109R91.3Very high95.7Very high154 Ų15482.1 Ų82.158%0.58140%0.396SS*.  trans-125.34.3167.2-66.6-172.7-70.4131.91.9111D40 L43D40-R109 PolarHBondContact O-NH2 3.33Å; D40-R109 IonicContact OD1-NH2 3.98Å; L43-R109 PolarHBondContact O-NH2 2.81Å; L43-R109 VanDerWaalsContact O-NH2 3.15Å
110V88.2Confident95.5Very high159 Ų15981.2 Ų81.296%0.96439%0.393SS*.  trans-99.30170.8-173.40000106.4F41 S108F41-V110 HydrophobicContact CD2-CG2 3.77Å; F41-V110 HydrophobicContact CE2-CG2 3.65Å; S108-V110 PolarHBondContact OG-N 2.68Å; S108-V110 PolarHBondContact OG-O 2.84Å

Retrieved 110 of 110 residues in 143.3 ms (Link to these results)

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