YD203_YEAST Loading...

Putative uncharacterized protein YDR203W

AlphaFold DB , UniProt , Accession A0A023PXI4, Species YEAST (Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Baker's yeast), Gene n/a, Length 105 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
1M51.8Low69.2Low186 Ų18660.7 Ų60.792%0.91629%0.293SS*.  0123.90-104.8167.7169.300107.1W3M1-W3 HydrophobicContact CB-CZ2 4.14Å; M1-W3 HydrophobicContact SD-CH2 3.74Å; M1-W3 HydrophobicContact SD-CZ2 3.84Å
2Y59.6Low69.5Low184 Ų18462 Ų6272%0.72231%0.307SS*.PPolyproline II helixtrans-83.6134.3165-68.2-79000106.8P26Y2-P26 WeakPolarHBondContact O-CB 3.5Å; Y2-P26 WeakPolarHBondContact O-CG 3.19Å
3W66.4Low69.5Low72 Ų7263.9 Ų63.927%0.27332%0.324SS..PPolyproline II helixtrans-97.1144.8178.4-67.9111.4000109.6M1 C5 E95 H96M1-W3 HydrophobicContact CB-CZ2 4.14Å; M1-W3 HydrophobicContact SD-CH2 3.74Å; M1-W3 HydrophobicContact SD-CZ2 3.84Å; W3-C5 PolarHBondContact O-N 3.26Å; W3-E95 HydrophobicContact CD2-CB 4.04Å; W3-E95 HydrophobicContact CD2-CG 4.07Å; W3-E95 HydrophobicContact CE3-CB 4.31Å; W3-E95 HydrophobicContact CE3-CG 4.36Å; W3-E95 HydrophobicContact CG-CB 4.42Å; W3-E95 HydrophobicContact CH2-CG 4.17Å; W3-E95 HydrophobicContact CZ2-CG 3.74Å; W3-E95 HydrophobicContact CZ3-CG 4.4Å; W3-H96 AromaticContact CH2-CD2 3.72Å; W3-H96 AromaticContact CH2-CE1 3.05Å; W3-H96 WeakPolarHBondContact CH2-CE1 3.43Å; W3-H96 AromaticContact CH2-CG 3.51Å; W3-H96 AromaticContact CH2-ND1 3.06Å; W3-H96 WeakPolarHBondContact CH2-ND1 3.39Å; W3-H96 AromaticContact CH2-NE2 3.44Å; W3-H96 WeakPolarHBondContact CH2-NE2 3.28Å; W3-H96 AromaticContact CZ2-CE1 3.45Å; W3-H96 VanDerWaalsContact CZ2-CE1 3.45Å; W3-H96 WeakPolarHBondContact CZ2-CE1 3.35Å; W3-H96 AromaticContact CZ2-ND1 3.45Å; W3-H96 WeakPolarHBondContact CZ2-ND1 3.46Å; W3-H96 AromaticContact CZ3-CG 3.9Å; W3-H96 AromaticContact CZ3-ND1 3.87Å
4P68.8Low69.9Low44 Ų4464.7 Ų64.729%0.28636%0.356SS..PPolyproline II helixtrans-53.8135.9166.5-18.528.5000109.4G24 P26 F94P4-G24 CarbonylContact C-O 3.57Å; P4-G24 VanDerWaalsContact CA-O 3.22Å; P4-G24 WeakPolarHBondContact CA-O 3.32Å; P4-P26 HydrophobicContact CG-CG 4.13Å; P4-F94 HydrophobicContact CB-CB 4.25Å; P4-F94 HydrophobicContact CB-CD2 4.31Å; P4-F94 WeakPolarHBondContact O-CD2 3.05Å; P4-F94 PolarHBondContact O-N 3.02Å
5C71.8Confident70.1Confident30 Ų3070.8 Ų70.820%0.20338%0.381CS..EExtended strand (participates in β ladder)trans-134.4141.7177.667.10000111.2W3 L23 G24 L92 L93W3-C5 PolarHBondContact O-N 3.26Å; C5-L23 CarbonylContact O-C 3.5Å; C5-L23 WeakPolarHBondContact O-CA 3.47Å; C5-G24 PolarHBondContact N-O 3.45Å; C5-G24 PolarHBondContact O-N 3.15Å; C5-L92 CarbonylContact C-O 3.55Å; C5-L92 WeakPolarHBondContact CA-O 3.33Å; C5-L92 WeakPolarHBondContact CB-O 3.45Å; C5-L93 HydrophobicContact CB-CD2 3.75Å
6L74.6Confident70Confident6 Ų669.6 Ų69.63%0.03138%0.38CS..EExtended strand (participates in β ladder)trans-109.6114.4167.4179.668000108I8 L21 S22 L23 I49 L51 L56 L92 F94L6-I8 HydrophobicContact CD2-CD1 4.13Å; L6-I8 HydrophobicContact CG-CD1 4.37Å; L6-I8 HydrophobicContact CG-CG1 4.26Å; L6-L21 HydrophobicContact CD1-CB 4.49Å; L6-S22 CarbonylContact C-O 3.52Å; L6-S22 WeakPolarHBondContact CA-O 3.3Å; L6-L23 HydrophobicContact CB-CD1 4.14Å; L6-L23 HydrophobicContact CD1-CB 4.23Å; L6-L23 HydrophobicContact CD1-CD1 4.3Å; L6-I49 HydrophobicContact CD2-CD1 4.01Å; L6-I49 HydrophobicContact CD2-CG2 4.43Å; L6-L51 HydrophobicContact CB-CD1 4.49Å; L6-L56 HydrophobicContact CD2-CD2 3.81Å; L6-L92 HydrophobicContact CB-CB 4.24Å; L6-L92 HydrophobicContact CD2-CD1 4.18Å; L6-L92 PolarHBondContact N-O 2.89Å; L6-L92 PolarHBondContact O-N 3.01Å; L6-F94 HydrophobicContact CB-CE2 3.95Å; L6-F94 HydrophobicContact CB-CZ 4.49Å
7V73.4Confident70Confident33 Ų3366.6 Ų66.620%0.236%0.362CS..EExtended strand (participates in β ladder)trans-100.9129.9175-177.60000108.5L21 S22 T89 L90 I91V7-L21 WeakPolarHBondContact O-CA 3.33Å; V7-S22 PolarHBondContact N-O 3.42Å; V7-S22 PolarHBondContact O-N 3.27Å; V7-T89 HydrophobicContact CG1-CG2 3.55Å; V7-L90 CarbonylContact C-O 3.48Å; V7-L90 WeakPolarHBondContact CA-O 3.41Å; V7-I91 HydrophobicContact CG1-CG1 4.32Å; V7-I91 HydrophobicContact CG2-CG1 4.27Å; V7-I91 HydrophobicContact CG2-CG2 4.34Å
8I74.3Confident69.9Low0 Ų063.1 Ų63.10%034%0.344CS..EExtended strand (participates in β ladder)trans-121.2111.7176.3-62.8163.1000108L6 L19 L20 L21 L56 I58 F67 L90L6-I8 HydrophobicContact CD2-CD1 4.13Å; L6-I8 HydrophobicContact CG-CD1 4.37Å; L6-I8 HydrophobicContact CG-CG1 4.26Å; I8-L19 HydrophobicContact CG2-CB 4.24Å; I8-L19 HydrophobicContact CG2-CD1 4.07Å; I8-L19 HydrophobicContact CG2-CD2 4.17Å; I8-L19 HydrophobicContact CG2-CG 4.4Å; I8-L20 VanDerWaalsContact CA-O 3.32Å; I8-L20 WeakPolarHBondContact CA-O 3.26Å; I8-L21 HydrophobicContact CD1-CD2 4.4Å; I8-L21 HydrophobicContact CG1-CD2 4.15Å; I8-L21 HydrophobicContact CG1-CG 4.25Å; I8-L56 HydrophobicContact CD1-CD2 3.14Å; I8-I58 HydrophobicContact CD1-CD1 4.01Å; I8-I58 HydrophobicContact CG2-CD1 4.35Å; I8-F67 HydrophobicContact CG2-CE2 4.38Å; I8-F67 HydrophobicContact CG2-CZ 4.2Å; I8-L90 HydrophobicContact CB-CB 4.26Å; I8-L90 HydrophobicContact CD1-CD2 4.11Å; I8-L90 PolarHBondContact N-O 3.45Å; I8-L90 PolarHBondContact O-N 2.78Å
9T73.9Confident69.9Low43 Ų4359.8 Ų59.826%0.26433%0.325SS..EExtended strand (participates in β ladder)trans-111.1116.3-180-56.60000109.5L20T9-L20 PolarHBondContact N-O 3.21Å; T9-L20 PolarHBondContact O-N 3.05Å
10P72.5Confident70Confident8 Ų858.9 Ų58.95%0.05232%0.32CS..EExtended strand (participates in β ladder)trans-71.2141.8168.532.2-35.7000110.7F17 C18 L19 F67 S88P10-F17 HydrophobicContact CB-CE1 4.32Å; P10-F17 HydrophobicContact CB-CE2 3.63Å; P10-F17 HydrophobicContact CB-CZ 3.34Å; P10-C18 WeakPolarHBondContact CA-O 3.13Å; P10-L19 HydrophobicContact CB-CD2 3.77Å; P10-F67 HydrophobicContact CB-CD1 4.31Å; P10-F67 HydrophobicContact CB-CE1 4.02Å; P10-F67 HydrophobicContact CG-CE1 3.9Å; P10-S88 WeakPolarHBondContact CD-O 3.4Å; P10-S88 WeakPolarHBondContact CG-O 3.43Å
11F74.4Confident70.1Confident62 Ų6256.6 Ų56.627%0.27231%0.308SS..EExtended strand (participates in β ladder)trans-151.1163.9171.367.5-77.1000110.2V13 C18 L20 L37F11-V13 HydrophobicContact CD2-CG2 3.69Å; F11-V13 HydrophobicContact CE2-CG2 3.35Å; F11-V13 HydrophobicContact CZ-CG2 4.48Å; F11-C18 HydrophobicContact CD1-CB 3.86Å; F11-C18 HydrophobicContact CD2-CB 4.09Å; F11-C18 HydrophobicContact CE1-CB 3.42Å; F11-C18 VanDerWaalsContact CE1-CB 3.42Å; F11-C18 HydrophobicContact CE2-CB 3.71Å; F11-C18 HydrophobicContact CG-CB 4.17Å; F11-C18 HydrophobicContact CZ-CB 3.35Å; F11-C18 PolarHBondContact N-O 3.26Å; F11-C18 PolarHBondContact O-N 2.72Å; F11-C18 VanDerWaalsContact O-O 3.12Å; F11-L20 HydrophobicContact CD1-CB 4.21Å; F11-L20 HydrophobicContact CE1-CB 3.84Å; F11-L37 HydrophobicContact CZ-CD1 4.02Å; F11-L37 HydrophobicContact CZ-CG 4.21Å
12T72.5Confident71Confident76 Ų7648.6 Ų48.647%0.46627%0.27SS..EExtended strand (participates in β ladder)trans-113.3138.4176.550.10000110.9S16 F17T12-S16 CarbonylContact C-O 3.57Å; T12-S16 VanDerWaalsContact CA-O 3.28Å; T12-S16 WeakPolarHBondContact CA-O 3.45Å; T12-F17 HydrophobicContact CG2-CD2 4.15Å
13V69.2Low71.7Confident87 Ų8741.2 Ų41.253%0.52724%0.243SC..EExtended strand (participates in β ladder)trans-124103.4170.2-1750000107.5F11 E15 S16F11-V13 HydrophobicContact CD2-CG2 3.69Å; F11-V13 HydrophobicContact CE2-CG2 3.35Å; F11-V13 HydrophobicContact CZ-CG2 4.48Å; V13-E15 PolarHBondContact O-N 2.89Å; V13-S16 PolarHBondContact N-O 3.02Å; V13-S16 WeakPolarHBondContact O-CB 3.25Å; V13-S16 PolarHBondContact O-N 2.89Å
14G75.7Confident72Confident75 Ų7537.9 Ų37.977%0.77323%0.231SC*.THydrogen-bonded Turntrans59.1-123.4-170.200000110.9S16G14-S16 VanDerWaalsContact C-N 3.35Å
15E72.9Confident72Confident156 Ų15638.3 Ų38.373%0.72923%0.23SC*.THydrogen-bonded Turntrans-87.5-2.2177.1-60.3-174.2-178.500114.2V13V13-E15 PolarHBondContact O-N 2.89Å
16S68.8Low71.6Confident52 Ų5238.6 Ų38.636%0.36423%0.232SC..EExtended strand (participates in β ladder)trans-92.2131.1-177.3-61.30000110.7T12 V13 G14T12-S16 CarbonylContact C-O 3.57Å; T12-S16 VanDerWaalsContact CA-O 3.28Å; T12-S16 WeakPolarHBondContact CA-O 3.45Å; V13-S16 PolarHBondContact N-O 3.02Å; V13-S16 WeakPolarHBondContact O-CB 3.25Å; V13-S16 PolarHBondContact O-N 2.89Å; G14-S16 VanDerWaalsContact C-N 3.35Å
17F69.6Low70.8Confident18 Ų1842.6 Ų42.68%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-86134.1164.7-173.9-105.1000108.6P10 T12 L19 M61 H65 F67 N86P10-F17 HydrophobicContact CB-CE1 4.32Å; P10-F17 HydrophobicContact CB-CE2 3.63Å; P10-F17 HydrophobicContact CB-CZ 3.34Å; T12-F17 HydrophobicContact CG2-CD2 4.15Å; F17-L19 HydrophobicContact CE1-CD2 3.7Å; F17-L19 HydrophobicContact CE1-CG 4.32Å; F17-L19 HydrophobicContact CZ-CD2 4.03Å; F17-M61 HydrophobicContact CD1-CE 3.99Å; F17-M61 HydrophobicContact CD1-CG 4.2Å; F17-M61 HydrophobicContact CD1-SD 3.63Å; F17-M61 HydrophobicContact CE1-CE 4.01Å; F17-M61 HydrophobicContact CE1-CG 4.34Å; F17-M61 HydrophobicContact CE1-SD 4.14Å; F17-H65 HydrophobicContact CD2-CB 3.67Å; F17-H65 AromaticContact CD2-ND1 3.78Å; F17-H65 HydrophobicContact CE2-CB 3.86Å; F17-H65 WeakPolarHBondContact CE2-O 3.1Å; F17-H65 WeakPolarHBondContact CZ-O 3.27Å; F17-F67 HydrophobicContact CE1-CB 4.31Å; F17-F67 HydrophobicContact CE1-CD1 4.29Å; F17-F67 HydrophobicContact CZ-CD1 4.02Å; F17-N86 HydrophobicContact CE2-CB 4.18Å
18C68.1Low70.3Confident4 Ų449.6 Ų49.63%0.02729%0.289CS..EExtended strand (participates in β ladder)trans-130.2149-176.7-65.60000109.3P10 F11P10-C18 WeakPolarHBondContact CA-O 3.13Å; F11-C18 HydrophobicContact CD1-CB 3.86Å; F11-C18 HydrophobicContact CD2-CB 4.09Å; F11-C18 HydrophobicContact CE1-CB 3.42Å; F11-C18 VanDerWaalsContact CE1-CB 3.42Å; F11-C18 HydrophobicContact CE2-CB 3.71Å; F11-C18 HydrophobicContact CG-CB 4.17Å; F11-C18 HydrophobicContact CZ-CB 3.35Å; F11-C18 PolarHBondContact N-O 3.26Å; F11-C18 PolarHBondContact O-N 2.72Å; F11-C18 VanDerWaalsContact O-O 3.12Å
19L69.1Low69.6Low0 Ų056.2 Ų56.20%033%0.33CS..EExtended strand (participates in β ladder)trans-113.8125.9167.7-62-176.6000108.6I8 P10 F17 L21 I40 I58 M61 F67I8-L19 HydrophobicContact CG2-CB 4.24Å; I8-L19 HydrophobicContact CG2-CD1 4.07Å; I8-L19 HydrophobicContact CG2-CD2 4.17Å; I8-L19 HydrophobicContact CG2-CG 4.4Å; P10-L19 HydrophobicContact CB-CD2 3.77Å; F17-L19 HydrophobicContact CE1-CD2 3.7Å; F17-L19 HydrophobicContact CE1-CG 4.32Å; F17-L19 HydrophobicContact CZ-CD2 4.03Å; L19-L21 HydrophobicContact CB-CD1 4.4Å; L19-I40 HydrophobicContact CB-CD1 3.78Å; L19-I40 HydrophobicContact CB-CG1 4.45Å; L19-I40 HydrophobicContact CD1-CD1 3.84Å; L19-I40 HydrophobicContact CG-CD1 3.96Å; L19-I58 HydrophobicContact CD1-CD1 3.54Å; L19-I58 HydrophobicContact CD1-CG2 4Å; L19-M61 HydrophobicContact CD1-CE 3.4Å; L19-M61 VanDerWaalsContact CD1-CE 3.4Å; L19-M61 HydrophobicContact CD2-CE 4.32Å; L19-M61 HydrophobicContact CG-CE 3.49Å; L19-M61 VanDerWaalsContact CG-CE 3.49Å; L19-F67 HydrophobicContact CD1-CD2 4.48Å; L19-F67 HydrophobicContact CD1-CG 4.45Å; L19-F67 HydrophobicContact CD2-CD1 3.9Å; L19-F67 HydrophobicContact CD2-CE1 4.05Å; L19-F67 HydrophobicContact CD2-CG 4.3Å
20L72.1Confident69Low42 Ų4256 Ų5622%0.2234%0.336CS..EExtended strand (participates in β ladder)trans-87.7122.1166179.464.8000107.7I8 T9 F11 L37I8-L20 VanDerWaalsContact CA-O 3.32Å; I8-L20 WeakPolarHBondContact CA-O 3.26Å; T9-L20 PolarHBondContact N-O 3.21Å; T9-L20 PolarHBondContact O-N 3.05Å; F11-L20 HydrophobicContact CD1-CB 4.21Å; F11-L20 HydrophobicContact CE1-CB 3.84Å; L20-L37 HydrophobicContact CD1-CD1 4.33Å
21L72.5Confident68.2Low11 Ų1160 Ų606%0.05836%0.355CS..EExtended strand (participates in β ladder)trans-105.1119172.4-62.3102.4000109.3L6 V7 I8 L19 W35 S36 S38 L47 I49L6-L21 HydrophobicContact CD1-CB 4.49Å; V7-L21 WeakPolarHBondContact O-CA 3.33Å; I8-L21 HydrophobicContact CD1-CD2 4.4Å; I8-L21 HydrophobicContact CG1-CD2 4.15Å; I8-L21 HydrophobicContact CG1-CG 4.25Å; L19-L21 HydrophobicContact CB-CD1 4.4Å; L21-W35 CarbonylContact O-C 3.5Å; L21-W35 WeakPolarHBondContact O-CA 3.34Å; L21-S36 PolarHBondContact N-O 3.44Å; L21-S36 VanDerWaalsContact N-O 3.15Å; L21-S36 PolarHBondContact O-N 2.64Å; L21-S38 WeakPolarHBondContact CD1-OG 3.32Å; L21-L47 HydrophobicContact CD1-CD2 4.02Å; L21-L47 HydrophobicContact CD2-CD2 3.81Å; L21-I49 HydrophobicContact CD2-CD1 3.24Å
22S71.9Confident66.9Low18 Ų1860.9 Ų60.913%0.12636%0.363CS..EExtended strand (participates in β ladder)trans-118.5110.6177.5-640000109.3L6 V7 I34L6-S22 CarbonylContact C-O 3.52Å; L6-S22 WeakPolarHBondContact CA-O 3.3Å; V7-S22 PolarHBondContact N-O 3.42Å; V7-S22 PolarHBondContact O-N 3.27Å; S22-I34 WeakPolarHBondContact CA-O 3.35Å
23L72.6Confident65.7Low28 Ų2861.4 Ų61.415%0.14736%0.363CS..EExtended strand (participates in β ladder)trans-92.8110.9169.7-174.773.7000108.5C5 L6 I25 N33 I34 L51C5-L23 CarbonylContact O-C 3.5Å; C5-L23 WeakPolarHBondContact O-CA 3.47Å; L6-L23 HydrophobicContact CB-CD1 4.14Å; L6-L23 HydrophobicContact CD1-CB 4.23Å; L6-L23 HydrophobicContact CD1-CD1 4.3Å; L23-I25 HydrophobicContact CD2-CD1 3.8Å; L23-I25 HydrophobicContact CD2-CG1 3.85Å; L23-I25 HydrophobicContact CG-CD1 4.43Å; L23-I25 HydrophobicContact CG-CG1 3.93Å; L23-N33 CarbonylContact O-C 3.6Å; L23-N33 WeakPolarHBondContact O-CA 3.19Å; L23-I34 HydrophobicContact CB-CB 4.28Å; L23-I34 HydrophobicContact CD2-CD1 4.37Å; L23-I34 PolarHBondContact N-O 2.97Å; L23-I34 PolarHBondContact O-N 3.21Å; L23-L51 HydrophobicContact CD1-CD1 3.84Å; L23-L51 HydrophobicContact CD1-CD2 4.45Å; L23-L51 HydrophobicContact CD2-CD2 4.46Å
24G72.8Confident65Low2 Ų261.5 Ų61.52%0.02136%0.359CS..EExtended strand (participates in β ladder)trans-88111.7168.300000109.4P4 C5P4-G24 CarbonylContact C-O 3.57Å; P4-G24 VanDerWaalsContact CA-O 3.22Å; P4-G24 WeakPolarHBondContact CA-O 3.32Å; C5-G24 PolarHBondContact N-O 3.45Å; C5-G24 PolarHBondContact O-N 3.15Å
25I69.8Low63.9Low54 Ų5466.2 Ų66.228%0.27735%0.354SS..EExtended strand (participates in β ladder)trans-102.2117.1171.2-55.4176.4000107.9L23 L27 I31 L32 I34L23-I25 HydrophobicContact CD2-CD1 3.8Å; L23-I25 HydrophobicContact CD2-CG1 3.85Å; L23-I25 HydrophobicContact CG-CD1 4.43Å; L23-I25 HydrophobicContact CG-CG1 3.93Å; I25-L27 HydrophobicContact CG2-CD2 4.34Å; I25-L27 PolarHBondContact O-N 2.9Å; I25-I31 CarbonylContact O-C 3.46Å; I25-I31 WeakPolarHBondContact O-CA 3.22Å; I25-L32 HydrophobicContact CB-CB 4.34Å; I25-L32 HydrophobicContact CD1-CD2 4.49Å; I25-L32 PolarHBondContact N-O 2.95Å; I25-L32 PolarHBondContact O-N 2.91Å; I25-I34 HydrophobicContact CD1-CD1 4.34Å
26P63Low62.9Low36 Ų3661.9 Ų61.923%0.23434%0.341CS..EExtended strand (participates in β ladder)trans-65.7126.1171.131-37.2000109.5Y2 P4Y2-P26 WeakPolarHBondContact O-CB 3.5Å; Y2-P26 WeakPolarHBondContact O-CG 3.19Å; P4-P26 HydrophobicContact CG-CG 4.13Å
27L58.1Low61.9Low90 Ų9065.2 Ų65.247%0.47135%0.354SS..EExtended strand (participates in β ladder)trans-113.8157.8170.7-61178.1000108.2I25 T29 G30 L32I25-L27 HydrophobicContact CG2-CD2 4.34Å; I25-L27 PolarHBondContact O-N 2.9Å; L27-T29 PolarHBondContact O-N 2.89Å; L27-G30 CarbonylContact C-O 3.52Å; L27-G30 WeakPolarHBondContact CA-O 3.43Å; L27-G30 PolarHBondContact N-O 2.87Å; L27-G30 PolarHBondContact O-N 3.1Å; L27-G30 VanDerWaalsContact O-N 3.07Å; L27-L32 HydrophobicContact CD1-CB 3.76Å; L27-L32 HydrophobicContact CG-CB 4.22Å
28D62.2Low61.1Low180 Ų18066 Ų6696%0.96336%0.362SS*.THydrogen-bonded Turntrans-56.3-24.2176-63.6-29.8000112.6
29T59.9Low60.2Low139 Ų13969.4 Ų69.485%0.85339%0.386SS*.THydrogen-bonded Turntrans-104.70.8-177.861.60000114.6L27L27-T29 PolarHBondContact O-N 2.89Å
30G61.1Low59.5Low38 Ų3869.6 Ų69.639%0.39239%0.386SS..EExtended strand (participates in β ladder)trans152.9-155-176.300000114.4L27L27-G30 CarbonylContact C-O 3.52Å; L27-G30 WeakPolarHBondContact CA-O 3.43Å; L27-G30 PolarHBondContact N-O 2.87Å; L27-G30 PolarHBondContact O-N 3.1Å; L27-G30 VanDerWaalsContact O-N 3.07Å
31I56.4Low58.5Low91 Ų9170.3 Ų70.347%0.46740%0.395SS..EExtended strand (participates in β ladder)trans-117.3119.9175.7-60.4172.9000108.4I25 N33I25-I31 CarbonylContact O-C 3.46Å; I25-I31 WeakPolarHBondContact O-CA 3.22Å; I31-N33 PolarHBondContact O-N 2.83Å
32L46.7Very low57.5Low81 Ų8178.4 Ų78.442%0.42443%0.425SS..EExtended strand (participates in β ladder)trans-79.2114.5167.1177.166.4000108.3I25 L27 I34I25-L32 HydrophobicContact CB-CB 4.34Å; I25-L32 HydrophobicContact CD1-CD2 4.49Å; I25-L32 PolarHBondContact N-O 2.95Å; I25-L32 PolarHBondContact O-N 2.91Å; L27-L32 HydrophobicContact CD1-CB 3.76Å; L27-L32 HydrophobicContact CG-CB 4.22Å; L32-I34 HydrophobicContact CD2-CD1 4.39Å; L32-I34 HydrophobicContact CD2-CG1 4.29Å; L32-I34 HydrophobicContact CG-CG1 4.2Å
33N48.3Very low56.7Low87 Ų8785 Ų8547%0.46545%0.453SS..EExtended strand (participates in β ladder)trans-98109.1175.8-87.5-40.9000109.2L23 I31L23-N33 CarbonylContact O-C 3.6Å; L23-N33 WeakPolarHBondContact O-CA 3.19Å; I31-N33 PolarHBondContact O-N 2.83Å
34I54.2Low55.9Low90 Ų9085.7 Ų85.746%0.46246%0.457SS..EExtended strand (participates in β ladder)trans-93.9113.6170.1-55.2179.3000107.3S22 L23 I25 L32S22-I34 WeakPolarHBondContact CA-O 3.35Å; L23-I34 HydrophobicContact CB-CB 4.28Å; L23-I34 HydrophobicContact CD2-CD1 4.37Å; L23-I34 PolarHBondContact N-O 2.97Å; L23-I34 PolarHBondContact O-N 3.21Å; I25-I34 HydrophobicContact CD1-CD1 4.34Å; L32-I34 HydrophobicContact CD2-CD1 4.39Å; L32-I34 HydrophobicContact CD2-CG1 4.29Å; L32-I34 HydrophobicContact CG-CG1 4.2Å
35W50.9Low55.3Low174 Ų17493.7 Ų93.766%0.65949%0.494SS*.EExtended strand (participates in β ladder)trans-102.7123.3177-59.3-3.8000108.9L21L21-W35 CarbonylContact O-C 3.5Å; L21-W35 WeakPolarHBondContact O-CA 3.34Å
36S53.3Low55Low65 Ų6597.5 Ų97.546%0.45551%0.509SS..EExtended strand (participates in β ladder)trans-108.7114.4164.5-173.60000108.1L21 S38L21-S36 PolarHBondContact N-O 3.44Å; L21-S36 VanDerWaalsContact N-O 3.15Å; L21-S36 PolarHBondContact O-N 2.64Å; S36-S38 PolarHBondContact O-N 2.89Å
37L47.5Very low55.1Low121 Ų12197.9 Ų97.963%0.63451%0.508SS*.EExtended strand (participates in β ladder)trans-94.781.2169.7-159.8135.7000107.6F11 L20 S39F11-L37 HydrophobicContact CZ-CD1 4.02Å; F11-L37 HydrophobicContact CZ-CG 4.21Å; L20-L37 HydrophobicContact CD1-CD1 4.33Å; L37-S39 PolarHBondContact O-N 2.88Å
38S53.6Low55.4Low36 Ų3696.9 Ų96.925%0.25251%0.509SS..EExtended strand (participates in β ladder)trans-78.7115164.4400000107.6L21 S36 I40L21-S38 WeakPolarHBondContact CD1-OG 3.32Å; S36-S38 PolarHBondContact O-N 2.89Å; S38-I40 WeakPolarHBondContact O-CG1 3.47Å; S38-I40 PolarHBondContact O-N 2.8Å; S38-I40 WeakPolarHBondContact OG-CG1 3.45Å
39S47.8Very low55.6Low75 Ų7590.4 Ų90.452%0.52447%0.474SS..  trans-65.196.1155.9177.70000105.5L37 S41L37-S39 PolarHBondContact O-N 2.88Å; S39-S41 VanDerWaalsContact C-N 3.27Å; S39-S41 PolarHBondContact O-N 2.78Å
40I53.9Low55.7Low3 Ų391 Ų912%0.01547%0.469CS..  trans-82.788180-58-165.5000106.3L19 S38 L44 L47 M61L19-I40 HydrophobicContact CB-CD1 3.78Å; L19-I40 HydrophobicContact CB-CG1 4.45Å; L19-I40 HydrophobicContact CD1-CD1 3.84Å; L19-I40 HydrophobicContact CG-CD1 3.96Å; S38-I40 WeakPolarHBondContact O-CG1 3.47Å; S38-I40 PolarHBondContact O-N 2.8Å; S38-I40 WeakPolarHBondContact OG-CG1 3.45Å; I40-L44 HydrophobicContact CB-CB 4.44Å; I40-L44 HydrophobicContact CD1-CD1 4.37Å; I40-L44 HydrophobicContact CD1-CD2 4.22Å; I40-L44 HydrophobicContact CG2-CB 2.98Å; I40-L44 HydrophobicContact CG2-CD1 3.61Å; I40-L44 HydrophobicContact CG2-CD2 3.54Å; I40-L44 HydrophobicContact CG2-CG 3.47Å; I40-L44 VanDerWaalsContact CG2-CG 3.47Å; I40-L47 HydrophobicContact CD1-CD2 4.14Å; I40-M61 HydrophobicContact CB-CE 3.54Å; I40-M61 HydrophobicContact CB-SD 3.85Å; I40-M61 HydrophobicContact CD1-CE 3.78Å; I40-M61 HydrophobicContact CG1-CE 4.2Å; I40-M61 HydrophobicContact CG2-CE 3.23Å; I40-M61 HydrophobicContact CG2-SD 3.33Å; I40-M61 WeakPolarHBondContact CG2-SD 2.98Å
41S51Low55.7Low57 Ų5791.8 Ų91.840%0.39946%0.464SS..  trans-52.8162.8176.373.60000111.2S39 H43 L44S39-S41 VanDerWaalsContact C-N 3.27Å; S39-S41 PolarHBondContact O-N 2.78Å; S41-H43 PolarHBondContact O-N 2.95Å; S41-H43 PolarHBondContact OG-N 2.83Å; S41-L44 PolarHBondContact O-N 2.8Å
42R53.1Low56.1Low181 Ų18190.2 Ų90.268%0.68347%0.47SS*.THydrogen-bonded Turntrans-51.3-6.4174-64.3-175.5-176.9172.84.8114.6
43H54.7Low57.1Low156 Ų15690.7 Ų90.772%0.72247%0.473SS*.THydrogen-bonded Turntrans-105.69-178.7-57.8-63000114.8S41 E45S41-H43 PolarHBondContact O-N 2.95Å; S41-H43 PolarHBondContact OG-N 2.83Å; H43-E45 PolarHBondContact O-N 2.95Å
44L56.4Low57.8Low44 Ų4486.9 Ų86.923%0.2345%0.453CS..  trans-71.198.9172-174108.9000110.3I40 S41 K46 L47 M61I40-L44 HydrophobicContact CB-CB 4.44Å; I40-L44 HydrophobicContact CD1-CD1 4.37Å; I40-L44 HydrophobicContact CD1-CD2 4.22Å; I40-L44 HydrophobicContact CG2-CB 2.98Å; I40-L44 HydrophobicContact CG2-CD1 3.61Å; I40-L44 HydrophobicContact CG2-CD2 3.54Å; I40-L44 HydrophobicContact CG2-CG 3.47Å; I40-L44 VanDerWaalsContact CG2-CG 3.47Å; S41-L44 PolarHBondContact O-N 2.8Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-L47 HydrophobicContact CD1-CB 4.15Å; L44-L47 HydrophobicContact CD2-CB 3.82Å; L44-M61 HydrophobicContact CD2-CE 4.41Å
45E59Low58.4Low169 Ų16983.4 Ų83.479%0.7944%0.439SS*.  trans-67.9-36.8174.1-63-176.2165.400110.9H43 S59H43-E45 PolarHBondContact O-N 2.95Å; E45-S59 CarbonylContact O-C 3.58Å; E45-S59 WeakPolarHBondContact O-CA 3.18Å
46K63.8Low59.3Low135 Ų13575.4 Ų75.459%0.58741%0.409SS*.  trans-164.3130.2-177-156.5174.1-178.31800113.6L44 T57 I58L44-K46 VanDerWaalsContact C-N 3.32Å; K46-T57 HydrophobicContact CD-CG2 4.12Å; K46-T57 HydrophobicContact CG-CG2 3.71Å; K46-I58 CarbonylContact C-O 3.59Å; K46-I58 VanDerWaalsContact CA-O 3.3Å; K46-I58 WeakPolarHBondContact CA-O 3.22Å
47L66.2Low60Low43 Ų4373.5 Ų73.523%0.22540%0.395CS..EExtended strand (participates in β ladder)trans-115.3120.6163.3174.162.8000108.1L21 I40 L44 I49 T57 I58L21-L47 HydrophobicContact CD1-CD2 4.02Å; L21-L47 HydrophobicContact CD2-CD2 3.81Å; I40-L47 HydrophobicContact CD1-CD2 4.14Å; L44-L47 HydrophobicContact CD1-CB 4.15Å; L44-L47 HydrophobicContact CD2-CB 3.82Å; L47-I49 HydrophobicContact CD1-CG1 4.48Å; L47-I49 HydrophobicContact CD2-CD1 4.34Å; L47-I49 HydrophobicContact CG-CD1 4.46Å; L47-I49 HydrophobicContact CG-CG1 4.38Å; L47-T57 CarbonylContact O-C 3.56Å; L47-T57 VanDerWaalsContact O-CA 3.29Å; L47-T57 WeakPolarHBondContact O-CA 3.44Å; L47-I58 HydrophobicContact CB-CB 4.33Å; L47-I58 HydrophobicContact CD2-CD1 4.21Å; L47-I58 PolarHBondContact N-O 2.72Å; L47-I58 PolarHBondContact O-N 2.76Å
48S63.3Low61Low70 Ų7067.8 Ų67.849%0.4937%0.365SS..EExtended strand (participates in β ladder)trans-118.2129.7175.9-67.70000110.5L56 T57S48-L56 CarbonylContact C-O 3.56Å; S48-L56 VanDerWaalsContact CA-O 3.25Å; S48-L56 WeakPolarHBondContact CA-O 3.25Å; S48-T57 PolarHBondContact OG-OG1 3.45Å
49I67.2Low61.5Low43 Ų4368.4 Ų68.422%0.22137%0.369CS..EExtended strand (participates in β ladder)trans-122128.7178.3-60.8168.5000107.2L6 L21 L47 L51 G55 L56L6-I49 HydrophobicContact CD2-CD1 4.01Å; L6-I49 HydrophobicContact CD2-CG2 4.43Å; L21-I49 HydrophobicContact CD2-CD1 3.24Å; L47-I49 HydrophobicContact CD1-CG1 4.48Å; L47-I49 HydrophobicContact CD2-CD1 4.34Å; L47-I49 HydrophobicContact CG-CD1 4.46Å; L47-I49 HydrophobicContact CG-CG1 4.38Å; I49-L51 HydrophobicContact CG2-CD1 4.35Å; I49-L51 HydrophobicContact CG2-CG 4.17Å; I49-G55 CarbonylContact O-C 3.57Å; I49-G55 WeakPolarHBondContact O-CA 3.36Å; I49-L56 HydrophobicContact CB-CB 4.49Å; I49-L56 PolarHBondContact N-O 3.13Å; I49-L56 PolarHBondContact O-N 3.47Å
50M61Low62.2Low152 Ų15267.4 Ų67.475%0.74936%0.362SS*.EExtended strand (participates in β ladder)trans-113.7122.3175.7-171170172.100109.4G52 C54M50-G52 WeakPolarHBondContact CE-O 3.3Å; M50-C54 WeakPolarHBondContact CA-O 3.41Å
51L61.8Low62.3Low55 Ų5568.6 Ų68.629%0.28837%0.368SS..EExtended strand (participates in β ladder)trans-121.296.3175-69.6168.3000107.5L6 L23 I49 N53 C54 F94L6-L51 HydrophobicContact CB-CD1 4.49Å; L23-L51 HydrophobicContact CD1-CD1 3.84Å; L23-L51 HydrophobicContact CD1-CD2 4.45Å; L23-L51 HydrophobicContact CD2-CD2 4.46Å; I49-L51 HydrophobicContact CG2-CD1 4.35Å; I49-L51 HydrophobicContact CG2-CG 4.17Å; L51-N53 PolarHBondContact O-N 2.83Å; L51-C54 PolarHBondContact N-O 3.04Å; L51-C54 PolarHBondContact O-N 2.81Å; L51-F94 HydrophobicContact CB-CE1 3.92Å; L51-F94 HydrophobicContact CB-CZ 4.02Å; L51-F94 HydrophobicContact CD1-CD2 4.32Å; L51-F94 HydrophobicContact CD1-CE1 4.04Å; L51-F94 HydrophobicContact CD1-CE2 3.42Å; L51-F94 VanDerWaalsContact CD1-CE2 3.42Å; L51-F94 HydrophobicContact CD1-CZ 3.26Å; L51-F94 HydrophobicContact CG-CZ 4.25Å
52G64.7Low62.5Low58 Ų5868.1 Ų68.160%0.59837%0.365SS*.THydrogen-bonded Turntrans55.7-120.1-173.100000111.6M50 C54M50-G52 WeakPolarHBondContact CE-O 3.3Å; G52-C54 VanDerWaalsContact C-N 3.27Å; G52-C54 PolarHBondContact O-N 3.01Å
53N66.5Low62.7Low90 Ų9068.5 Ų68.548%0.48137%0.374SS..THydrogen-bonded Turntrans-83.34.3-179-80.2-6.7000114.5L51 S74L51-N53 PolarHBondContact O-N 2.83Å; N53-S74 VanDerWaalsContact CB-OG 3.32Å; N53-S74 WeakPolarHBondContact CB-OG 3.29Å; N53-S74 VanDerWaalsContact O-CB 3.32Å; N53-S74 WeakPolarHBondContact O-CB 3.33Å; N53-S74 PolarHBondContact O-N 3.42Å
54C63.3Low63.2Low7 Ų768.8 Ų68.85%0.04738%0.376CS..EExtended strand (participates in β ladder)trans-115.4119.2-177.1-58.30000109.9M50 L51 G52 L73 F94 C99M50-C54 WeakPolarHBondContact CA-O 3.41Å; L51-C54 PolarHBondContact N-O 3.04Å; L51-C54 PolarHBondContact O-N 2.81Å; G52-C54 VanDerWaalsContact C-N 3.27Å; G52-C54 PolarHBondContact O-N 3.01Å; C54-L73 HydrophobicContact CB-CD2 4Å; C54-L73 VanDerWaalsContact SG-CD2 3.54Å; C54-F94 HydrophobicContact CB-CD1 4.33Å; C54-F94 HydrophobicContact CB-CE1 3.73Å; C54-C99 HydrophobicContact CB-CB 4.33Å
55G66.6Low63.8Low17 Ų1769.9 Ų69.918%0.17538%0.38CS..EExtended strand (participates in β ladder)trans-104.7119171.800000110.5I49 K72I49-G55 CarbonylContact O-C 3.57Å; I49-G55 WeakPolarHBondContact O-CA 3.36Å; G55-K72 PolarHBondContact N-O 3.07Å; G55-K72 WeakPolarHBondContact O-CA 3.14Å; G55-K72 PolarHBondContact O-N 2.94Å
56L71.4Confident64.2Low6 Ų662.9 Ų62.93%0.03135%0.35CS..EExtended strand (participates in β ladder)trans-92.5136.6164.5-179.968.1000109L6 I8 S48 I49 I58 A69 L71 L90 L92L6-L56 HydrophobicContact CD2-CD2 3.81Å; I8-L56 HydrophobicContact CD1-CD2 3.14Å; S48-L56 CarbonylContact C-O 3.56Å; S48-L56 VanDerWaalsContact CA-O 3.25Å; S48-L56 WeakPolarHBondContact CA-O 3.25Å; I49-L56 HydrophobicContact CB-CB 4.49Å; I49-L56 PolarHBondContact N-O 3.13Å; I49-L56 PolarHBondContact O-N 3.47Å; L56-I58 HydrophobicContact CD2-CG1 4.41Å; L56-A69 HydrophobicContact CD1-CB 4.07Å; L56-L71 HydrophobicContact CD1-CD1 4.46Å; L56-L90 HydrophobicContact CD1-CD2 4.39Å; L56-L92 HydrophobicContact CB-CD1 4.12Å; L56-L92 HydrophobicContact CD1-CD1 4.04Å; L56-L92 HydrophobicContact CD2-CD1 3.88Å; L56-L92 HydrophobicContact CG-CD1 4.22Å
57T67.2Low64.5Low25 Ų2556.5 Ų56.515%0.15332%0.322CS..EExtended strand (participates in β ladder)trans-128.4129.7169.9-67.80000109.6K46 L47 S48 A69 S70K46-T57 HydrophobicContact CD-CG2 4.12Å; K46-T57 HydrophobicContact CG-CG2 3.71Å; L47-T57 CarbonylContact O-C 3.56Å; L47-T57 VanDerWaalsContact O-CA 3.29Å; L47-T57 WeakPolarHBondContact O-CA 3.44Å; S48-T57 PolarHBondContact OG-OG1 3.45Å; T57-A69 CarbonylContact O-C 3.53Å; T57-A69 VanDerWaalsContact O-CA 3.3Å; T57-A69 WeakPolarHBondContact O-CA 3.44Å; T57-S70 PolarHBondContact N-O 2.81Å; T57-S70 PolarHBondContact O-N 2.77Å
58I69.4Low64.8Low1 Ų156.2 Ų56.21%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-108.7116.5170.7-51.8179.1000106I8 L19 K46 L47 L56 F67 T68 A69I8-I58 HydrophobicContact CD1-CD1 4.01Å; I8-I58 HydrophobicContact CG2-CD1 4.35Å; L19-I58 HydrophobicContact CD1-CD1 3.54Å; L19-I58 HydrophobicContact CD1-CG2 4Å; K46-I58 CarbonylContact C-O 3.59Å; K46-I58 VanDerWaalsContact CA-O 3.3Å; K46-I58 WeakPolarHBondContact CA-O 3.22Å; L47-I58 HydrophobicContact CB-CB 4.33Å; L47-I58 HydrophobicContact CD2-CD1 4.21Å; L47-I58 PolarHBondContact N-O 2.72Å; L47-I58 PolarHBondContact O-N 2.76Å; L56-I58 HydrophobicContact CD2-CG1 4.41Å; I58-F67 HydrophobicContact CG2-CB 4.29Å; I58-F67 HydrophobicContact CG2-CD2 4.04Å; I58-T68 WeakPolarHBondContact CA-O 3.39Å; I58-A69 HydrophobicContact CG1-CB 4.4Å
59S63.2Low65.1Low49 Ų4953 Ų5334%0.34330%0.299SS..EExtended strand (participates in β ladder)trans-129.16.8-166.261.90000115.8E45 T68E45-S59 CarbonylContact O-C 3.58Å; E45-S59 WeakPolarHBondContact O-CA 3.18Å; S59-T68 PolarHBondContact N-O 2.83Å; S59-T68 VanDerWaalsContact N-O 3.13Å
60S61.7Low65.2Low54 Ų5451.7 Ų51.738%0.37829%0.294SS..EExtended strand (participates in β ladder)trans-158.9123.6174.3-179.70000109F67 T68S60-F67 CarbonylContact O-C 3.58Å; S60-F67 WeakPolarHBondContact O-CA 3.37Å; S60-T68 PolarHBondContact O-N 2.84Å
61M57Low65.5Low28 Ų2844.8 Ų44.814%0.13826%0.26CS..EExtended strand (participates in β ladder)trans-106.2106.8163.2-69.6-174.2172.700107.1F17 L19 I40 L44 S66 F67F17-M61 HydrophobicContact CD1-CE 3.99Å; F17-M61 HydrophobicContact CD1-CG 4.2Å; F17-M61 HydrophobicContact CD1-SD 3.63Å; F17-M61 HydrophobicContact CE1-CE 4.01Å; F17-M61 HydrophobicContact CE1-CG 4.34Å; F17-M61 HydrophobicContact CE1-SD 4.14Å; L19-M61 HydrophobicContact CD1-CE 3.4Å; L19-M61 VanDerWaalsContact CD1-CE 3.4Å; L19-M61 HydrophobicContact CD2-CE 4.32Å; L19-M61 HydrophobicContact CG-CE 3.49Å; L19-M61 VanDerWaalsContact CG-CE 3.49Å; I40-M61 HydrophobicContact CB-CE 3.54Å; I40-M61 HydrophobicContact CB-SD 3.85Å; I40-M61 HydrophobicContact CD1-CE 3.78Å; I40-M61 HydrophobicContact CG1-CE 4.2Å; I40-M61 HydrophobicContact CG2-CE 3.23Å; I40-M61 HydrophobicContact CG2-SD 3.33Å; I40-M61 WeakPolarHBondContact CG2-SD 2.98Å; L44-M61 HydrophobicContact CD2-CE 4.41Å; M61-S66 CarbonylContact C-O 3.56Å; M61-S66 WeakPolarHBondContact CA-O 3.31Å; M61-F67 HydrophobicContact CG-CB 4.41Å
62S54.3Low65.7Low47 Ų4748.6 Ų48.633%0.32928%0.275SS..EExtended strand (participates in β ladder)trans-76.2159.4176.490.70000110.1E64 H65 S66S62-E64 PolarHBondContact O-N 2.84Å; S62-E64 PolarHBondContact OG-N 2.89Å; S62-H65 PolarHBondContact O-N 3.35Å; S62-S66 PolarHBondContact N-O 3.41Å; S62-S66 PolarHBondContact OG-OG 3.35Å
63Q58.7Low65.7Low189 Ų18946.2 Ų46.288%0.88325%0.248SC*.THydrogen-bonded Turntrans-56.4-21.4176.3-67.7179.1-10.800112.9H65Q63-H65 PolarHBondContact O-N 2.82Å
64E64.6Low65.6Low163 Ų16345.4 Ų45.476%0.76225%0.25SC*.THydrogen-bonded Turntrans-84.724.3-179.3-60.1-172.3162.400113.7S62 S66S62-E64 PolarHBondContact O-N 2.84Å; S62-E64 PolarHBondContact OG-N 2.89Å; E64-S66 PolarHBondContact O-N 3.04Å
65H69.2Low65.7Low67 Ų6750.4 Ų50.431%0.3127%0.268SS..THydrogen-bonded Turntrans55.235.4-177.8-56-72.9000113F17 S62 Q63 N86F17-H65 HydrophobicContact CD2-CB 3.67Å; F17-H65 AromaticContact CD2-ND1 3.78Å; F17-H65 HydrophobicContact CE2-CB 3.86Å; F17-H65 WeakPolarHBondContact CE2-O 3.1Å; F17-H65 WeakPolarHBondContact CZ-O 3.27Å; S62-H65 PolarHBondContact O-N 3.35Å; Q63-H65 PolarHBondContact O-N 2.82Å; H65-N86 HydrophobicContact CB-CB 3.67Å; H65-N86 VanDerWaalsContact O-CA 3.26Å; H65-N86 WeakPolarHBondContact O-CA 3.47Å; H65-N86 VanDerWaalsContact O-CB 3.25Å; H65-N86 WeakPolarHBondContact O-CB 3.11Å; H65-N86 PolarHBondContact O-N 2.87Å; H65-N86 VanDerWaalsContact O-N 3.1Å
66S67.8Low65.4Low22 Ų2252.9 Ų52.915%0.15428%0.277CS..EExtended strand (participates in β ladder)trans-113.5152.3175.462.80000110.6M61 S62 E64 F84M61-S66 CarbonylContact C-O 3.56Å; M61-S66 WeakPolarHBondContact CA-O 3.31Å; S62-S66 PolarHBondContact N-O 3.41Å; S62-S66 PolarHBondContact OG-OG 3.35Å; E64-S66 PolarHBondContact O-N 3.04Å; S66-F84 CarbonylContact C-O 3.5Å; S66-F84 WeakPolarHBondContact CA-O 3.47Å; S66-F84 WeakPolarHBondContact CB-O 3.44Å
67F70.1Confident65.1Low0 Ų059 Ų590%032%0.32CS..EExtended strand (participates in β ladder)trans-128.314417571.6-83.8000112.1I8 P10 F17 L19 I58 S60 M61 A69 F84 L90I8-F67 HydrophobicContact CG2-CE2 4.38Å; I8-F67 HydrophobicContact CG2-CZ 4.2Å; P10-F67 HydrophobicContact CB-CD1 4.31Å; P10-F67 HydrophobicContact CB-CE1 4.02Å; P10-F67 HydrophobicContact CG-CE1 3.9Å; F17-F67 HydrophobicContact CE1-CB 4.31Å; F17-F67 HydrophobicContact CE1-CD1 4.29Å; F17-F67 HydrophobicContact CZ-CD1 4.02Å; L19-F67 HydrophobicContact CD1-CD2 4.48Å; L19-F67 HydrophobicContact CD1-CG 4.45Å; L19-F67 HydrophobicContact CD2-CD1 3.9Å; L19-F67 HydrophobicContact CD2-CE1 4.05Å; L19-F67 HydrophobicContact CD2-CG 4.3Å; I58-F67 HydrophobicContact CG2-CB 4.29Å; I58-F67 HydrophobicContact CG2-CD2 4.04Å; S60-F67 CarbonylContact O-C 3.58Å; S60-F67 WeakPolarHBondContact O-CA 3.37Å; M61-F67 HydrophobicContact CG-CB 4.41Å; F67-A69 HydrophobicContact CD2-CB 4.32Å; F67-A69 HydrophobicContact CE2-CB 4.18Å; F67-F84 HydrophobicContact CD1-CB 3.81Å; F67-F84 HydrophobicContact CD2-CB 4.31Å; F67-F84 HydrophobicContact CD2-CD2 4.06Å; F67-F84 HydrophobicContact CE1-CB 3.36Å; F67-F84 HydrophobicContact CE1-CD2 4.5Å; F67-F84 HydrophobicContact CE1-CG 4.13Å; F67-F84 HydrophobicContact CE2-CB 3.91Å; F67-F84 AromaticContact CE2-CD2 3.48Å; F67-F84 HydrophobicContact CE2-CD2 3.48Å; F67-F84 VanDerWaalsContact CE2-CD2 3.48Å; F67-F84 HydrophobicContact CE2-CE2 4.29Å; F67-F84 AromaticContact CE2-CG 3.91Å; F67-F84 HydrophobicContact CE2-CG 3.91Å; F67-F84 HydrophobicContact CG-CB 4.28Å; F67-F84 HydrophobicContact CZ-CB 3.42Å; F67-F84 VanDerWaalsContact CZ-CB 3.42Å; F67-F84 AromaticContact CZ-CD2 3.75Å; F67-F84 HydrophobicContact CZ-CD2 3.75Å; F67-F84 AromaticContact CZ-CG 3.65Å; F67-F84 HydrophobicContact CZ-CG 3.65Å; F67-F84 PolarHBondContact N-O 2.74Å; F67-F84 PolarHBondContact O-N 3Å; F67-L90 HydrophobicContact CZ-CB 4.37Å
68T71.5Confident65.2Low37 Ų3761.8 Ų61.823%0.22734%0.341CS..EExtended strand (participates in β ladder)trans-99.4128.1169.4-51.60000109.7I58 S59 S60 N81 L82I58-T68 WeakPolarHBondContact CA-O 3.39Å; S59-T68 PolarHBondContact N-O 2.83Å; S59-T68 VanDerWaalsContact N-O 3.13Å; S60-T68 PolarHBondContact O-N 2.84Å; T68-N81 HydrophobicContact CG2-CB 4.29Å; T68-L82 CarbonylContact C-O 3.48Å; T68-L82 WeakPolarHBondContact CA-O 3.34Å
69A70.8Confident65.2Low2 Ų263.4 Ų63.42%0.01735%0.354CS..EExtended strand (participates in β ladder)trans-115.7131.6170.800000110.8L56 T57 I58 F67 L82 F84 L90L56-A69 HydrophobicContact CD1-CB 4.07Å; T57-A69 CarbonylContact O-C 3.53Å; T57-A69 VanDerWaalsContact O-CA 3.3Å; T57-A69 WeakPolarHBondContact O-CA 3.44Å; I58-A69 HydrophobicContact CG1-CB 4.4Å; F67-A69 HydrophobicContact CD2-CB 4.32Å; F67-A69 HydrophobicContact CE2-CB 4.18Å; A69-L82 PolarHBondContact N-O 2.58Å; A69-L82 PolarHBondContact O-N 2.9Å; A69-F84 HydrophobicContact CB-CD2 4.31Å; A69-F84 HydrophobicContact CB-CE2 3.95Å; A69-L90 HydrophobicContact CB-CD2 3.98Å
70S68.1Low65.5Low16 Ų1663.8 Ų63.811%0.11236%0.356CS..EExtended strand (participates in β ladder)trans-103.5121.4171.5-47.70000109.2T57 P80 N81T57-S70 PolarHBondContact N-O 2.81Å; T57-S70 PolarHBondContact O-N 2.77Å; S70-P80 VanDerWaalsContact CA-O 3.31Å; S70-P80 WeakPolarHBondContact CA-O 3.33Å; S70-N81 VanDerWaalsContact CB-OD1 3.27Å; S70-N81 WeakPolarHBondContact CB-OD1 3.22Å; S70-N81 PolarHBondContact OG-OD1 2.85Å
71L67.5Low65.9Low7 Ų766.6 Ų66.64%0.03737%0.366CS..EExtended strand (participates in β ladder)trans-97.3105.6173-177.367.8000109.3L56 L73 A79 P80 L92 C99 L101L56-L71 HydrophobicContact CD1-CD1 4.46Å; L71-L73 HydrophobicContact CD1-CD2 4.16Å; L71-L73 HydrophobicContact CD2-CD1 4.17Å; L71-L73 HydrophobicContact CD2-CD2 4.03Å; L71-L73 HydrophobicContact CD2-CG 4.21Å; L71-L73 HydrophobicContact CG-CD2 3.91Å; L71-L73 HydrophobicContact CG-CG 4.09Å; L71-A79 VanDerWaalsContact O-CA 3.3Å; L71-A79 WeakPolarHBondContact O-CA 3.32Å; L71-A79 WeakPolarHBondContact O-CB 3.32Å; L71-P80 HydrophobicContact CB-CG 4.38Å; L71-P80 PolarHBondContact N-O 3.41Å; L71-P80 VanDerWaalsContact N-O 3.14Å; L71-P80 WeakPolarHBondContact O-CD 3.5Å; L71-L92 HydrophobicContact CD1-CD1 4.13Å; L71-L92 HydrophobicContact CD1-CD2 4.11Å; L71-L92 HydrophobicContact CD2-CD2 4.26Å; L71-C99 HydrophobicContact CD2-CB 4.24Å; L71-L101 HydrophobicContact CB-CD1 4.39Å; L71-L101 HydrophobicContact CD2-CB 4.18Å; L71-L101 HydrophobicContact CD2-CD1 4.06Å
72K65.5Low66.6Low135 Ų13567.9 Ų67.959%0.58737%0.374SS*.EExtended strand (participates in β ladder)trans-91.9108.8173-171177-178.8179.30109.9G55 A79G55-K72 PolarHBondContact N-O 3.07Å; G55-K72 WeakPolarHBondContact O-CA 3.14Å; G55-K72 PolarHBondContact O-N 2.94Å; K72-A79 HydrophobicContact CB-CB 3.95Å; K72-A79 HydrophobicContact CG-CB 4.46Å
73L66Low67.6Low9 Ų969.7 Ų69.75%0.04739%0.386CS..EExtended strand (participates in β ladder)trans-93.7137.4171.1-55.6170.2000108.5C54 L71 Y75 L76 C99C54-L73 HydrophobicContact CB-CD2 4Å; C54-L73 VanDerWaalsContact SG-CD2 3.54Å; L71-L73 HydrophobicContact CD1-CD2 4.16Å; L71-L73 HydrophobicContact CD2-CD1 4.17Å; L71-L73 HydrophobicContact CD2-CD2 4.03Å; L71-L73 HydrophobicContact CD2-CG 4.21Å; L71-L73 HydrophobicContact CG-CD2 3.91Å; L71-L73 HydrophobicContact CG-CG 4.09Å; L73-Y75 HydrophobicContact CB-CD1 3.99Å; L73-Y75 HydrophobicContact CB-CD2 4.27Å; L73-Y75 HydrophobicContact CB-CE1 3.68Å; L73-Y75 HydrophobicContact CB-CE2 3.97Å; L73-Y75 HydrophobicContact CB-CG 4.29Å; L73-Y75 HydrophobicContact CD1-CE1 4.22Å; L73-Y75 HydrophobicContact CD1-CE2 3.76Å; L73-Y75 VanDerWaalsContact CD1-CZ 3.43Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.17Å; L73-Y75 HydrophobicContact CD2-CE1 4.43Å; L73-Y75 HydrophobicContact CG-CE1 4.29Å; L73-Y75 HydrophobicContact CG-CE2 4.45Å; L73-Y75 PolarHBondContact O-N 2.81Å; L73-L76 HydrophobicContact CB-CB 4.22Å; L73-L76 HydrophobicContact CB-CD1 3.98Å; L73-L76 HydrophobicContact CB-CG 3.97Å; L73-L76 HydrophobicContact CD1-CD1 3.47Å; L73-L76 VanDerWaalsContact CD1-CD1 3.47Å; L73-L76 HydrophobicContact CD1-CG 4.18Å; L73-L76 HydrophobicContact CG-CD1 4.01Å; L73-L76 PolarHBondContact O-N 2.71Å; L73-C99 HydrophobicContact CD2-CB 3.31Å
74S63.9Low68.4Low73 Ų7360.8 Ų60.851%0.5135%0.345SS..THydrogen-bonded Turntrans-57.3-25.6-177.967.80000113.3N53N53-S74 VanDerWaalsContact CB-OG 3.32Å; N53-S74 WeakPolarHBondContact CB-OG 3.29Å; N53-S74 VanDerWaalsContact O-CB 3.32Å; N53-S74 WeakPolarHBondContact O-CB 3.33Å; N53-S74 PolarHBondContact O-N 3.42Å
75Y64.5Low68.6Low112 Ų11254.4 Ų54.444%0.43932%0.323SS..THydrogen-bonded Turntrans-90.8-6.9178.956.5-95.9000114.1L73 H98L73-Y75 HydrophobicContact CB-CD1 3.99Å; L73-Y75 HydrophobicContact CB-CD2 4.27Å; L73-Y75 HydrophobicContact CB-CE1 3.68Å; L73-Y75 HydrophobicContact CB-CE2 3.97Å; L73-Y75 HydrophobicContact CB-CG 4.29Å; L73-Y75 HydrophobicContact CD1-CE1 4.22Å; L73-Y75 HydrophobicContact CD1-CE2 3.76Å; L73-Y75 VanDerWaalsContact CD1-CZ 3.43Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.17Å; L73-Y75 HydrophobicContact CD2-CE1 4.43Å; L73-Y75 HydrophobicContact CG-CE1 4.29Å; L73-Y75 HydrophobicContact CG-CE2 4.45Å; L73-Y75 PolarHBondContact O-N 2.81Å; Y75-H98 AromaticContact CZ-ND1 3.94Å
76L61.1Low68.6Low69 Ų6954.8 Ų54.836%0.36133%0.327SS..  trans-101130.3174.7-66.3179.2000109.9L73 S78L73-L76 HydrophobicContact CB-CB 4.22Å; L73-L76 HydrophobicContact CB-CD1 3.98Å; L73-L76 HydrophobicContact CB-CG 3.97Å; L73-L76 HydrophobicContact CD1-CD1 3.47Å; L73-L76 VanDerWaalsContact CD1-CD1 3.47Å; L73-L76 HydrophobicContact CD1-CG 4.18Å; L73-L76 HydrophobicContact CG-CD1 4.01Å; L73-L76 PolarHBondContact O-N 2.71Å; L76-S78 VanDerWaalsContact C-N 3.26Å; L76-S78 PolarHBondContact O-N 2.75Å
77S65.6Low68.7Low133 Ų13361.9 Ų61.993%0.9336%0.355SS*.SBendtrans-66.7-29.7175.552.10000112.5
78S69.3Low68.8Low84 Ų8462.5 Ų62.559%0.58736%0.36SS*.SBendtrans-127.2135.7178.657.20000111.2L76 P80L76-S78 VanDerWaalsContact C-N 3.26Å; L76-S78 PolarHBondContact O-N 2.75Å; S78-P80 WeakPolarHBondContact O-CD 3.3Å
79A68.5Low68.7Low35 Ų3562.2 Ų62.229%0.28936%0.358SS..PPolyproline II helixtrans-78.3122.3172.600000109.9L71 K72 N81L71-A79 VanDerWaalsContact O-CA 3.3Å; L71-A79 WeakPolarHBondContact O-CA 3.32Å; L71-A79 WeakPolarHBondContact O-CB 3.32Å; K72-A79 HydrophobicContact CB-CB 3.95Å; K72-A79 HydrophobicContact CG-CB 4.46Å; A79-N81 PolarHBondContact O-N 3.14Å
80P69.5Low68.7Low58 Ų5862.1 Ų62.138%0.37736%0.357SS..PPolyproline II helixtrans-58.3133.1166.723.3-35.9000110.3S70 L71 S78S70-P80 VanDerWaalsContact CA-O 3.31Å; S70-P80 WeakPolarHBondContact CA-O 3.33Å; L71-P80 HydrophobicContact CB-CG 4.38Å; L71-P80 PolarHBondContact N-O 3.41Å; L71-P80 VanDerWaalsContact N-O 3.14Å; L71-P80 WeakPolarHBondContact O-CD 3.5Å; S78-P80 WeakPolarHBondContact O-CD 3.3Å
81N69.7Low68.6Low112 Ų11262.8 Ų62.860%0.59936%0.359SS*.EExtended strand (participates in β ladder)trans-96.5125.7169.6-69.6-24.6000108.6T68 S70 A79T68-N81 HydrophobicContact CG2-CB 4.29Å; S70-N81 VanDerWaalsContact CB-OD1 3.27Å; S70-N81 WeakPolarHBondContact CB-OD1 3.22Å; S70-N81 PolarHBondContact OG-OD1 2.85Å; A79-N81 PolarHBondContact O-N 3.14Å
82L73.3Confident68.7Low55 Ų5562.5 Ų62.529%0.28836%0.358SS..EExtended strand (participates in β ladder)trans-122.2135.2178.2-63.4168.5000108.6T68 A69 F84 L101T68-L82 CarbonylContact C-O 3.48Å; T68-L82 WeakPolarHBondContact CA-O 3.34Å; A69-L82 PolarHBondContact N-O 2.58Å; A69-L82 PolarHBondContact O-N 2.9Å; L82-F84 HydrophobicContact CB-CD2 4.36Å; L82-F84 HydrophobicContact CB-CE2 3.42Å; L82-F84 VanDerWaalsContact CB-CE2 3.42Å; L82-F84 HydrophobicContact CB-CZ 3.57Å; L82-F84 HydrophobicContact CD1-CE2 4.49Å; L82-F84 HydrophobicContact CD1-CZ 4.02Å; L82-F84 HydrophobicContact CG-CZ 4.45Å; L82-L101 HydrophobicContact CD1-CD1 3.35Å; L82-L101 HydrophobicContact CD1-CD2 3.25Å; L82-L101 HydrophobicContact CD1-CG 3.93Å
83S74.2Confident68.5Low85 Ų8559 Ų5959%0.59435%0.345SS*.EExtended strand (participates in β ladder)trans-105.8129.9178-168.30000109.3
84F74.8Confident68.4Low2 Ų259.9 Ų59.91%0.00935%0.349CS..EExtended strand (participates in β ladder)trans-120.7134.6-175-63.9-81.8000109.5S66 F67 A69 L82 L90 Q103S66-F84 CarbonylContact C-O 3.5Å; S66-F84 WeakPolarHBondContact CA-O 3.47Å; S66-F84 WeakPolarHBondContact CB-O 3.44Å; F67-F84 HydrophobicContact CD1-CB 3.81Å; F67-F84 HydrophobicContact CD2-CB 4.31Å; F67-F84 HydrophobicContact CD2-CD2 4.06Å; F67-F84 HydrophobicContact CE1-CB 3.36Å; F67-F84 HydrophobicContact CE1-CD2 4.5Å; F67-F84 HydrophobicContact CE1-CG 4.13Å; F67-F84 HydrophobicContact CE2-CB 3.91Å; F67-F84 AromaticContact CE2-CD2 3.48Å; F67-F84 HydrophobicContact CE2-CD2 3.48Å; F67-F84 VanDerWaalsContact CE2-CD2 3.48Å; F67-F84 HydrophobicContact CE2-CE2 4.29Å; F67-F84 AromaticContact CE2-CG 3.91Å; F67-F84 HydrophobicContact CE2-CG 3.91Å; F67-F84 HydrophobicContact CG-CB 4.28Å; F67-F84 HydrophobicContact CZ-CB 3.42Å; F67-F84 VanDerWaalsContact CZ-CB 3.42Å; F67-F84 AromaticContact CZ-CD2 3.75Å; F67-F84 HydrophobicContact CZ-CD2 3.75Å; F67-F84 AromaticContact CZ-CG 3.65Å; F67-F84 HydrophobicContact CZ-CG 3.65Å; F67-F84 PolarHBondContact N-O 2.74Å; F67-F84 PolarHBondContact O-N 3Å; A69-F84 HydrophobicContact CB-CD2 4.31Å; A69-F84 HydrophobicContact CB-CE2 3.95Å; L82-F84 HydrophobicContact CB-CD2 4.36Å; L82-F84 HydrophobicContact CB-CE2 3.42Å; L82-F84 VanDerWaalsContact CB-CE2 3.42Å; L82-F84 HydrophobicContact CB-CZ 3.57Å; L82-F84 HydrophobicContact CD1-CE2 4.49Å; L82-F84 HydrophobicContact CD1-CZ 4.02Å; L82-F84 HydrophobicContact CG-CZ 4.45Å; F84-L90 HydrophobicContact CE1-CB 4.25Å; F84-L90 HydrophobicContact CE1-CD1 4.12Å; F84-L90 HydrophobicContact CE2-CD1 4.35Å; F84-L90 HydrophobicContact CE2-CD2 4.02Å; F84-L90 HydrophobicContact CZ-CB 4.26Å; F84-L90 HydrophobicContact CZ-CD1 3.67Å; F84-L90 HydrophobicContact CZ-CD2 4.17Å; F84-L90 HydrophobicContact CZ-CG 4.25Å; F84-Q103 HydrophobicContact CD1-CG 4.4Å; F84-Q103 HydrophobicContact CE1-CB 4.36Å; F84-Q103 HydrophobicContact CE1-CG 4.03Å
85G70.1Confident68.1Low30 Ų3060.6 Ų60.631%0.30934%0.344SS..  trans-80174.4173.400000112.1K87 S88G85-K87 PolarHBondContact O-N 2.9Å; G85-S88 PolarHBondContact N-OG 2.86Å; G85-S88 PolarHBondContact O-N 2.95Å
86N69.6Low67.5Low75 Ų7560.6 Ų60.640%0.40135%0.347SS..THydrogen-bonded Turntrans-61.7-11.4-179.663.8-9.6000115.9F17 H65F17-N86 HydrophobicContact CE2-CB 4.18Å; H65-N86 HydrophobicContact CB-CB 3.67Å; H65-N86 VanDerWaalsContact O-CA 3.26Å; H65-N86 WeakPolarHBondContact O-CA 3.47Å; H65-N86 VanDerWaalsContact O-CB 3.25Å; H65-N86 WeakPolarHBondContact O-CB 3.11Å; H65-N86 PolarHBondContact O-N 2.87Å; H65-N86 VanDerWaalsContact O-N 3.1Å
87K69.9Low67.1Low171 Ų17165.4 Ų65.474%0.74337%0.366SS*.THydrogen-bonded Turntrans-106.9-10.2177-66.1-179.1-176.3-177.40113.5G85 T89G85-K87 PolarHBondContact O-N 2.9Å; K87-T89 PolarHBondContact O-N 3.02Å
88S70.8Confident66.4Low13 Ų1364.2 Ų64.29%0.09135%0.345CS..PPolyproline II helixtrans-83.7120.1-172.5-55.40000110.5P10 G85P10-S88 WeakPolarHBondContact CD-O 3.4Å; P10-S88 WeakPolarHBondContact CG-O 3.43Å; G85-S88 PolarHBondContact N-OG 2.86Å; G85-S88 PolarHBondContact O-N 2.95Å
89T70Confident65.4Low31 Ų3160.7 Ų60.719%0.1932%0.32CS..EExtended strand (participates in β ladder)trans-91.2125.6171.3-63.80000109V7 K87 I91 I104V7-T89 HydrophobicContact CG1-CG2 3.55Å; K87-T89 PolarHBondContact O-N 3.02Å; T89-I91 HydrophobicContact CG2-CG1 4.13Å; T89-I104 PolarHBondContact N-O 2.86Å; T89-I104 PolarHBondContact O-N 3.18Å
90L70.6Confident64.6Low0 Ų062.2 Ų62.20%033%0.326CS..EExtended strand (participates in β ladder)trans-90.6126.6173.4170.560.1000108.9V7 I8 L56 F67 A69 F84 L92 L101V7-L90 CarbonylContact C-O 3.48Å; V7-L90 WeakPolarHBondContact CA-O 3.41Å; I8-L90 HydrophobicContact CB-CB 4.26Å; I8-L90 HydrophobicContact CD1-CD2 4.11Å; I8-L90 PolarHBondContact N-O 3.45Å; I8-L90 PolarHBondContact O-N 2.78Å; L56-L90 HydrophobicContact CD1-CD2 4.39Å; F67-L90 HydrophobicContact CZ-CB 4.37Å; A69-L90 HydrophobicContact CB-CD2 3.98Å; F84-L90 HydrophobicContact CE1-CB 4.25Å; F84-L90 HydrophobicContact CE1-CD1 4.12Å; F84-L90 HydrophobicContact CE2-CD1 4.35Å; F84-L90 HydrophobicContact CE2-CD2 4.02Å; F84-L90 HydrophobicContact CZ-CB 4.26Å; F84-L90 HydrophobicContact CZ-CD1 3.67Å; F84-L90 HydrophobicContact CZ-CD2 4.17Å; F84-L90 HydrophobicContact CZ-CG 4.25Å; L90-L92 HydrophobicContact CD1-CD2 4.13Å; L90-L92 HydrophobicContact CG-CD2 4.48Å; L90-L101 HydrophobicContact CD1-CD1 3.63Å; L90-L101 HydrophobicContact CD1-CD2 4.13Å; L90-L101 HydrophobicContact CD1-CG 3.66Å
91I67.2Low63.7Low30 Ų3062 Ų6215%0.15432%0.322CS..EExtended strand (participates in β ladder)trans-117.4121.7173-55.5-177000108.5V7 T89 L93 D102 I104V7-I91 HydrophobicContact CG1-CG1 4.32Å; V7-I91 HydrophobicContact CG2-CG1 4.27Å; V7-I91 HydrophobicContact CG2-CG2 4.34Å; T89-I91 HydrophobicContact CG2-CG1 4.13Å; I91-L93 HydrophobicContact CG2-CD2 3.87Å; I91-L93 HydrophobicContact CG2-CG 4.17Å; I91-D102 PolarHBondContact N-O 2.93Å; I91-D102 PolarHBondContact O-N 3.44Å; I91-D102 VanDerWaalsContact O-O 3.08Å; I91-I104 HydrophobicContact CD1-CD1 3.46Å; I91-I104 VanDerWaalsContact CD1-CD1 3.46Å; I91-I104 HydrophobicContact CD1-CG1 3.99Å
92L68.6Low62.8Low1 Ų160.7 Ų60.71%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-101.4120.1167.8-59.7-179.5000108.5C5 L6 L56 L71 L90 F94 L101C5-L92 CarbonylContact C-O 3.55Å; C5-L92 WeakPolarHBondContact CA-O 3.33Å; C5-L92 WeakPolarHBondContact CB-O 3.45Å; L6-L92 HydrophobicContact CB-CB 4.24Å; L6-L92 HydrophobicContact CD2-CD1 4.18Å; L6-L92 PolarHBondContact N-O 2.89Å; L6-L92 PolarHBondContact O-N 3.01Å; L56-L92 HydrophobicContact CB-CD1 4.12Å; L56-L92 HydrophobicContact CD1-CD1 4.04Å; L56-L92 HydrophobicContact CD2-CD1 3.88Å; L56-L92 HydrophobicContact CG-CD1 4.22Å; L71-L92 HydrophobicContact CD1-CD1 4.13Å; L71-L92 HydrophobicContact CD1-CD2 4.11Å; L71-L92 HydrophobicContact CD2-CD2 4.26Å; L90-L92 HydrophobicContact CD1-CD2 4.13Å; L90-L92 HydrophobicContact CG-CD2 4.48Å; L92-F94 HydrophobicContact CB-CE2 4.09Å; L92-F94 HydrophobicContact CB-CZ 4.06Å; L92-F94 HydrophobicContact CD1-CZ 4.31Å; L92-L101 HydrophobicContact CD2-CB 4.2Å; L92-L101 HydrophobicContact CD2-CD1 3.68Å; L92-L101 HydrophobicContact CD2-CG 4.02Å
93L62.1Low61.6Low61 Ų6161.9 Ų61.932%0.31932%0.319SS..EExtended strand (participates in β ladder)trans-99130.9171.1-59175.5000108.4C5 I91 C99 V100C5-L93 HydrophobicContact CB-CD2 3.75Å; I91-L93 HydrophobicContact CG2-CD2 3.87Å; I91-L93 HydrophobicContact CG2-CG 4.17Å; L93-C99 CarbonylContact O-C 3.56Å; L93-C99 WeakPolarHBondContact O-CA 3.45Å; L93-V100 HydrophobicContact CB-CB 4.35Å; L93-V100 PolarHBondContact N-O 3.05Å; L93-V100 PolarHBondContact O-N 3.4Å
94F63.5Low60.4Low28 Ų2862.2 Ų62.212%0.12331%0.313CS..EExtended strand (participates in β ladder)trans-102.595.9174.8-60.2-82.8000108.7P4 L6 L51 C54 L92 C99P4-F94 HydrophobicContact CB-CB 4.25Å; P4-F94 HydrophobicContact CB-CD2 4.31Å; P4-F94 WeakPolarHBondContact O-CD2 3.05Å; P4-F94 PolarHBondContact O-N 3.02Å; L6-F94 HydrophobicContact CB-CE2 3.95Å; L6-F94 HydrophobicContact CB-CZ 4.49Å; L51-F94 HydrophobicContact CB-CE1 3.92Å; L51-F94 HydrophobicContact CB-CZ 4.02Å; L51-F94 HydrophobicContact CD1-CD2 4.32Å; L51-F94 HydrophobicContact CD1-CE1 4.04Å; L51-F94 HydrophobicContact CD1-CE2 3.42Å; L51-F94 VanDerWaalsContact CD1-CE2 3.42Å; L51-F94 HydrophobicContact CD1-CZ 3.26Å; L51-F94 HydrophobicContact CG-CZ 4.25Å; C54-F94 HydrophobicContact CB-CD1 4.33Å; C54-F94 HydrophobicContact CB-CE1 3.73Å; L92-F94 HydrophobicContact CB-CE2 4.09Å; L92-F94 HydrophobicContact CB-CZ 4.06Å; L92-F94 HydrophobicContact CD1-CZ 4.31Å; F94-C99 HydrophobicContact CD1-CB 4.49Å; F94-C99 HydrophobicContact CE1-CB 4.44Å
95E57Low58.9Low88 Ų8870.8 Ų70.841%0.41136%0.358SS..EExtended strand (participates in β ladder)trans-101.5118.1175.4176.9166.5-15600110W3 F97 H98W3-E95 HydrophobicContact CD2-CB 4.04Å; W3-E95 HydrophobicContact CD2-CG 4.07Å; W3-E95 HydrophobicContact CE3-CB 4.31Å; W3-E95 HydrophobicContact CE3-CG 4.36Å; W3-E95 HydrophobicContact CG-CB 4.42Å; W3-E95 HydrophobicContact CH2-CG 4.17Å; W3-E95 HydrophobicContact CZ2-CG 3.74Å; W3-E95 HydrophobicContact CZ3-CG 4.4Å; E95-F97 VanDerWaalsContact C-N 3.29Å; E95-F97 PolarHBondContact O-N 3.38Å; E95-H98 PolarHBondContact N-O 2.73Å; E95-H98 WeakPolarHBondContact O-CA 3.06Å; E95-H98 WeakPolarHBondContact O-CB 3.44Å; E95-H98 PolarHBondContact O-N 3Å; E95-H98 VanDerWaalsContact O-O 3.09Å
96H53.2Low58.3Low111 Ų11172.9 Ų72.951%0.51436%0.36SS..THydrogen-bonded Turntrans3950.8171.9-64.1114000114.7W3 H98W3-H96 AromaticContact CH2-CD2 3.72Å; W3-H96 AromaticContact CH2-CE1 3.05Å; W3-H96 WeakPolarHBondContact CH2-CE1 3.43Å; W3-H96 AromaticContact CH2-CG 3.51Å; W3-H96 AromaticContact CH2-ND1 3.06Å; W3-H96 WeakPolarHBondContact CH2-ND1 3.39Å; W3-H96 AromaticContact CH2-NE2 3.44Å; W3-H96 WeakPolarHBondContact CH2-NE2 3.28Å; W3-H96 AromaticContact CZ2-CE1 3.45Å; W3-H96 VanDerWaalsContact CZ2-CE1 3.45Å; W3-H96 WeakPolarHBondContact CZ2-CE1 3.35Å; W3-H96 AromaticContact CZ2-ND1 3.45Å; W3-H96 WeakPolarHBondContact CZ2-ND1 3.46Å; W3-H96 AromaticContact CZ3-CG 3.9Å; W3-H96 AromaticContact CZ3-ND1 3.87Å; H96-H98 VanDerWaalsContact C-N 3.31Å; H96-H98 PolarHBondContact O-N 2.87Å
97F51.5Low57.7Low170 Ų17072.7 Ų72.775%0.74636%0.358SS*.THydrogen-bonded Turntrans75.2-1.6-177.1-50.8-87.3000117.6E95E95-F97 VanDerWaalsContact C-N 3.29Å; E95-F97 PolarHBondContact O-N 3.38Å
98H50.4Low57Low108 Ų10867.3 Ų67.350%0.534%0.337SS..EExtended strand (participates in β ladder)trans-99.9130170.6-65.4-77.7000110.3Y75 E95 H96Y75-H98 AromaticContact CZ-ND1 3.94Å; E95-H98 PolarHBondContact N-O 2.73Å; E95-H98 WeakPolarHBondContact O-CA 3.06Å; E95-H98 WeakPolarHBondContact O-CB 3.44Å; E95-H98 PolarHBondContact O-N 3Å; E95-H98 VanDerWaalsContact O-O 3.09Å; H96-H98 VanDerWaalsContact C-N 3.31Å; H96-H98 PolarHBondContact O-N 2.87Å
99C49Very low56.2Low10 Ų1070.5 Ų70.57%0.06835%0.351CS..EExtended strand (participates in β ladder)trans-90.1121.3170.2-162.10000108.4C54 L71 L73 L93 F94C54-C99 HydrophobicContact CB-CB 4.33Å; L71-C99 HydrophobicContact CD2-CB 4.24Å; L73-C99 HydrophobicContact CD2-CB 3.31Å; L93-C99 CarbonylContact O-C 3.56Å; L93-C99 WeakPolarHBondContact O-CA 3.45Å; F94-C99 HydrophobicContact CD1-CB 4.49Å; F94-C99 HydrophobicContact CE1-CB 4.44Å
100V51.7Low55.3Low67 Ų6772.9 Ų72.941%0.40636%0.361SS..EExtended strand (participates in β ladder)trans-99123.2168.3-178.20000106.9L93L93-V100 HydrophobicContact CB-CB 4.35Å; L93-V100 PolarHBondContact N-O 3.05Å; L93-V100 PolarHBondContact O-N 3.4Å
101L51.7Low54.3Low55 Ų5577.8 Ų77.829%0.28839%0.385SS..EExtended strand (participates in β ladder)trans-92.5120.1173.9-172.5137.3000108.2L71 L82 L90 L92L71-L101 HydrophobicContact CB-CD1 4.39Å; L71-L101 HydrophobicContact CD2-CB 4.18Å; L71-L101 HydrophobicContact CD2-CD1 4.06Å; L82-L101 HydrophobicContact CD1-CD1 3.35Å; L82-L101 HydrophobicContact CD1-CD2 3.25Å; L82-L101 HydrophobicContact CD1-CG 3.93Å; L90-L101 HydrophobicContact CD1-CD1 3.63Å; L90-L101 HydrophobicContact CD1-CD2 4.13Å; L90-L101 HydrophobicContact CD1-CG 3.66Å; L92-L101 HydrophobicContact CD2-CB 4.2Å; L92-L101 HydrophobicContact CD2-CD1 3.68Å; L92-L101 HydrophobicContact CD2-CG 4.02Å
102D49.1Very low53.4Low83 Ų8381.2 Ų81.244%0.44440%0.402SS..EExtended strand (participates in β ladder)trans-119.4136.4173.3-16110.4000109.5I91I91-D102 PolarHBondContact N-O 2.93Å; I91-D102 PolarHBondContact O-N 3.44Å; I91-D102 VanDerWaalsContact O-O 3.08Å
103Q47.9Very low52.3Low80 Ų8087.4 Ų87.437%0.37443%0.432SS..EExtended strand (participates in β ladder)trans-111.8117.6177.2179179.2-0.100107.9F84F84-Q103 HydrophobicContact CD1-CG 4.4Å; F84-Q103 HydrophobicContact CE1-CB 4.36Å; F84-Q103 HydrophobicContact CE1-CG 4.03Å
104I50.8Low51.4Low92 Ų9289.6 Ų89.647%0.47244%0.442SS..EExtended strand (participates in β ladder)trans-94.4118.1167.3-54.8-174.8000107.3T89 I91T89-I104 PolarHBondContact N-O 2.86Å; T89-I104 PolarHBondContact O-N 3.18Å; I91-I104 HydrophobicContact CD1-CD1 3.46Å; I91-I104 VanDerWaalsContact CD1-CD1 3.46Å; I91-I104 HydrophobicContact CD1-CG1 3.99Å
105L41.3Very low50.3Low183 Ų18395.2 Ų95.296%0.95847%0.471SS*.  trans-75.80174.8-78.1168.7000112.1

Retrieved 105 of 105 residues in 195.5 ms (Link to these results)

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