A0A096NMV7_PAPAN Loading...

Cellular retinoic acid binding protein 1

AlphaFold DB (P29762), UniProt , Accession A0A096NMV7, Species PAPAN (Papio anubis, Olive baboon), Gene CRABP1, Length 137 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M72.5Confident93.3Very high146 Ų14656.7 Ų56.772%0.71929%0.29SS*.  0120.60-141.7153.381.700108.1
2P87.1Confident93.5Very high14 Ų1454.9 Ų54.99%0.09129%0.286CS..  trans-62147.8-178.430.8-41.4000110.8F4 Q46 W88 E91 L114P2-F4 HydrophobicContact CB-CD2 4.13Å; P2-F4 HydrophobicContact CB-CE2 3.71Å; P2-F4 HydrophobicContact CG-CD2 4.18Å; P2-F4 HydrophobicContact CG-CE2 3.59Å; P2-Q46 PolarHBondContact O-NE2 2.89Å; P2-Q46 PolarHBondContact O-OE1 2.91Å; P2-W88 HydrophobicContact CG-CH2 3.58Å; P2-W88 HydrophobicContact CG-CZ2 4.49Å; P2-W88 HydrophobicContact CG-CZ3 3.7Å; P2-E91 WeakPolarHBondContact CD-O 3.38Å; P2-E91 WeakPolarHBondContact CG-O 3.3Å; P2-L114 HydrophobicContact CB-CD1 3.98Å
3N92.9Very high93.7Very high101 Ų10154.3 Ų54.354%0.5429%0.289SS..  trans-11297.2175.8-175.89.9000110.6A5N3-A5 VanDerWaalsContact C-N 3.28Å; N3-A5 WeakPolarHBondContact OD1-CB 3.24Å; N3-A5 PolarHBondContact OD1-N 2.74Å
4F97Very high94Very high1 Ų159.4 Ų59.40%0.00431%0.31CS..  trans-78.8-14.3175.1-70.5-101.7000112.5P2 G6 W8 I44 F51 W88 N92 I94 R112 L114 L119P2-F4 HydrophobicContact CB-CD2 4.13Å; P2-F4 HydrophobicContact CB-CE2 3.71Å; P2-F4 HydrophobicContact CG-CD2 4.18Å; P2-F4 HydrophobicContact CG-CE2 3.59Å; F4-G6 PolarHBondContact O-N 3.17Å; F4-W8 PolarHBondContact O-NE1 3.08Å; F4-I44 HydrophobicContact CB-CD1 4.37Å; F4-I44 HydrophobicContact CB-CG2 3.95Å; F4-I44 WeakPolarHBondContact O-CB 3.48Å; F4-F51 HydrophobicContact CB-CE1 4Å; F4-F51 HydrophobicContact CD2-CE1 4.01Å; F4-F51 HydrophobicContact CD2-CZ 4.22Å; F4-F51 HydrophobicContact CG-CE1 4.1Å; F4-W88 HydrophobicContact CD2-CH2 4.24Å; F4-W88 AromaticContact CE2-CH2 3.62Å; F4-W88 HydrophobicContact CE2-CH2 3.62Å; F4-W88 AromaticContact CE2-CZ3 3.68Å; F4-W88 HydrophobicContact CE2-CZ3 3.68Å; F4-W88 HydrophobicContact CZ-CH2 4.46Å; F4-W88 HydrophobicContact CZ-CZ3 4.15Å; F4-N92 WeakPolarHBondContact CZ-O 3.35Å; F4-I94 HydrophobicContact CE2-CD1 4.45Å; F4-I94 HydrophobicContact CZ-CD1 4.49Å; F4-I94 HydrophobicContact CZ-CG1 4.43Å; F4-R112 HydrophobicContact CE1-CB 3.99Å; F4-L114 HydrophobicContact CD1-CD1 4.08Å; F4-L114 HydrophobicContact CD1-CD2 4.02Å; F4-L114 HydrophobicContact CD1-CG 3.75Å; F4-L114 HydrophobicContact CD2-CD1 3.88Å; F4-L114 HydrophobicContact CD2-CG 4.34Å; F4-L114 HydrophobicContact CE1-CD1 4.22Å; F4-L114 HydrophobicContact CE1-CD2 4.22Å; F4-L114 HydrophobicContact CE1-CG 3.62Å; F4-L114 HydrophobicContact CE2-CD1 4Å; F4-L114 HydrophobicContact CE2-CG 4.2Å; F4-L114 HydrophobicContact CG-CD1 3.92Å; F4-L114 HydrophobicContact CG-CG 4.13Å; F4-L114 HydrophobicContact CZ-CD1 4.18Å; F4-L114 HydrophobicContact CZ-CG 3.85Å; F4-L119 HydrophobicContact CD1-CD1 3.8Å; F4-L119 HydrophobicContact CE1-CD1 3.89Å
5A97.2Very high94.2Very high24 Ų2460.7 Ų60.720%0.19832%0.318CS..  trans-59.7140.9-173.500000111.2N3 I44 Q46 R136N3-A5 VanDerWaalsContact C-N 3.28Å; N3-A5 WeakPolarHBondContact OD1-CB 3.24Å; N3-A5 PolarHBondContact OD1-N 2.74Å; A5-I44 CarbonylContact C-O 3.6Å; A5-I44 VanDerWaalsContact CA-O 3.25Å; A5-I44 WeakPolarHBondContact CA-O 3.28Å; A5-Q46 HydrophobicContact CB-CB 4.22Å; A5-R136 PolarHBondContact O-NH1 2.89Å
6G97.1Very high94.4Very high23 Ų2358.2 Ų58.224%0.23730%0.304CS..EExtended strand (participates in β ladder)trans136.3-174.9179.700000112.6F4 I44F4-G6 PolarHBondContact O-N 3.17Å; G6-I44 PolarHBondContact N-O 2.95Å; G6-I44 PolarHBondContact O-N 2.88Å
7T97.5Very high94.5Very high46 Ų4657.9 Ų57.928%0.28230%0.303SS..EExtended strand (participates in β ladder)trans-106.3135.5-180-54.70000109.4H41 V42 R136 E137T7-H41 WeakPolarHBondContact CG2-CE1 3.38Å; T7-H41 VanDerWaalsContact CG2-NE2 3.32Å; T7-H41 WeakPolarHBondContact CG2-NE2 3.34Å; T7-V42 CarbonylContact C-O 3.54Å; T7-V42 WeakPolarHBondContact CA-O 3.28Å; T7-R136 WeakPolarHBondContact O-CA 3.33Å; T7-E137 HydrophobicContact CG2-CB 4.03Å; T7-E137 WeakPolarHBondContact CG2-OE2 3.46Å; T7-E137 PolarHBondContact O-N 3Å
8W97.8Very high94.7Very high2 Ų258.8 Ų58.81%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-130.9128-169.1-62.995.2000110.1F4 V42 L114 L119 Y134 V135 R136F4-W8 PolarHBondContact O-NE1 3.08Å; W8-V42 HydrophobicContact CB-CB 4.14Å; W8-V42 PolarHBondContact N-O 2.68Å; W8-V42 PolarHBondContact O-N 3.01Å; W8-V42 VanDerWaalsContact O-N 3.07Å; W8-L114 HydrophobicContact CH2-CD2 3.69Å; W8-L114 HydrophobicContact CZ2-CD2 3.85Å; W8-L119 HydrophobicContact CB-CD2 4.39Å; W8-L119 HydrophobicContact CD2-CB 3.85Å; W8-L119 HydrophobicContact CD2-CD2 3.88Å; W8-L119 HydrophobicContact CE3-CB 3.55Å; W8-L119 HydrophobicContact CE3-CD2 4.41Å; W8-L119 HydrophobicContact CG-CD2 3.86Å; W8-L119 HydrophobicContact CH2-CB 3.93Å; W8-L119 HydrophobicContact CZ2-CB 4.2Å; W8-L119 HydrophobicContact CZ3-CB 3.6Å; W8-Y134 HydrophobicContact CB-CD1 4.15Å; W8-Y134 HydrophobicContact CB-CG 4.41Å; W8-V135 WeakPolarHBondContact CA-O 3.46Å; W8-R136 HydrophobicContact CE3-CB 4.32Å; W8-R136 VanDerWaalsContact CZ2-NH2 3.33Å; W8-R136 HydrophobicContact CZ3-CB 4.15Å
9K95.5Very high94.8Very high98 Ų9855.8 Ų55.843%0.42629%0.289SS..EExtended strand (participates in β ladder)trans-107.3136.2174.566.1-173173.1-159.80110.3R11 Y134 V135K9-R11 PolarHBondContact O-N 2.81Å; K9-Y134 CarbonylContact O-C 3.58Å; K9-Y134 VanDerWaalsContact O-CA 3.24Å; K9-Y134 WeakPolarHBondContact O-CA 3.29Å; K9-V135 HydrophobicContact CD-CG2 4.18Å; K9-V135 VanDerWaalsContact CE-CG2 3.47Å; K9-V135 HydrophobicContact CG-CG2 3.6Å; K9-V135 PolarHBondContact N-O 3.16Å; K9-V135 PolarHBondContact O-N 3.25Å
10M96Very high94.9Very high37 Ų3753.3 Ų53.318%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-70.7126.8179.8-166.1174.772.900110.6S12 S38 P40 R132 Y134M10-S12 WeakPolarHBondContact CG-O 3.34Å; M10-S38 WeakPolarHBondContact CE-O 3.11Å; M10-P40 HydrophobicContact CB-CG 3.88Å; M10-P40 HydrophobicContact CE-CG 4.21Å; M10-P40 HydrophobicContact CG-CG 4.37Å; M10-P40 HydrophobicContact SD-CG 3.67Å; M10-R132 HydrophobicContact SD-CB 4.37Å; M10-R132 VanDerWaalsContact SD-CD 3.58Å; M10-R132 HydrophobicContact SD-CG 3.94Å; M10-Y134 HydrophobicContact CB-CD1 3.9Å; M10-Y134 HydrophobicContact CB-CE1 3.66Å; M10-Y134 HydrophobicContact CG-CE1 4.16Å; M10-Y134 HydrophobicContact CG-CE2 4.45Å
11R95.4Very high95Very high132 Ų13255.8 Ų55.850%0.49829%0.285SS..EExtended strand (participates in β ladder)trans-90-46.7172.2-179.2-176.170.4-171.8-5.8111.4K9 E118 I133 V135K9-R11 PolarHBondContact O-N 2.81Å; R11-E118 IonicContact CZ-OE1 3.55Å; R11-E118 IonicContact CZ-OE2 3.58Å; R11-E118 IonicContact NH1-OE1 3.25Å; R11-E118 PolarHBondContact NH1-OE1 3.48Å; R11-E118 IonicContact NH1-OE2 3.82Å; R11-E118 VanDerWaalsContact NH2-CD 3.26Å; R11-E118 IonicContact NH2-OE1 3.38Å; R11-E118 PolarHBondContact NH2-OE1 3.33Å; R11-E118 IonicContact NH2-OE2 2.78Å; R11-E118 PolarHBondContact NH2-OE2 3.02Å; R11-I133 PolarHBondContact N-O 3.36Å; R11-I133 VanDerWaalsContact NH2-CG2 3.34Å; R11-V135 HydrophobicContact CB-CG1 4.42Å
12S96Very high96.1Very high35 Ų3550.7 Ų50.725%0.24527%0.266CS..EExtended strand (participates in β ladder)trans-144.1154.7-177.259.90000111.5M10 R132 I133M10-S12 WeakPolarHBondContact CG-O 3.34Å; S12-R132 VanDerWaalsContact O-CA 3.32Å; S12-R132 WeakPolarHBondContact O-CA 3.23Å; S12-I133 PolarHBondContact N-O 3.12Å; S12-I133 PolarHBondContact O-N 3.34Å; S12-I133 WeakPolarHBondContact OG-CB 3.39Å
13S96.9Very high96.5Very high47 Ų4750.8 Ų50.833%0.32927%0.266SS..EExtended strand (participates in β ladder)trans-142.8127.1174-173.90000108.5T131 R132S13-T131 WeakPolarHBondContact CA-O 3.26Å; S13-R132 WeakPolarHBondContact OG-CG 3.4Å; S13-R132 PolarHBondContact OG-NE 3.35Å; S13-R132 VanDerWaalsContact OG-NE 3.09Å
14E97.6Very high96.6Very high125 Ų12549.2 Ų49.258%0.58427%0.273SS*.EExtended strand (participates in β ladder)trans-120.6140-179.7-66.5-179.5-172.200109.6F16 C130 T131E14-F16 VanDerWaalsContact C-N 3.25Å; E14-F16 PolarHBondContact O-N 2.87Å; E14-F16 VanDerWaalsContact O-N 3.15Å; E14-C130 WeakPolarHBondContact O-CA 3.26Å; E14-C130 PolarHBondContact O-SG 3.39Å; E14-T131 PolarHBondContact N-O 3.17Å; E14-T131 PolarHBondContact O-N 2.82Å
15N97.2Very high96.5Very high80 Ų8050.4 Ų50.443%0.42828%0.281SS..SBendtrans62.518.5171.7-143.135.5000116.9D17 E18 L19 V129N15-D17 PolarHBondContact O-N 2.93Å; N15-E18 PolarHBondContact O-N 2.97Å; N15-E18 VanDerWaalsContact OD1-CB 3.26Å; N15-E18 WeakPolarHBondContact OD1-CB 3.12Å; N15-E18 VanDerWaalsContact OD1-CG 3.29Å; N15-E18 WeakPolarHBondContact OD1-CG 3.39Å; N15-L19 PolarHBondContact O-N 2.88Å; N15-V129 VanDerWaalsContact CB-O 3.32Å; N15-V129 WeakPolarHBondContact CB-O 3.44Å; N15-V129 PolarHBondContact ND2-O 3.15Å
16F96.7Very high96.4Very high20 Ų2053.4 Ų53.49%0.08829%0.293CS..Hα-helixtrans-66.5-36.2-178.6-171.7-120.2000113.4E14 L19 L20 V34 A37 V77 R132E14-F16 VanDerWaalsContact C-N 3.25Å; E14-F16 PolarHBondContact O-N 2.87Å; E14-F16 VanDerWaalsContact O-N 3.15Å; F16-L19 HydrophobicContact CD2-CD2 4.21Å; F16-L19 HydrophobicContact CE2-CD2 4.35Å; F16-L19 PolarHBondContact O-N 3.08Å; F16-L20 HydrophobicContact CD1-CD1 4.16Å; F16-L20 HydrophobicContact CE1-CD1 3.78Å; F16-L20 HydrophobicContact CE1-CG 4.38Å; F16-L20 HydrophobicContact CE2-CD2 4.48Å; F16-L20 HydrophobicContact CE2-CG 4.46Å; F16-L20 HydrophobicContact CZ-CD1 4.07Å; F16-L20 HydrophobicContact CZ-CD2 4.24Å; F16-L20 HydrophobicContact CZ-CG 4.25Å; F16-L20 WeakPolarHBondContact O-CG 3.41Å; F16-L20 PolarHBondContact O-N 2.98Å; F16-L20 VanDerWaalsContact O-N 3.14Å; F16-V34 HydrophobicContact CD1-CG2 3.95Å; F16-A37 HydrophobicContact CE1-CB 3.92Å; F16-A37 HydrophobicContact CZ-CB 4.3Å; F16-V77 HydrophobicContact CE2-CG1 3.74Å; F16-V77 HydrophobicContact CZ-CG1 4.09Å; F16-R132 VanDerWaalsContact CE2-NH2 3.35Å; F16-R132 VanDerWaalsContact CG-NH2 3.29Å; F16-R132 VanDerWaalsContact CZ-NH2 3.29Å
17D96.6Very high96.4Very high53 Ų5354.9 Ų54.928%0.28330%0.304SS..Hα-helixtrans-65-42.6175.3-169.478.8000111.7N15 L20 K21 R30 V34N15-D17 PolarHBondContact O-N 2.93Å; D17-L20 PolarHBondContact O-N 2.88Å; D17-K21 WeakPolarHBondContact O-CB 3.42Å; D17-K21 PolarHBondContact O-N 2.86Å; D17-R30 WeakPolarHBondContact O-CD 3.36Å; D17-R30 VanDerWaalsContact OD1-CB 3.23Å; D17-R30 WeakPolarHBondContact OD1-CB 3.38Å; D17-R30 IonicContact OD1-NE 3.17Å; D17-R30 PolarHBondContact OD1-NE 2.88Å; D17-R30 IonicContact OD2-CZ 3.66Å; D17-R30 IonicContact OD2-NE 2.59Å; D17-R30 PolarHBondContact OD2-NE 2.89Å; D17-R30 VanDerWaalsContact OD2-NE 3.16Å; D17-R30 IonicContact OD2-NH2 3.84Å; D17-V34 HydrophobicContact CB-CG2 4.15Å
18E97.5Very high96.2Very high74 Ų7459.9 Ų59.935%0.34633%0.325SS..Hα-helixtrans-67.6-36.6178.8-65.6-59.9137.100111.7N15 K21 A22 V128N15-E18 PolarHBondContact O-N 2.97Å; N15-E18 VanDerWaalsContact OD1-CB 3.26Å; N15-E18 WeakPolarHBondContact OD1-CB 3.12Å; N15-E18 VanDerWaalsContact OD1-CG 3.29Å; N15-E18 WeakPolarHBondContact OD1-CG 3.39Å; E18-K21 WeakPolarHBondContact O-CB 3.25Å; E18-K21 PolarHBondContact O-N 2.8Å; E18-K21 IonicContact OE1-NZ 2.85Å; E18-K21 WeakPolarHBondContact OE2-CD 3.3Å; E18-K21 IonicContact OE2-NZ 2.8Å; E18-K21 PolarHBondContact OE2-NZ 2.99Å; E18-A22 WeakPolarHBondContact O-CB 3.5Å; E18-A22 PolarHBondContact O-N 2.66Å; E18-V128 HydrophobicContact CB-CG1 4.25Å
19L97.6Very high96.1Very high2 Ų264.4 Ų64.41%0.0135%0.349CS..Hα-helixtrans-57.5-50.5171.1-179.181.3000111N15 F16 K21 A22 L23 V77 F123 A125 V128 C130N15-L19 PolarHBondContact O-N 2.88Å; F16-L19 HydrophobicContact CD2-CD2 4.21Å; F16-L19 HydrophobicContact CE2-CD2 4.35Å; F16-L19 PolarHBondContact O-N 3.08Å; L19-K21 PolarHBondContact O-N 3.24Å; L19-A22 WeakPolarHBondContact O-CB 3.31Å; L19-A22 PolarHBondContact O-N 3.42Å; L19-L23 HydrophobicContact CG-CD1 4.23Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 2.75Å; L19-V77 HydrophobicContact CD2-CG1 4.27Å; L19-V77 HydrophobicContact CD2-CG2 4.45Å; L19-F123 HydrophobicContact CD1-CB 4.2Å; L19-F123 HydrophobicContact CD2-CB 3.58Å; L19-F123 HydrophobicContact CD2-CG 4.2Å; L19-A125 HydrophobicContact CD1-CB 3.76Å; L19-V128 HydrophobicContact CB-CG1 4.4Å; L19-C130 HydrophobicContact CB-CB 3.9Å; L19-C130 HydrophobicContact CD1-CB 4.43Å; L19-C130 HydrophobicContact CD2-CB 3.94Å; L19-C130 HydrophobicContact CG-CB 4.3Å
20L96.2Very high96.1Very high5 Ų561.6 Ų61.63%0.02634%0.336CS..Hα-helixtrans-62.8-34.8178.9-67.6176.2000111.7F16 D17 L23 G24 V25 R30 A33 V34 V77F16-L20 HydrophobicContact CD1-CD1 4.16Å; F16-L20 HydrophobicContact CE1-CD1 3.78Å; F16-L20 HydrophobicContact CE1-CG 4.38Å; F16-L20 HydrophobicContact CE2-CD2 4.48Å; F16-L20 HydrophobicContact CE2-CG 4.46Å; F16-L20 HydrophobicContact CZ-CD1 4.07Å; F16-L20 HydrophobicContact CZ-CD2 4.24Å; F16-L20 HydrophobicContact CZ-CG 4.25Å; F16-L20 WeakPolarHBondContact O-CG 3.41Å; F16-L20 PolarHBondContact O-N 2.98Å; F16-L20 VanDerWaalsContact O-N 3.14Å; D17-L20 PolarHBondContact O-N 2.88Å; L20-L23 PolarHBondContact O-N 2.81Å; L20-G24 PolarHBondContact O-N 2.78Å; L20-V25 HydrophobicContact CB-CB 4.14Å; L20-V25 HydrophobicContact CB-CG2 4.24Å; L20-V25 HydrophobicContact CD2-CG2 4.27Å; L20-V25 WeakPolarHBondContact O-CB 3.4Å; L20-V25 WeakPolarHBondContact O-CG2 3.03Å; L20-V25 PolarHBondContact O-N 3.13Å; L20-R30 HydrophobicContact CB-CG 3.76Å; L20-R30 HydrophobicContact CD1-CB 4.33Å; L20-R30 HydrophobicContact CD1-CG 4.33Å; L20-A33 HydrophobicContact CD1-CB 3.66Å; L20-V34 HydrophobicContact CD1-CG2 4.46Å; L20-V77 HydrophobicContact CD2-CG1 3.86Å
21K96.4Very high96Very high106 Ų10667.4 Ų67.446%0.46136%0.36SS..Hα-helixtrans-66.9-42.2175.3178.3178.9156.8-153.90111.8D17 E18 L19 L23 G24D17-K21 WeakPolarHBondContact O-CB 3.42Å; D17-K21 PolarHBondContact O-N 2.86Å; E18-K21 WeakPolarHBondContact O-CB 3.25Å; E18-K21 PolarHBondContact O-N 2.8Å; E18-K21 IonicContact OE1-NZ 2.85Å; E18-K21 WeakPolarHBondContact OE2-CD 3.3Å; E18-K21 IonicContact OE2-NZ 2.8Å; E18-K21 PolarHBondContact OE2-NZ 2.99Å; L19-K21 PolarHBondContact O-N 3.24Å; K21-L23 PolarHBondContact O-N 2.88Å; K21-G24 PolarHBondContact O-N 2.96Å
22A96.1Very high95.9Very high39 Ų3965 Ų6532%0.32236%0.36SS..Hα-helixtrans-62-34.4174.300000111.9E18 L19 G24 A125 V128E18-A22 WeakPolarHBondContact O-CB 3.5Å; E18-A22 PolarHBondContact O-N 2.66Å; L19-A22 WeakPolarHBondContact O-CB 3.31Å; L19-A22 PolarHBondContact O-N 3.42Å; A22-G24 PolarHBondContact O-N 3.07Å; A22-A125 HydrophobicContact CB-CB 4.31Å; A22-V128 HydrophobicContact CB-CB 4.03Å; A22-V128 HydrophobicContact CB-CG1 4.42Å; A22-V128 HydrophobicContact CB-CG2 3.83Å
23L95.8Very high95.8Very high17 Ų1764.8 Ų64.89%0.08936%0.361CS..THydrogen-bonded Turntrans-75.22.2172.4-65169.8000113.9L19 L20 K21 V25 V77 D78 P106 T108 A125L19-L23 HydrophobicContact CG-CD1 4.23Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 2.75Å; L20-L23 PolarHBondContact O-N 2.81Å; K21-L23 PolarHBondContact O-N 2.88Å; L23-V25 HydrophobicContact CB-CG2 4.44Å; L23-V77 HydrophobicContact CD1-CB 4.23Å; L23-D78 HydrophobicContact CB-CB 4.13Å; L23-D78 HydrophobicContact CD1-CB 4.1Å; L23-P106 HydrophobicContact CD2-CG 4.43Å; L23-T108 HydrophobicContact CD2-CG2 3.63Å; L23-A125 HydrophobicContact CD2-CB 3.85Å; L23-A125 HydrophobicContact CG-CB 4.09Å
24G94.2Very high95.7Very high67 Ų6765.4 Ų65.469%0.69136%0.362SS*.THydrogen-bonded Turntrans8110.5177.300000115L20 K21 A22 N26L20-G24 PolarHBondContact O-N 2.78Å; K21-G24 PolarHBondContact O-N 2.96Å; A22-G24 PolarHBondContact O-N 3.07Å; G24-N26 PolarHBondContact O-N 2.81Å
25V94.9Very high95.5Very high27 Ų2762.5 Ų62.516%0.16436%0.359CS..  trans-69.7127.9178.5-175.50000110.1L20 L23 L29 R30 D78L20-V25 HydrophobicContact CB-CB 4.14Å; L20-V25 HydrophobicContact CB-CG2 4.24Å; L20-V25 HydrophobicContact CD2-CG2 4.27Å; L20-V25 WeakPolarHBondContact O-CB 3.4Å; L20-V25 WeakPolarHBondContact O-CG2 3.03Å; L20-V25 PolarHBondContact O-N 3.13Å; L23-V25 HydrophobicContact CB-CG2 4.44Å; V25-L29 HydrophobicContact CG1-CB 3.67Å; V25-R30 HydrophobicContact CB-CG 3.8Å; V25-R30 HydrophobicContact CG1-CG 3.64Å; V25-R30 WeakPolarHBondContact O-CD 3Å; V25-R30 WeakPolarHBondContact O-CG 3.3Å; V25-R30 PolarHBondContact O-NH1 3.33Å; V25-D78 HydrophobicContact CG2-CB 3.89Å
26N96.4Very high95.2Very high86 Ų8659 Ų5946%0.4634%0.341SS..  trans-66.7155-178.574.657.1000112.8G24 M28 L29 R30G24-N26 PolarHBondContact O-N 2.81Å; N26-M28 VanDerWaalsContact C-N 3.27Å; N26-M28 PolarHBondContact O-N 2.85Å; N26-M28 VanDerWaalsContact O-N 3.15Å; N26-M28 PolarHBondContact OD1-N 3.44Å; N26-L29 WeakPolarHBondContact ND2-CD1 3.35Å; N26-L29 PolarHBondContact O-N 3Å; N26-L29 VanDerWaalsContact O-N 3.13Å; N26-L29 PolarHBondContact OD1-N 3.18Å; N26-R30 WeakPolarHBondContact O-CG 3.5Å; N26-R30 PolarHBondContact O-N 2.92Å
27A95.5Very high95Very high55 Ų5558.5 Ų58.546%0.45534%0.341SS..Hα-helixtrans-59.2-32.5-170.700000114.6K31A27-K31 WeakPolarHBondContact O-CG 3.38Å; A27-K31 PolarHBondContact O-N 2.71Å
28M94.9Very high94.7Very high150 Ų15059 Ų5974%0.73935%0.349SS*.Hα-helixtrans-69.5-47.2178-175176.1179.900110.8N26 R30 K31 V32N26-M28 VanDerWaalsContact C-N 3.27Å; N26-M28 PolarHBondContact O-N 2.85Å; N26-M28 VanDerWaalsContact O-N 3.15Å; N26-M28 PolarHBondContact OD1-N 3.44Å; M28-R30 VanDerWaalsContact C-N 3.34Å; M28-R30 PolarHBondContact O-N 2.86Å; M28-K31 PolarHBondContact O-N 2.98Å; M28-V32 PolarHBondContact O-N 2.85Å
29L94.2Very high94.5Very high98 Ų9863.9 Ų63.951%0.51337%0.369SS..Hα-helixtrans-65.8-35.7178-70-179.7000112.2V25 N26 K31 V32 A33V25-L29 HydrophobicContact CG1-CB 3.67Å; N26-L29 WeakPolarHBondContact ND2-CD1 3.35Å; N26-L29 PolarHBondContact O-N 3Å; N26-L29 VanDerWaalsContact O-N 3.13Å; N26-L29 PolarHBondContact OD1-N 3.18Å; L29-K31 PolarHBondContact O-N 2.84Å; L29-V32 PolarHBondContact O-N 3.44Å; L29-A33 WeakPolarHBondContact O-CB 3.32Å; L29-A33 PolarHBondContact O-N 2.9Å
30R95.6Very high94.2Very high39 Ų3964 Ų6415%0.14737%0.369CS..Hα-helixtrans-62.4-43.8176.2-61.9-162.3-51-91.76.1112.5D17 L20 V25 N26 M28 V32 A33 V34D17-R30 WeakPolarHBondContact O-CD 3.36Å; D17-R30 VanDerWaalsContact OD1-CB 3.23Å; D17-R30 WeakPolarHBondContact OD1-CB 3.38Å; D17-R30 IonicContact OD1-NE 3.17Å; D17-R30 PolarHBondContact OD1-NE 2.88Å; D17-R30 IonicContact OD2-CZ 3.66Å; D17-R30 IonicContact OD2-NE 2.59Å; D17-R30 PolarHBondContact OD2-NE 2.89Å; D17-R30 VanDerWaalsContact OD2-NE 3.16Å; D17-R30 IonicContact OD2-NH2 3.84Å; L20-R30 HydrophobicContact CB-CG 3.76Å; L20-R30 HydrophobicContact CD1-CB 4.33Å; L20-R30 HydrophobicContact CD1-CG 4.33Å; V25-R30 HydrophobicContact CB-CG 3.8Å; V25-R30 HydrophobicContact CG1-CG 3.64Å; V25-R30 WeakPolarHBondContact O-CD 3Å; V25-R30 WeakPolarHBondContact O-CG 3.3Å; V25-R30 PolarHBondContact O-NH1 3.33Å; N26-R30 WeakPolarHBondContact O-CG 3.5Å; N26-R30 PolarHBondContact O-N 2.92Å; M28-R30 VanDerWaalsContact C-N 3.34Å; M28-R30 PolarHBondContact O-N 2.86Å; R30-V32 VanDerWaalsContact C-N 3.29Å; R30-V32 PolarHBondContact O-N 2.98Å; R30-A33 PolarHBondContact O-N 3.49Å; R30-V34 WeakPolarHBondContact O-CB 3.44Å; R30-V34 VanDerWaalsContact O-CG2 3.26Å; R30-V34 WeakPolarHBondContact O-CG2 3.38Å; R30-V34 PolarHBondContact O-N 2.79Å
31K94.3Very high94Very high158 Ų15867.4 Ų67.469%0.68739%0.385SS*.Hα-helixtrans-57.6-43.5175.8-73.7180179.8-176.80112A27 M28 L29 A35A27-K31 WeakPolarHBondContact O-CG 3.38Å; A27-K31 PolarHBondContact O-N 2.71Å; M28-K31 PolarHBondContact O-N 2.98Å; L29-K31 PolarHBondContact O-N 2.84Å; K31-A35 WeakPolarHBondContact O-CB 3.44Å; K31-A35 PolarHBondContact O-N 2.82Å; K31-A35 VanDerWaalsContact O-N 3.12Å
32V94.3Very high94.1Very high82 Ų8262.5 Ų62.550%0.49736%0.364SS..Hα-helixtrans-65.1-46.1176.6176.80000110.8M28 L29 R30 A35 A36M28-V32 PolarHBondContact O-N 2.85Å; L29-V32 PolarHBondContact O-N 3.44Å; R30-V32 VanDerWaalsContact C-N 3.29Å; R30-V32 PolarHBondContact O-N 2.98Å; V32-A35 PolarHBondContact O-N 2.95Å; V32-A36 VanDerWaalsContact O-CB 3.27Å; V32-A36 WeakPolarHBondContact O-CB 3.2Å; V32-A36 PolarHBondContact O-N 3.11Å
33A93.4Very high94.2Very high31 Ų3163.1 Ų63.126%0.25636%0.36SS..Hα-helixtrans-63.6-44-179.500000112.6L20 L29 R30 A36 A37L20-A33 HydrophobicContact CD1-CB 3.66Å; L29-A33 WeakPolarHBondContact O-CB 3.32Å; L29-A33 PolarHBondContact O-N 2.9Å; R30-A33 PolarHBondContact O-N 3.49Å; A33-A36 PolarHBondContact O-N 3.48Å; A33-A37 VanDerWaalsContact O-CB 3.23Å; A33-A37 WeakPolarHBondContact O-CB 3.03Å; A33-A37 PolarHBondContact O-N 2.77Å
34V94.2Very high94.3Very high59 Ų5962.4 Ų62.436%0.35836%0.357SS..Hα-helixtrans-61-46176.1170.70000110.6F16 D17 L20 R30 S38F16-V34 HydrophobicContact CD1-CG2 3.95Å; D17-V34 HydrophobicContact CB-CG2 4.15Å; L20-V34 HydrophobicContact CD1-CG2 4.46Å; R30-V34 WeakPolarHBondContact O-CB 3.44Å; R30-V34 VanDerWaalsContact O-CG2 3.26Å; R30-V34 WeakPolarHBondContact O-CG2 3.38Å; R30-V34 PolarHBondContact O-N 2.79Å; V34-S38 PolarHBondContact O-N 2.82Å
35A93.6Very high94.5Very high64 Ų6466.1 Ų66.153%0.52935%0.35SS..Hα-helixtrans-63.8-43.8177.800000111.8K31 V32 S38K31-A35 WeakPolarHBondContact O-CB 3.44Å; K31-A35 PolarHBondContact O-N 2.82Å; K31-A35 VanDerWaalsContact O-N 3.12Å; V32-A35 PolarHBondContact O-N 2.95Å; A35-S38 VanDerWaalsContact O-CB 3.3Å; A35-S38 WeakPolarHBondContact O-CB 3.4Å; A35-S38 PolarHBondContact O-N 2.59Å; A35-S38 PolarHBondContact O-OG 2.94Å
36A91.9Very high94.6Very high6 Ų666.6 Ų66.65%0.0535%0.351CS..Hα-helixtrans-70.7-35.8-177.400000113.4V32 A33 S38 T57 T58 V59V32-A36 VanDerWaalsContact O-CB 3.27Å; V32-A36 WeakPolarHBondContact O-CB 3.2Å; V32-A36 PolarHBondContact O-N 3.11Å; A33-A36 PolarHBondContact O-N 3.48Å; A36-S38 VanDerWaalsContact C-N 3.28Å; A36-S38 PolarHBondContact O-N 2.79Å; A36-T57 WeakPolarHBondContact O-CB 3.29Å; A36-T58 VanDerWaalsContact CA-OG1 3.25Å; A36-T58 WeakPolarHBondContact CA-OG1 3.19Å; A36-T58 WeakPolarHBondContact CB-OG1 3.15Å; A36-T58 PolarHBondContact O-N 3Å; A36-T58 PolarHBondContact O-OG1 2.93Å; A36-V59 HydrophobicContact CB-CB 4.12Å; A36-V59 HydrophobicContact CB-CG1 3.59Å; A36-V59 HydrophobicContact CB-CG2 3.45Å; A36-V59 VanDerWaalsContact CB-CG2 3.45Å
37A91.1Very high94.7Very high10 Ų1069 Ų698%0.08336%0.363CS..THydrogen-bonded Turntrans-91.519.1178.100000113F16 A33 P40 T57F16-A37 HydrophobicContact CE1-CB 3.92Å; F16-A37 HydrophobicContact CZ-CB 4.3Å; A33-A37 VanDerWaalsContact O-CB 3.23Å; A33-A37 WeakPolarHBondContact O-CB 3.03Å; A33-A37 PolarHBondContact O-N 2.77Å; A37-P40 WeakPolarHBondContact O-CD 3.31Å; A37-T57 HydrophobicContact CB-CG2 4.19Å
38S91.2Very high94.7Very high63 Ų6367.8 Ų67.844%0.44136%0.356SS..THydrogen-bonded Turntrans-74.8-22.4-179.261.60000113.9M10 V34 A35 A36M10-S38 WeakPolarHBondContact CE-O 3.11Å; V34-S38 PolarHBondContact O-N 2.82Å; A35-S38 VanDerWaalsContact O-CB 3.3Å; A35-S38 WeakPolarHBondContact O-CB 3.4Å; A35-S38 PolarHBondContact O-N 2.59Å; A35-S38 PolarHBondContact O-OG 2.94Å; A36-S38 VanDerWaalsContact C-N 3.28Å; A36-S38 PolarHBondContact O-N 2.79Å
39K92Very high94.7Very high178 Ų17863.5 Ų63.577%0.77434%0.336SS*.SBendtrans-14063.2178.5-62.7-176-177.4-178.90111
40P92.8Very high94.9Very high3 Ų362.7 Ų62.72%0.01933%0.33CS..  trans-69.6137.6178.729.4-29.8000109.7M10 A37 T55 S56 T57 Y134M10-P40 HydrophobicContact CB-CG 3.88Å; M10-P40 HydrophobicContact CE-CG 4.21Å; M10-P40 HydrophobicContact CG-CG 4.37Å; M10-P40 HydrophobicContact SD-CG 3.67Å; A37-P40 WeakPolarHBondContact O-CD 3.31Å; P40-T55 HydrophobicContact CB-CG2 4.35Å; P40-S56 CarbonylContact C-O 3.58Å; P40-S56 VanDerWaalsContact CA-O 3.3Å; P40-S56 WeakPolarHBondContact CA-O 3.5Å; P40-T57 HydrophobicContact CB-CG2 4.18Å; P40-Y134 HydrophobicContact CG-CE1 3.92Å; P40-Y134 WeakPolarHBondContact CG-OH 3.26Å
41H92.3Very high95Very high77 Ų7761 Ų6136%0.35632%0.324SS..EExtended strand (participates in β ladder)trans-99.6122.1169-173.887.6000108.3T7 S56 E137T7-H41 WeakPolarHBondContact CG2-CE1 3.38Å; T7-H41 VanDerWaalsContact CG2-NE2 3.32Å; T7-H41 WeakPolarHBondContact CG2-NE2 3.34Å; H41-S56 PolarHBondContact N-O 3.07Å; H41-S56 PolarHBondContact O-N 2.9Å; H41-E137 IonicContact CE1-OE2 2.79Å; H41-E137 PolarHBondContact CE1-OE2 2.86Å; H41-E137 IonicContact ND1-OE2 3.78Å; H41-E137 PolarHBondContact ND1-OE2 2.91Å
42V97.7Very high95.2Very high4 Ų455.1 Ų55.12%0.02430%0.297CS..EExtended strand (participates in β ladder)trans-116.3120-176.51770000109.1T7 W8 I44 I53 K54 T55 Y134T7-V42 CarbonylContact C-O 3.54Å; T7-V42 WeakPolarHBondContact CA-O 3.28Å; W8-V42 HydrophobicContact CB-CB 4.14Å; W8-V42 PolarHBondContact N-O 2.68Å; W8-V42 PolarHBondContact O-N 3.01Å; W8-V42 VanDerWaalsContact O-N 3.07Å; V42-I44 HydrophobicContact CG1-CD1 4.31Å; V42-I44 HydrophobicContact CG1-CG1 3.98Å; V42-I53 HydrophobicContact CG1-CG2 4.19Å; V42-K54 CarbonylContact C-O 3.56Å; V42-K54 WeakPolarHBondContact CA-O 3.42Å; V42-T55 HydrophobicContact CG2-CG2 4.12Å; V42-Y134 HydrophobicContact CB-CE1 4.34Å; V42-Y134 HydrophobicContact CG2-CD1 4.22Å; V42-Y134 HydrophobicContact CG2-CE1 3.55Å
43E98.3Very high95.4Very high51 Ų5151.3 Ų51.324%0.23827%0.274CS..EExtended strand (participates in β ladder)trans-107.6127.2172-176.3-170.8162.200108.3R45 I53 K54E43-R45 IonicContact OE1-CZ 2.74Å; E43-R45 IonicContact OE1-NE 2.75Å; E43-R45 PolarHBondContact OE1-NE 3.01Å; E43-R45 IonicContact OE1-NH2 3.99Å; E43-R45 PolarHBondContact OE1-NH2 2.86Å; E43-R45 IonicContact OE2-NH2 3.21Å; E43-I53 WeakPolarHBondContact O-CA 3.39Å; E43-K54 HydrophobicContact CB-CB 4.31Å; E43-K54 PolarHBondContact N-O 3.06Å; E43-K54 PolarHBondContact O-N 3.49Å
44I98.4Very high95.6Very high3 Ų352.5 Ų52.52%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-117.8130.7175-57.4179.9000108.3F4 A5 G6 V42 F51 Y52 I53 L119F4-I44 HydrophobicContact CB-CD1 4.37Å; F4-I44 HydrophobicContact CB-CG2 3.95Å; F4-I44 WeakPolarHBondContact O-CB 3.48Å; A5-I44 CarbonylContact C-O 3.6Å; A5-I44 VanDerWaalsContact CA-O 3.25Å; A5-I44 WeakPolarHBondContact CA-O 3.28Å; G6-I44 PolarHBondContact N-O 2.95Å; G6-I44 PolarHBondContact O-N 2.88Å; V42-I44 HydrophobicContact CG1-CD1 4.31Å; V42-I44 HydrophobicContact CG1-CG1 3.98Å; I44-F51 HydrophobicContact CG2-CD1 4.17Å; I44-Y52 CarbonylContact C-O 3.55Å; I44-Y52 WeakPolarHBondContact CA-O 3.38Å; I44-I53 HydrophobicContact CG1-CG1 4.21Å; I44-I53 HydrophobicContact CG1-CG2 4.21Å; I44-I53 HydrophobicContact CG2-CG1 4.3Å; I44-L119 HydrophobicContact CD1-CD2 3.74Å
45R98.2Very high95.7Very high145 Ų14551 Ų5155%0.54727%0.265SS..EExtended strand (participates in β ladder)trans-115.3137.5164-54.5174.6-171.7169.92.5108E43 F51 Y52E43-R45 IonicContact OE1-CZ 2.74Å; E43-R45 IonicContact OE1-NE 2.75Å; E43-R45 PolarHBondContact OE1-NE 3.01Å; E43-R45 IonicContact OE1-NH2 3.99Å; E43-R45 PolarHBondContact OE1-NH2 2.86Å; E43-R45 IonicContact OE2-NH2 3.21Å; R45-F51 WeakPolarHBondContact O-CA 3.5Å; R45-Y52 HydrophobicContact CB-CD1 4.3Å; R45-Y52 HydrophobicContact CG-CD1 3.99Å; R45-Y52 PolarHBondContact N-O 2.82Å; R45-Y52 PolarHBondContact O-N 3.07Å
46Q97.7Very high95.8Very high37 Ų3749.3 Ų49.317%0.17325%0.249CC..EExtended strand (participates in β ladder)trans-133.4128.2-178.2-176.5-175.2-9.400108.9P2 A5 G48 Q50 F51P2-Q46 PolarHBondContact O-NE2 2.89Å; P2-Q46 PolarHBondContact O-OE1 2.91Å; A5-Q46 HydrophobicContact CB-CB 4.22Å; Q46-G48 WeakPolarHBondContact CG-O 3.15Å; Q46-G48 PolarHBondContact NE2-O 3.14Å; Q46-G48 VanDerWaalsContact NE2-O 3.08Å; Q46-Q50 CarbonylContact C-O 3.6Å; Q46-Q50 WeakPolarHBondContact CA-O 3.31Å; Q46-F51 HydrophobicContact CB-CD1 4.31Å; Q46-F51 HydrophobicContact CB-CE1 4.1Å; Q46-F51 HydrophobicContact CB-CZ 4.49Å; Q46-F51 VanDerWaalsContact CD-CZ 3.41Å; Q46-F51 HydrophobicContact CG-CD1 4.21Å; Q46-F51 HydrophobicContact CG-CE1 3.71Å; Q46-F51 HydrophobicContact CG-CE2 4.08Å; Q46-F51 HydrophobicContact CG-CZ 3.61Å
47D97Very high95.8Very high135 Ų13550.7 Ų50.772%0.72226%0.257SS*.EExtended strand (participates in β ladder)trans-12897.4168.9-177.113.8000108.5D49 Q50D47-D49 PolarHBondContact O-N 2.9Å; D47-D49 VanDerWaalsContact O-N 3.17Å; D47-Q50 HydrophobicContact CB-CB 4.47Å; D47-Q50 PolarHBondContact N-O 2.83Å; D47-Q50 VanDerWaalsContact O-CB 3.24Å; D47-Q50 WeakPolarHBondContact O-CB 3.12Å; D47-Q50 PolarHBondContact O-N 3.28Å
48G95.4Very high95.7Very high30 Ų3055.7 Ų55.731%0.30929%0.286SS..THydrogen-bonded Turntrans62.4-117.3-171.100000112.2Q46Q46-G48 WeakPolarHBondContact CG-O 3.15Å; Q46-G48 PolarHBondContact NE2-O 3.14Å; Q46-G48 VanDerWaalsContact NE2-O 3.08Å
49D96Very high95.5Very high61 Ų6157.6 Ų57.633%0.32630%0.295SS..THydrogen-bonded Turntrans-92.8-0.6173.8-73.2-42.7000113.3D47 F51 K67 V68 W88D47-D49 PolarHBondContact O-N 2.9Å; D47-D49 VanDerWaalsContact O-N 3.17Å; D49-F51 WeakPolarHBondContact O-CD2 3.31Å; D49-K67 HydrophobicContact CB-CG 4.27Å; D49-K67 CarbonylContact O-C 3.58Å; D49-K67 WeakPolarHBondContact O-CA 3.2Å; D49-V68 HydrophobicContact CB-CB 4.14Å; D49-V68 HydrophobicContact CB-CG2 4.45Å; D49-V68 PolarHBondContact O-N 3.05Å; D49-W88 PolarHBondContact OD1-NE1 3.09Å
50Q97.8Very high95.3Very high81 Ų8155.1 Ų55.138%0.37928%0.281SS..EExtended strand (participates in β ladder)trans-85.6127.5174.3-172.870.148.700109.6Q46 D47 F66Q46-Q50 CarbonylContact C-O 3.6Å; Q46-Q50 WeakPolarHBondContact CA-O 3.31Å; D47-Q50 HydrophobicContact CB-CB 4.47Å; D47-Q50 PolarHBondContact N-O 2.83Å; D47-Q50 VanDerWaalsContact O-CB 3.24Å; D47-Q50 WeakPolarHBondContact O-CB 3.12Å; D47-Q50 PolarHBondContact O-N 3.28Å; Q50-F66 PolarHBondContact NE2-O 2.8Å; Q50-F66 VanDerWaalsContact NE2-O 3.08Å
51F98.4Very high95.4Very high3 Ų358.6 Ų58.61%0.01330%0.302CS..EExtended strand (participates in β ladder)trans-121.7139.7178.9-73.9-100000111F4 I44 R45 Q46 D49 N65 F66 V68 W88 I94F4-F51 HydrophobicContact CB-CE1 4Å; F4-F51 HydrophobicContact CD2-CE1 4.01Å; F4-F51 HydrophobicContact CD2-CZ 4.22Å; F4-F51 HydrophobicContact CG-CE1 4.1Å; I44-F51 HydrophobicContact CG2-CD1 4.17Å; R45-F51 WeakPolarHBondContact O-CA 3.5Å; Q46-F51 HydrophobicContact CB-CD1 4.31Å; Q46-F51 HydrophobicContact CB-CE1 4.1Å; Q46-F51 HydrophobicContact CB-CZ 4.49Å; Q46-F51 VanDerWaalsContact CD-CZ 3.41Å; Q46-F51 HydrophobicContact CG-CD1 4.21Å; Q46-F51 HydrophobicContact CG-CE1 3.71Å; Q46-F51 HydrophobicContact CG-CE2 4.08Å; Q46-F51 HydrophobicContact CG-CZ 3.61Å; D49-F51 WeakPolarHBondContact O-CD2 3.31Å; F51-N65 WeakPolarHBondContact O-CA 3.45Å; F51-F66 HydrophobicContact CB-CD1 4.07Å; F51-F66 HydrophobicContact CB-CD2 4.28Å; F51-F66 HydrophobicContact CB-CE1 3.57Å; F51-F66 HydrophobicContact CB-CE2 3.8Å; F51-F66 HydrophobicContact CB-CG 4.4Å; F51-F66 HydrophobicContact CB-CZ 3.41Å; F51-F66 VanDerWaalsContact CB-CZ 3.41Å; F51-F66 HydrophobicContact CD1-CZ 4.36Å; F51-F66 AromaticContact CD2-CE2 3.91Å; F51-F66 HydrophobicContact CD2-CE2 3.91Å; F51-F66 HydrophobicContact CD2-CZ 4.14Å; F51-F66 HydrophobicContact CG-CE1 4.36Å; F51-F66 AromaticContact CG-CE2 3.97Å; F51-F66 HydrophobicContact CG-CE2 3.97Å; F51-F66 AromaticContact CG-CZ 3.73Å; F51-F66 HydrophobicContact CG-CZ 3.73Å; F51-F66 PolarHBondContact N-O 3.15Å; F51-F66 PolarHBondContact O-N 2.85Å; F51-V68 HydrophobicContact CD2-CG2 3.88Å; F51-V68 HydrophobicContact CE2-CG2 3.65Å; F51-W88 HydrophobicContact CE2-CH2 4.41Å; F51-W88 HydrophobicContact CE2-CZ2 4.01Å; F51-W88 AromaticContact CZ-CH2 3.88Å; F51-W88 HydrophobicContact CZ-CH2 3.88Å; F51-W88 AromaticContact CZ-CZ2 3.92Å; F51-W88 HydrophobicContact CZ-CZ2 3.92Å; F51-I94 HydrophobicContact CD1-CD1 4.45Å; F51-I94 HydrophobicContact CD2-CD1 4.48Å; F51-I94 HydrophobicContact CE1-CD1 3.84Å; F51-I94 HydrophobicContact CE2-CD1 3.91Å; F51-I94 HydrophobicContact CZ-CD1 3.55Å
52Y98.5Very high95.4Very high34 Ų3457.6 Ų57.613%0.13330%0.302CS..EExtended strand (participates in β ladder)trans-119.2129.3159.4167.2-100.7000107.9I44 R45 K54 E63 I64 N65I44-Y52 CarbonylContact C-O 3.55Å; I44-Y52 WeakPolarHBondContact CA-O 3.38Å; R45-Y52 HydrophobicContact CB-CD1 4.3Å; R45-Y52 HydrophobicContact CG-CD1 3.99Å; R45-Y52 PolarHBondContact N-O 2.82Å; R45-Y52 PolarHBondContact O-N 3.07Å; Y52-K54 HydrophobicContact CE1-CB 3.84Å; Y52-E63 HydrophobicContact CE2-CB 4.03Å; Y52-E63 HydrophobicContact CE2-CG 4.34Å; Y52-E63 WeakPolarHBondContact CE2-OE2 3.37Å; Y52-E63 PolarHBondContact OH-OE1 2.9Å; Y52-E63 PolarHBondContact OH-OE2 3.2Å; Y52-I64 CarbonylContact C-O 3.59Å; Y52-I64 WeakPolarHBondContact CA-O 3.48Å; Y52-N65 VanDerWaalsContact CD2-OD1 3.26Å; Y52-N65 WeakPolarHBondContact CD2-OD1 3.29Å
53I98Very high95.4Very high3 Ų362 Ų622%0.01532%0.322CS..EExtended strand (participates in β ladder)trans-129.7120.9177.6-53.3-177.2000108.8V42 E43 I44 E63 I64 F66 R112V42-I53 HydrophobicContact CG1-CG2 4.19Å; E43-I53 WeakPolarHBondContact O-CA 3.39Å; I44-I53 HydrophobicContact CG1-CG1 4.21Å; I44-I53 HydrophobicContact CG1-CG2 4.21Å; I44-I53 HydrophobicContact CG2-CG1 4.3Å; I53-E63 WeakPolarHBondContact O-CA 3.34Å; I53-I64 HydrophobicContact CB-CD1 4.25Å; I53-I64 HydrophobicContact CB-CG1 3.79Å; I53-I64 HydrophobicContact CD1-CD1 4.39Å; I53-I64 HydrophobicContact CG1-CG1 4.43Å; I53-I64 PolarHBondContact N-O 2.94Å; I53-I64 PolarHBondContact O-N 2.83Å; I53-F66 HydrophobicContact CD1-CE1 3.82Å; I53-F66 HydrophobicContact CD1-CZ 4.18Å; I53-F66 HydrophobicContact CG1-CE1 4.22Å; I53-R112 VanDerWaalsContact CD1-CZ 3.47Å
54K97.7Very high95.3Very high55 Ų5560.6 Ų60.624%0.23932%0.316CS..EExtended strand (participates in β ladder)trans-109.4124.5172.5175.5173.3-169.1140.60109.5V42 E43 Y52 T61 T62 E63V42-K54 CarbonylContact C-O 3.56Å; V42-K54 WeakPolarHBondContact CA-O 3.42Å; E43-K54 HydrophobicContact CB-CB 4.31Å; E43-K54 PolarHBondContact N-O 3.06Å; E43-K54 PolarHBondContact O-N 3.49Å; Y52-K54 HydrophobicContact CE1-CB 3.84Å; K54-T61 HydrophobicContact CG-CG2 4.16Å; K54-T62 CarbonylContact C-O 3.45Å; K54-T62 WeakPolarHBondContact CA-O 3.33Å; K54-E63 HydrophobicContact CB-CG 4.17Å; K54-E63 HydrophobicContact CD-CG 4.35Å; K54-E63 WeakPolarHBondContact CE-OE1 3.46Å; K54-E63 HydrophobicContact CG-CG 3.98Å; K54-E63 IonicContact NZ-OE1 2.74Å; K54-E63 PolarHBondContact NZ-OE1 3.07Å
55T95.8Very high95.3Very high28 Ų2865.2 Ų65.217%0.17234%0.341CS..EExtended strand (participates in β ladder)trans-116.4116.8174.6-57.30000108.9P40 V42 T61 T62P40-T55 HydrophobicContact CB-CG2 4.35Å; V42-T55 HydrophobicContact CG2-CG2 4.12Å; T55-T61 CarbonylContact O-C 3.57Å; T55-T61 WeakPolarHBondContact O-CA 3.37Å; T55-T62 PolarHBondContact N-O 2.54Å; T55-T62 PolarHBondContact O-N 2.86Å
56S95Very high95.3Very high28 Ų2858.5 Ų58.520%0.19632%0.315CS..EExtended strand (participates in β ladder)trans-112126.1-179.7-51.10000110.1P40 H41P40-S56 CarbonylContact C-O 3.58Å; P40-S56 VanDerWaalsContact CA-O 3.3Å; P40-S56 WeakPolarHBondContact CA-O 3.5Å; H41-S56 PolarHBondContact N-O 3.07Å; H41-S56 PolarHBondContact O-N 2.9Å
57T92.6Very high95.3Very high35 Ų3560.8 Ų60.822%0.21533%0.325CS..  trans-118.5176.817266.30000109.3A36 A37 P40 V59 R60A36-T57 WeakPolarHBondContact O-CB 3.29Å; A37-T57 HydrophobicContact CB-CG2 4.19Å; P40-T57 HydrophobicContact CB-CG2 4.18Å; T57-V59 PolarHBondContact O-N 3.38Å; T57-R60 PolarHBondContact N-O 2.8Å; T57-R60 PolarHBondContact OG1-N 3.3Å; T57-R60 PolarHBondContact OG1-O 3.3Å
58T89.4Confident95.4Very high115 Ų11555.2 Ų55.271%0.70630%0.296SS*.SBendtrans-65.1-21.1178.755.40000113.9A36A36-T58 VanDerWaalsContact CA-OG1 3.25Å; A36-T58 WeakPolarHBondContact CA-OG1 3.19Å; A36-T58 WeakPolarHBondContact CB-OG1 3.15Å; A36-T58 PolarHBondContact O-N 3Å; A36-T58 PolarHBondContact O-OG1 2.93Å
59V87.3Confident95.5Very high104 Ų10456.2 Ų56.263%0.6331%0.306SS*.SBendtrans-117.5-21.5-174.5-59.40000114.2A36 T57A36-V59 HydrophobicContact CB-CB 4.12Å; A36-V59 HydrophobicContact CB-CG1 3.59Å; A36-V59 HydrophobicContact CB-CG2 3.45Å; A36-V59 VanDerWaalsContact CB-CG2 3.45Å; T57-V59 PolarHBondContact O-N 3.38Å
60R88Confident95.6Very high125 Ų12558.1 Ų58.147%0.47231%0.313SS..  trans-147.1139.9-173.5-174-176.1-70.5-145.92.3110.6T57 T62 E75T57-R60 PolarHBondContact N-O 2.8Å; T57-R60 PolarHBondContact OG1-N 3.3Å; T57-R60 PolarHBondContact OG1-O 3.3Å; R60-T62 HydrophobicContact CG-CG2 4.09Å; R60-E75 IonicContact NH1-OE2 3.95Å; R60-E75 PolarHBondContact NH1-OE2 3.04Å
61T93.1Very high95.6Very high76 Ų7656.1 Ų56.147%0.46632%0.315SS..EExtended strand (participates in β ladder)trans-114.5133164.7-60.80000108.5K54 T55 E63K54-T61 HydrophobicContact CG-CG2 4.16Å; T55-T61 CarbonylContact O-C 3.57Å; T55-T61 WeakPolarHBondContact O-CA 3.37Å; T61-E63 HydrophobicContact CG2-CG 4.42Å
62T93.6Very high95.6Very high57 Ų5757.1 Ų57.135%0.3532%0.319SS..EExtended strand (participates in β ladder)trans-121146.2171.859.90000109.9K54 T55 R60K54-T62 CarbonylContact C-O 3.45Å; K54-T62 WeakPolarHBondContact CA-O 3.33Å; T55-T62 PolarHBondContact N-O 2.54Å; T55-T62 PolarHBondContact O-N 2.86Å; R60-T62 HydrophobicContact CG-CG2 4.09Å
63E96.6Very high95.5Very high97 Ų9762 Ų6245%0.45334%0.343SS..EExtended strand (participates in β ladder)trans-135.3128.2179-60.8-170.5-16900108.5Y52 I53 K54 T61Y52-E63 HydrophobicContact CE2-CB 4.03Å; Y52-E63 HydrophobicContact CE2-CG 4.34Å; Y52-E63 WeakPolarHBondContact CE2-OE2 3.37Å; Y52-E63 PolarHBondContact OH-OE1 2.9Å; Y52-E63 PolarHBondContact OH-OE2 3.2Å; I53-E63 WeakPolarHBondContact O-CA 3.34Å; K54-E63 HydrophobicContact CB-CG 4.17Å; K54-E63 HydrophobicContact CD-CG 4.35Å; K54-E63 WeakPolarHBondContact CE-OE1 3.46Å; K54-E63 HydrophobicContact CG-CG 3.98Å; K54-E63 IonicContact NZ-OE1 2.74Å; K54-E63 PolarHBondContact NZ-OE1 3.07Å; T61-E63 HydrophobicContact CG2-CG 4.42Å
64I97Very high95.4Very high21 Ų2162.9 Ų62.911%0.10835%0.347CS..EExtended strand (participates in β ladder)trans-124.9139.4175.161.5173.6000109.8Y52 I53 F66 F72 E74 W110Y52-I64 CarbonylContact C-O 3.59Å; Y52-I64 WeakPolarHBondContact CA-O 3.48Å; I53-I64 HydrophobicContact CB-CD1 4.25Å; I53-I64 HydrophobicContact CB-CG1 3.79Å; I53-I64 HydrophobicContact CD1-CD1 4.39Å; I53-I64 HydrophobicContact CG1-CG1 4.43Å; I53-I64 PolarHBondContact N-O 2.94Å; I53-I64 PolarHBondContact O-N 2.83Å; I64-F66 HydrophobicContact CD1-CD1 4.01Å; I64-F66 HydrophobicContact CD1-CE1 3.88Å; I64-F66 HydrophobicContact CG1-CD1 4.23Å; I64-F66 HydrophobicContact CG1-CE1 4.32Å; I64-F72 HydrophobicContact CB-CE2 4.45Å; I64-F72 HydrophobicContact CD1-CE2 4.44Å; I64-E74 HydrophobicContact CG2-CB 3.79Å; I64-W110 HydrophobicContact CD1-CZ2 4.19Å
65N97.8Very high95.3Very high99 Ų9963.6 Ų63.653%0.52935%0.351SS..EExtended strand (participates in β ladder)trans-122.9123.8172-72.2-87.8000107.5F51 Y52F51-N65 WeakPolarHBondContact O-CA 3.45Å; Y52-N65 VanDerWaalsContact CD2-OD1 3.26Å; Y52-N65 WeakPolarHBondContact CD2-OD1 3.29Å
66F98.3Very high95.2Very high4 Ų462.5 Ų62.52%0.01834%0.344CS..EExtended strand (participates in β ladder)trans-150159179.967.1-88.2000111Q50 F51 I53 I64 V68 F72 A86 W110Q50-F66 PolarHBondContact NE2-O 2.8Å; Q50-F66 VanDerWaalsContact NE2-O 3.08Å; F51-F66 HydrophobicContact CB-CD1 4.07Å; F51-F66 HydrophobicContact CB-CD2 4.28Å; F51-F66 HydrophobicContact CB-CE1 3.57Å; F51-F66 HydrophobicContact CB-CE2 3.8Å; F51-F66 HydrophobicContact CB-CG 4.4Å; F51-F66 HydrophobicContact CB-CZ 3.41Å; F51-F66 VanDerWaalsContact CB-CZ 3.41Å; F51-F66 HydrophobicContact CD1-CZ 4.36Å; F51-F66 AromaticContact CD2-CE2 3.91Å; F51-F66 HydrophobicContact CD2-CE2 3.91Å; F51-F66 HydrophobicContact CD2-CZ 4.14Å; F51-F66 HydrophobicContact CG-CE1 4.36Å; F51-F66 AromaticContact CG-CE2 3.97Å; F51-F66 HydrophobicContact CG-CE2 3.97Å; F51-F66 AromaticContact CG-CZ 3.73Å; F51-F66 HydrophobicContact CG-CZ 3.73Å; F51-F66 PolarHBondContact N-O 3.15Å; F51-F66 PolarHBondContact O-N 2.85Å; I53-F66 HydrophobicContact CD1-CE1 3.82Å; I53-F66 HydrophobicContact CD1-CZ 4.18Å; I53-F66 HydrophobicContact CG1-CE1 4.22Å; I64-F66 HydrophobicContact CD1-CD1 4.01Å; I64-F66 HydrophobicContact CD1-CE1 3.88Å; I64-F66 HydrophobicContact CG1-CD1 4.23Å; I64-F66 HydrophobicContact CG1-CE1 4.32Å; F66-V68 HydrophobicContact CE2-CG2 4.18Å; F66-F72 HydrophobicContact CB-CB 4.23Å; F66-F72 HydrophobicContact CB-CD1 3.35Å; F66-F72 HydrophobicContact CB-CD2 3.92Å; F66-F72 HydrophobicContact CB-CE1 3.52Å; F66-F72 HydrophobicContact CB-CE2 4.06Å; F66-F72 HydrophobicContact CB-CG 3.57Å; F66-F72 HydrophobicContact CB-CZ 3.88Å; F66-F72 HydrophobicContact CD1-CE1 4.36Å; F66-F72 HydrophobicContact CD1-CE2 4.28Å; F66-F72 HydrophobicContact CD1-CZ 4.01Å; F66-F72 HydrophobicContact CD2-CE1 4.19Å; F66-F72 HydrophobicContact CG-CD1 4.15Å; F66-F72 AromaticContact CG-CE1 3.79Å; F66-F72 HydrophobicContact CG-CE1 3.79Å; F66-F72 HydrophobicContact CG-CE2 4.38Å; F66-F72 AromaticContact CG-CZ 3.91Å; F66-F72 HydrophobicContact CG-CZ 3.91Å; F66-A86 HydrophobicContact CD2-CB 3.67Å; F66-A86 HydrophobicContact CE2-CB 3.52Å; F66-A86 HydrophobicContact CZ-CB 4.39Å; F66-W110 HydrophobicContact CE1-CH2 4.12Å; F66-W110 HydrophobicContact CE1-CZ2 4.36Å; F66-W110 HydrophobicContact CE2-CH2 4.45Å; F66-W110 AromaticContact CZ-CH2 3.79Å; F66-W110 HydrophobicContact CZ-CH2 3.79Å; F66-W110 HydrophobicContact CZ-CZ2 4.42Å
67K98.2Very high94.9Very high85 Ų8563.6 Ų63.637%0.3735%0.35SS..EExtended strand (participates in β ladder)trans-113.3134.5168.5-177.3167.1161.6-1440108.9D49 G69 E70D49-K67 HydrophobicContact CB-CG 4.27Å; D49-K67 CarbonylContact O-C 3.58Å; D49-K67 WeakPolarHBondContact O-CA 3.2Å; K67-G69 PolarHBondContact O-N 2.77Å; K67-E70 HydrophobicContact CB-CB 4.3Å; K67-E70 HydrophobicContact CB-CG 4.36Å; K67-E70 VanDerWaalsContact CD-OE1 3.28Å; K67-E70 WeakPolarHBondContact CD-OE1 3.35Å; K67-E70 WeakPolarHBondContact CE-OE1 3.48Å; K67-E70 IonicContact NZ-OE1 3.53Å; K67-E70 PolarHBondContact NZ-OE1 2.85Å; K67-E70 PolarHBondContact O-N 2.85Å
68V97.8Very high94.9Very high18 Ų1864 Ų6411%0.10935%0.351CS..THydrogen-bonded Turntrans-59.8131.3179.3-175.50000109.4D49 F51 F66 A86 W88 I94D49-V68 HydrophobicContact CB-CB 4.14Å; D49-V68 HydrophobicContact CB-CG2 4.45Å; D49-V68 PolarHBondContact O-N 3.05Å; F51-V68 HydrophobicContact CD2-CG2 3.88Å; F51-V68 HydrophobicContact CE2-CG2 3.65Å; F66-V68 HydrophobicContact CE2-CG2 4.18Å; V68-A86 WeakPolarHBondContact CG1-O 3.39Å; V68-W88 HydrophobicContact CG1-CG 4.09Å; V68-W88 HydrophobicContact CG2-CZ2 4.29Å; V68-I94 HydrophobicContact CG2-CD1 4.43Å
69G98Very high95Very high52 Ų5259.7 Ų59.754%0.53633%0.329SS..THydrogen-bonded Turntrans88.1-6.7-174.600000115.1K67 A86K67-G69 PolarHBondContact O-N 2.77Å; G69-A86 PolarHBondContact N-O 2.81Å
70E98.4Very high95.3Very high100 Ų10057.7 Ų57.747%0.46731%0.311SS..SBendtrans-112138.5178.8-62.9-178.3-158.500111.1K67K67-E70 HydrophobicContact CB-CB 4.3Å; K67-E70 HydrophobicContact CB-CG 4.36Å; K67-E70 VanDerWaalsContact CD-OE1 3.28Å; K67-E70 WeakPolarHBondContact CD-OE1 3.35Å; K67-E70 WeakPolarHBondContact CE-OE1 3.48Å; K67-E70 IonicContact NZ-OE1 3.53Å; K67-E70 PolarHBondContact NZ-OE1 2.85Å; K67-E70 PolarHBondContact O-N 2.85Å
71G97.9Very high95.7Very high40 Ų4057.5 Ų57.541%0.41231%0.313SS..EExtended strand (participates in β ladder)trans-75.2140.3178.600000112S84G71-S84 CarbonylContact C-O 3.59Å; G71-S84 VanDerWaalsContact CA-O 3.28Å; G71-S84 WeakPolarHBondContact CA-O 3.28Å
72F98.2Very high95.9Very high23 Ų2353.9 Ų53.910%0.10129%0.291CS..EExtended strand (participates in β ladder)trans-140.8169.6179.365.6-78.2000111.1I64 F66 E74 R83 S84 A86 W110I64-F72 HydrophobicContact CB-CE2 4.45Å; I64-F72 HydrophobicContact CD1-CE2 4.44Å; F66-F72 HydrophobicContact CB-CB 4.23Å; F66-F72 HydrophobicContact CB-CD1 3.35Å; F66-F72 HydrophobicContact CB-CD2 3.92Å; F66-F72 HydrophobicContact CB-CE1 3.52Å; F66-F72 HydrophobicContact CB-CE2 4.06Å; F66-F72 HydrophobicContact CB-CG 3.57Å; F66-F72 HydrophobicContact CB-CZ 3.88Å; F66-F72 HydrophobicContact CD1-CE1 4.36Å; F66-F72 HydrophobicContact CD1-CE2 4.28Å; F66-F72 HydrophobicContact CD1-CZ 4.01Å; F66-F72 HydrophobicContact CD2-CE1 4.19Å; F66-F72 HydrophobicContact CG-CD1 4.15Å; F66-F72 AromaticContact CG-CE1 3.79Å; F66-F72 HydrophobicContact CG-CE1 3.79Å; F66-F72 HydrophobicContact CG-CE2 4.38Å; F66-F72 AromaticContact CG-CZ 3.91Å; F66-F72 HydrophobicContact CG-CZ 3.91Å; F72-E74 HydrophobicContact CD2-CB 4.39Å; F72-E74 HydrophobicContact CE2-CB 4.06Å; F72-E74 HydrophobicContact CE2-CG 4.05Å; F72-R83 CarbonylContact O-C 3.43Å; F72-R83 WeakPolarHBondContact O-CA 3.46Å; F72-S84 WeakPolarHBondContact CD1-O 3.26Å; F72-S84 PolarHBondContact N-O 2.73Å; F72-S84 PolarHBondContact O-N 2.96Å; F72-A86 HydrophobicContact CE1-CB 4.26Å; F72-W110 HydrophobicContact CZ-CZ2 4.27Å
73E96.8Very high96.1Very high136 Ų13658.2 Ų58.264%0.63630%0.301SS*.EExtended strand (participates in β ladder)trans-105.1138.4175.8-67.9-177.6-176.900110.9C82E73-C82 WeakPolarHBondContact CA-O 3.47Å
74E96.6Very high96.2Very high22 Ų2253.7 Ų53.710%0.10328%0.28CS..EExtended strand (participates in β ladder)trans-147.8-167.2172.669.3178.5156.300111I64 F72 C82 S84 Q98 W110I64-E74 HydrophobicContact CG2-CB 3.79Å; F72-E74 HydrophobicContact CD2-CB 4.39Å; F72-E74 HydrophobicContact CE2-CB 4.06Å; F72-E74 HydrophobicContact CE2-CG 4.05Å; E74-C82 PolarHBondContact N-O 2.84Å; E74-C82 PolarHBondContact O-N 2.87Å; E74-S84 VanDerWaalsContact CG-OG 3.31Å; E74-S84 WeakPolarHBondContact CG-OG 3.24Å; E74-S84 VanDerWaalsContact OE1-CB 3.3Å; E74-S84 WeakPolarHBondContact OE1-CB 3.43Å; E74-S84 PolarHBondContact OE1-OG 2.74Å; E74-Q98 VanDerWaalsContact CD-NE2 3.3Å; E74-Q98 PolarHBondContact OE1-NE2 3.17Å; E74-W110 PolarHBondContact OE1-NE1 3.34Å
75E94.7Very high96.3Very high70 Ų7056.5 Ų56.533%0.32730%0.295SS..EExtended strand (participates in β ladder)trans-114142169-73.2175.2-162.400110.2R60 R80 K81R60-E75 IonicContact NH1-OE2 3.95Å; R60-E75 PolarHBondContact NH1-OE2 3.04Å; E75-R80 CarbonylContact C-O 3.49Å; E75-R80 VanDerWaalsContact CA-O 3.28Å; E75-R80 WeakPolarHBondContact CA-O 3.46Å; E75-K81 HydrophobicContact CG-CD 3.84Å; E75-K81 WeakPolarHBondContact OE1-CE 3.28Å; E75-K81 IonicContact OE1-NZ 2.81Å; E75-K81 PolarHBondContact OE1-NZ 3.17Å
76T92.9Very high96.3Very high5 Ų551.8 Ų51.83%0.03127%0.269CS..  trans-63.2167.7165.260.20000110.6D78 G79 R80 C82 L100T76-D78 VanDerWaalsContact CB-OD1 3.24Å; T76-D78 WeakPolarHBondContact CB-OD1 3.12Å; T76-D78 PolarHBondContact O-N 2.87Å; T76-D78 VanDerWaalsContact O-N 3.15Å; T76-D78 PolarHBondContact OG1-OD1 2.92Å; T76-G79 WeakPolarHBondContact O-CA 3.5Å; T76-G79 PolarHBondContact O-N 2.75Å; T76-R80 PolarHBondContact N-O 3.4Å; T76-R80 WeakPolarHBondContact OG1-CB 3.31Å; T76-R80 PolarHBondContact OG1-N 3.28Å; T76-R80 VanDerWaalsContact OG1-N 3.07Å; T76-R80 PolarHBondContact OG1-O 2.59Å; T76-C82 HydrophobicContact CG2-CB 4.07Å; T76-L100 HydrophobicContact CG2-CD2 3.97Å
77V90.4Very high96.3Very high51 Ų5154.3 Ų54.331%0.30929%0.285SS..THydrogen-bonded Turntrans-57.1-32.2-178.9174.90000112.9F16 L19 L20 L23 G79 F123F16-V77 HydrophobicContact CE2-CG1 3.74Å; F16-V77 HydrophobicContact CZ-CG1 4.09Å; L19-V77 HydrophobicContact CD2-CG1 4.27Å; L19-V77 HydrophobicContact CD2-CG2 4.45Å; L20-V77 HydrophobicContact CD2-CG1 3.86Å; L23-V77 HydrophobicContact CD1-CB 4.23Å; V77-G79 VanDerWaalsContact C-N 3.35Å; V77-F123 HydrophobicContact CG2-CD1 3.52Å; V77-F123 HydrophobicContact CG2-CE1 3.63Å; V77-F123 HydrophobicContact CG2-CG 4.09Å; V77-F123 HydrophobicContact CG2-CZ 4.27Å
78D91.8Very high96.2Very high43 Ų4353.9 Ų53.923%0.2328%0.281CS..THydrogen-bonded Turntrans-86.50.2175.963.5-47.9000114L23 V25 T76 R80L23-D78 HydrophobicContact CB-CB 4.13Å; L23-D78 HydrophobicContact CD1-CB 4.1Å; V25-D78 HydrophobicContact CG2-CB 3.89Å; T76-D78 VanDerWaalsContact CB-OD1 3.24Å; T76-D78 WeakPolarHBondContact CB-OD1 3.12Å; T76-D78 PolarHBondContact O-N 2.87Å; T76-D78 VanDerWaalsContact O-N 3.15Å; T76-D78 PolarHBondContact OG1-OD1 2.92Å; D78-R80 IonicContact OD1-NE 3.06Å; D78-R80 IonicContact OD1-NH2 3.07Å; D78-R80 WeakPolarHBondContact OD2-CD 3.31Å; D78-R80 IonicContact OD2-CZ 3.11Å; D78-R80 IonicContact OD2-NE 2.68Å; D78-R80 PolarHBondContact OD2-NE 3.21Å; D78-R80 IonicContact OD2-NH2 3.16Å
79G91.8Very high96.2Very high25 Ų2557.9 Ų57.926%0.25830%0.299SS..SBendtrans92.813.5171.500000115.8T76 V77T76-G79 WeakPolarHBondContact O-CA 3.5Å; T76-G79 PolarHBondContact O-N 2.75Å; V77-G79 VanDerWaalsContact C-N 3.35Å
80R94Very high96.1Very high63 Ų6358.8 Ų58.824%0.23829%0.291CS..  trans-83.5139.4175.9-63.9-178-71.21597.1110.2E75 T76 D78 L100 D104E75-R80 CarbonylContact C-O 3.49Å; E75-R80 VanDerWaalsContact CA-O 3.28Å; E75-R80 WeakPolarHBondContact CA-O 3.46Å; T76-R80 PolarHBondContact N-O 3.4Å; T76-R80 WeakPolarHBondContact OG1-CB 3.31Å; T76-R80 PolarHBondContact OG1-N 3.28Å; T76-R80 VanDerWaalsContact OG1-N 3.07Å; T76-R80 PolarHBondContact OG1-O 2.59Å; D78-R80 IonicContact OD1-NE 3.06Å; D78-R80 IonicContact OD1-NH2 3.07Å; D78-R80 WeakPolarHBondContact OD2-CD 3.31Å; D78-R80 IonicContact OD2-CZ 3.11Å; D78-R80 IonicContact OD2-NE 2.68Å; D78-R80 PolarHBondContact OD2-NE 3.21Å; D78-R80 IonicContact OD2-NH2 3.16Å; R80-L100 HydrophobicContact CB-CD2 3.68Å; R80-D104 PolarHBondContact NH1-O 3.35Å; R80-D104 VanDerWaalsContact NH1-O 3.17Å
81K96.3Very high95.9Very high121 Ų12160.3 Ų60.353%0.52630%0.299SS..EExtended strand (participates in β ladder)trans-68.3132.5178.8-63.2-68.1-177.7-172.50110.5E75 L101E75-K81 HydrophobicContact CG-CD 3.84Å; E75-K81 WeakPolarHBondContact OE1-CE 3.28Å; E75-K81 IonicContact OE1-NZ 2.81Å; E75-K81 PolarHBondContact OE1-NZ 3.17Å; K81-L101 HydrophobicContact CB-CB 4.45Å; K81-L101 HydrophobicContact CB-CD1 3.87Å; K81-L101 HydrophobicContact CB-CG 4.25Å; K81-L101 PolarHBondContact O-N 2.96Å
82C97.2Very high95.9Very high0 Ų061.5 Ų61.50%030%0.296CS..EExtended strand (participates in β ladder)trans-140.3155.5179.261.70000111.8E73 E74 T76 Q98 T99E73-C82 WeakPolarHBondContact CA-O 3.47Å; E74-C82 PolarHBondContact N-O 2.84Å; E74-C82 PolarHBondContact O-N 2.87Å; T76-C82 HydrophobicContact CG2-CB 4.07Å; C82-Q98 HydrophobicContact CB-CB 4.32Å; C82-T99 CarbonylContact C-O 3.55Å; C82-T99 WeakPolarHBondContact CA-O 3.35Å; C82-T99 WeakPolarHBondContact CB-O 3.47Å
83R97.6Very high95.8Very high148 Ų14862.1 Ų62.156%0.55830%0.298SS*.EExtended strand (participates in β ladder)trans-92.3131.2162.7-170.2170.1-177.7125.7-0.8108.8F72 T99 L101F72-R83 CarbonylContact O-C 3.43Å; F72-R83 WeakPolarHBondContact O-CA 3.46Å; R83-T99 PolarHBondContact N-O 3.26Å; R83-T99 PolarHBondContact O-N 3.42Å; R83-L101 HydrophobicContact CB-CD2 3.88Å
84S98.3Very high95.9Very high2 Ų255.8 Ų55.81%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-119.9148.8-174.8-74.40000111.6G71 F72 E74 T97G71-S84 CarbonylContact C-O 3.59Å; G71-S84 VanDerWaalsContact CA-O 3.28Å; G71-S84 WeakPolarHBondContact CA-O 3.28Å; F72-S84 WeakPolarHBondContact CD1-O 3.26Å; F72-S84 PolarHBondContact N-O 2.73Å; F72-S84 PolarHBondContact O-N 2.96Å; E74-S84 VanDerWaalsContact CG-OG 3.31Å; E74-S84 WeakPolarHBondContact CG-OG 3.24Å; E74-S84 VanDerWaalsContact OE1-CB 3.3Å; E74-S84 WeakPolarHBondContact OE1-CB 3.43Å; E74-S84 PolarHBondContact OE1-OG 2.74Å; S84-T97 VanDerWaalsContact CA-O 3.3Å; S84-T97 WeakPolarHBondContact CA-O 3.34Å
85L98.5Very high96Very high79 Ų7957 Ų5741%0.41427%0.274SS..EExtended strand (participates in β ladder)trans-135111.1174.117964.3000109.1T87 C96 T97L85-T87 HydrophobicContact CG-CG2 4.25Å; L85-C96 VanDerWaalsContact O-CA 3.31Å; L85-C96 WeakPolarHBondContact O-CA 3.31Å; L85-T97 PolarHBondContact N-O 2.93Å; L85-T97 VanDerWaalsContact N-O 3.07Å; L85-T97 PolarHBondContact O-N 2.84Å; L85-T97 VanDerWaalsContact O-N 3.13Å
86A98.4Very high96.2Very high0 Ų053.6 Ų53.60%026%0.258CS..EExtended strand (participates in β ladder)trans-91.1133.8175.200000110.5F66 V68 G69 F72 I94 H95 C96 W110F66-A86 HydrophobicContact CD2-CB 3.67Å; F66-A86 HydrophobicContact CE2-CB 3.52Å; F66-A86 HydrophobicContact CZ-CB 4.39Å; V68-A86 WeakPolarHBondContact CG1-O 3.39Å; G69-A86 PolarHBondContact N-O 2.81Å; F72-A86 HydrophobicContact CE1-CB 4.26Å; A86-I94 HydrophobicContact CB-CG2 3.91Å; A86-H95 CarbonylContact C-O 3.54Å; A86-H95 WeakPolarHBondContact CA-O 3.36Å; A86-C96 HydrophobicContact CB-CB 4.25Å; A86-W110 HydrophobicContact CB-CH2 4.42Å
87T98.1Very high96.4Very high58 Ų5856.7 Ų56.736%0.35628%0.277SS..EExtended strand (participates in β ladder)trans-138.2148.317854.70000110.7L85 E89 I94 H95L85-T87 HydrophobicContact CG-CG2 4.25Å; T87-E89 PolarHBondContact O-N 2.96Å; T87-I94 WeakPolarHBondContact O-CA 3.45Å; T87-H95 PolarHBondContact N-O 3.22Å; T87-H95 PolarHBondContact O-N 3.11Å; T87-H95 PolarHBondContact OG1-O 2.83Å
88W97.6Very high96.8Very high75 Ų7554.9 Ų54.928%0.28427%0.266SS..EExtended strand (participates in β ladder)trans-69117.9168.4-66.7114.4000109.9P2 F4 D49 F51 V68 I94P2-W88 HydrophobicContact CG-CH2 3.58Å; P2-W88 HydrophobicContact CG-CZ2 4.49Å; P2-W88 HydrophobicContact CG-CZ3 3.7Å; F4-W88 HydrophobicContact CD2-CH2 4.24Å; F4-W88 AromaticContact CE2-CH2 3.62Å; F4-W88 HydrophobicContact CE2-CH2 3.62Å; F4-W88 AromaticContact CE2-CZ3 3.68Å; F4-W88 HydrophobicContact CE2-CZ3 3.68Å; F4-W88 HydrophobicContact CZ-CH2 4.46Å; F4-W88 HydrophobicContact CZ-CZ3 4.15Å; D49-W88 PolarHBondContact OD1-NE1 3.09Å; F51-W88 HydrophobicContact CE2-CH2 4.41Å; F51-W88 HydrophobicContact CE2-CZ2 4.01Å; F51-W88 AromaticContact CZ-CH2 3.88Å; F51-W88 HydrophobicContact CZ-CH2 3.88Å; F51-W88 AromaticContact CZ-CZ2 3.92Å; F51-W88 HydrophobicContact CZ-CZ2 3.92Å; V68-W88 HydrophobicContact CG1-CG 4.09Å; V68-W88 HydrophobicContact CG2-CZ2 4.29Å; W88-I94 HydrophobicContact CD2-CG1 4.18Å; W88-I94 HydrophobicContact CE3-CD1 4.5Å; W88-I94 HydrophobicContact CE3-CG1 3.57Å; W88-I94 HydrophobicContact CH2-CD1 3.7Å; W88-I94 HydrophobicContact CH2-CG1 3.65Å; W88-I94 HydrophobicContact CZ2-CD1 4.19Å; W88-I94 HydrophobicContact CZ2-CG1 4.25Å; W88-I94 HydrophobicContact CZ3-CD1 3.89Å; W88-I94 HydrophobicContact CZ3-CG1 3.29Å
89E97.1Very high97Very high102 Ų10257.2 Ų57.248%0.47728%0.281SS..EExtended strand (participates in β ladder)trans-81.8-36.5171.3-171.7-177.9136.200110.2T87 K93 H95T87-E89 PolarHBondContact O-N 2.96Å; E89-K93 HydrophobicContact CB-CB 4.4Å; E89-K93 HydrophobicContact CB-CD 4.33Å; E89-K93 HydrophobicContact CB-CG 4.23Å; E89-K93 VanDerWaalsContact CD-NZ 3.31Å; E89-K93 HydrophobicContact CG-CD 4.44Å; E89-K93 PolarHBondContact N-O 2.81Å; E89-K93 IonicContact OE1-NZ 3.06Å; E89-K93 PolarHBondContact OE1-NZ 3.06Å; E89-K93 WeakPolarHBondContact OE2-CE 3.46Å; E89-K93 IonicContact OE2-NZ 3.65Å; E89-K93 PolarHBondContact OE2-NZ 3.36Å; E89-K93 VanDerWaalsContact OE2-NZ 3.11Å; E89-H95 HydrophobicContact CB-CB 4.28Å; E89-H95 IonicContact OE2-ND1 3.71Å
90N96.2Very high97.3Very high71 Ų7157.5 Ų57.538%0.3828%0.277SS..EExtended strand (participates in β ladder)trans-152.7-173.8170.364.352.8000109.3N92 K93N90-N92 PolarHBondContact O-N 3.47Å; N90-N92 PolarHBondContact OD1-N 3.26Å; N90-K93 PolarHBondContact N-O 2.88Å; N90-K93 WeakPolarHBondContact ND2-CB 3.31Å; N90-K93 PolarHBondContact O-N 2.87Å; N90-K93 VanDerWaalsContact OD1-CB 3.31Å; N90-K93 WeakPolarHBondContact OD1-CB 3.36Å; N90-K93 PolarHBondContact OD1-N 3.4Å
91E94.4Very high97.4Very high132 Ų13258.4 Ų58.462%0.61729%0.286SS*.THydrogen-bonded Turntrans-57.4-32.6-177.8-176.1172.6-166.300113.2P2P2-E91 WeakPolarHBondContact CD-O 3.38Å; P2-E91 WeakPolarHBondContact CG-O 3.3Å
92N96.3Very high97.3Very high66 Ų6660.9 Ų60.935%0.35330%0.3SS..THydrogen-bonded Turntrans-113.35.7-172.9-63.3-44.7000113.9F4 N90 E113 L114F4-N92 WeakPolarHBondContact CZ-O 3.35Å; N90-N92 PolarHBondContact O-N 3.47Å; N90-N92 PolarHBondContact OD1-N 3.26Å; N92-E113 CarbonylContact O-C 3.53Å; N92-E113 VanDerWaalsContact O-CA 3.29Å; N92-E113 WeakPolarHBondContact O-CA 3.3Å; N92-L114 PolarHBondContact O-N 2.8Å
93K97.9Very high97Very high36 Ų3664 Ų6416%0.15733%0.331CS..EExtended strand (participates in β ladder)trans-133.5123.9-171.8-174.2175.6-178.4-1660112.5E89 N90 R112 E113E89-K93 HydrophobicContact CB-CB 4.4Å; E89-K93 HydrophobicContact CB-CD 4.33Å; E89-K93 HydrophobicContact CB-CG 4.23Å; E89-K93 VanDerWaalsContact CD-NZ 3.31Å; E89-K93 HydrophobicContact CG-CD 4.44Å; E89-K93 PolarHBondContact N-O 2.81Å; E89-K93 IonicContact OE1-NZ 3.06Å; E89-K93 PolarHBondContact OE1-NZ 3.06Å; E89-K93 WeakPolarHBondContact OE2-CE 3.46Å; E89-K93 IonicContact OE2-NZ 3.65Å; E89-K93 PolarHBondContact OE2-NZ 3.36Å; E89-K93 VanDerWaalsContact OE2-NZ 3.11Å; N90-K93 PolarHBondContact N-O 2.88Å; N90-K93 WeakPolarHBondContact ND2-CB 3.31Å; N90-K93 PolarHBondContact O-N 2.87Å; N90-K93 VanDerWaalsContact OD1-CB 3.31Å; N90-K93 WeakPolarHBondContact OD1-CB 3.36Å; N90-K93 PolarHBondContact OD1-N 3.4Å; K93-R112 WeakPolarHBondContact CA-O 3.24Å; K93-E113 HydrophobicContact CB-CB 4.13Å; K93-E113 HydrophobicContact CB-CG 4.03Å; K93-E113 HydrophobicContact CD-CB 4.34Å; K93-E113 HydrophobicContact CD-CG 4.41Å; K93-E113 HydrophobicContact CG-CB 3.96Å; K93-E113 HydrophobicContact CG-CG 4.28Å
94I98.1Very high96.7Very high2 Ų264.6 Ų64.61%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-97.1131.1169.1-58.5175.3000108.3F4 F51 V68 A86 T87 W88 W110 T111 R112F4-I94 HydrophobicContact CE2-CD1 4.45Å; F4-I94 HydrophobicContact CZ-CD1 4.49Å; F4-I94 HydrophobicContact CZ-CG1 4.43Å; F51-I94 HydrophobicContact CD1-CD1 4.45Å; F51-I94 HydrophobicContact CD2-CD1 4.48Å; F51-I94 HydrophobicContact CE1-CD1 3.84Å; F51-I94 HydrophobicContact CE2-CD1 3.91Å; F51-I94 HydrophobicContact CZ-CD1 3.55Å; V68-I94 HydrophobicContact CG2-CD1 4.43Å; A86-I94 HydrophobicContact CB-CG2 3.91Å; T87-I94 WeakPolarHBondContact O-CA 3.45Å; W88-I94 HydrophobicContact CD2-CG1 4.18Å; W88-I94 HydrophobicContact CE3-CD1 4.5Å; W88-I94 HydrophobicContact CE3-CG1 3.57Å; W88-I94 HydrophobicContact CH2-CD1 3.7Å; W88-I94 HydrophobicContact CH2-CG1 3.65Å; W88-I94 HydrophobicContact CZ2-CD1 4.19Å; W88-I94 HydrophobicContact CZ2-CG1 4.25Å; W88-I94 HydrophobicContact CZ3-CD1 3.89Å; W88-I94 HydrophobicContact CZ3-CG1 3.29Å; I94-W110 HydrophobicContact CG2-CH2 4.19Å; I94-W110 HydrophobicContact CG2-CZ3 3.96Å; I94-T111 CarbonylContact O-C 3.59Å; I94-T111 WeakPolarHBondContact O-CA 3.37Å; I94-T111 VanDerWaalsContact O-CB 3.31Å; I94-T111 WeakPolarHBondContact O-CB 3.36Å; I94-R112 PolarHBondContact N-O 3.29Å; I94-R112 PolarHBondContact O-N 3.44Å
95H98.5Very high96.4Very high47 Ų4766.6 Ų66.622%0.21837%0.367CS..EExtended strand (participates in β ladder)trans-108.9133.2166.5-173.498.1000109.3A86 T87 E89 Y109 T111A86-H95 CarbonylContact C-O 3.54Å; A86-H95 WeakPolarHBondContact CA-O 3.36Å; T87-H95 PolarHBondContact N-O 3.22Å; T87-H95 PolarHBondContact O-N 3.11Å; T87-H95 PolarHBondContact OG1-O 2.83Å; E89-H95 HydrophobicContact CB-CB 4.28Å; E89-H95 IonicContact OE2-ND1 3.71Å; H95-Y109 AromaticContact CE1-CD2 3.53Å; H95-Y109 AromaticContact CE1-CG 3.82Å; H95-T111 HydrophobicContact CB-CG2 4.28Å; H95-T111 WeakPolarHBondContact ND1-CG2 3.45Å
96C98.5Very high96.2Very high0 Ų064 Ų640%036%0.355CS..EExtended strand (participates in β ladder)trans-126.3117.1177.4-173.30000110.7L85 A86 Y109 W110L85-C96 VanDerWaalsContact O-CA 3.31Å; L85-C96 WeakPolarHBondContact O-CA 3.31Å; A86-C96 HydrophobicContact CB-CB 4.25Å; C96-Y109 CarbonylContact O-C 3.6Å; C96-Y109 WeakPolarHBondContact O-CA 3.39Å; C96-Y109 WeakPolarHBondContact O-CB 3.25Å; C96-W110 HydrophobicContact CB-CD2 3.42Å; C96-W110 VanDerWaalsContact CB-CD2 3.42Å; C96-W110 HydrophobicContact CB-CE3 3.72Å; C96-W110 HydrophobicContact CB-CG 4.05Å; C96-W110 HydrophobicContact CB-CH2 3.58Å; C96-W110 HydrophobicContact CB-CZ2 3.3Å; C96-W110 HydrophobicContact CB-CZ3 3.78Å; C96-W110 PolarHBondContact N-O 2.85Å; C96-W110 PolarHBondContact O-N 2.71Å; C96-W110 WeakPolarHBondContact SG-CZ2 3.36Å
97T98.2Very high96Very high70 Ų7072.2 Ų72.243%0.42939%0.39SS..EExtended strand (participates in β ladder)trans-88.8136.1174.3-51.50000109.8S84 L85S84-T97 VanDerWaalsContact CA-O 3.3Å; S84-T97 WeakPolarHBondContact CA-O 3.34Å; L85-T97 PolarHBondContact N-O 2.93Å; L85-T97 VanDerWaalsContact N-O 3.07Å; L85-T97 PolarHBondContact O-N 2.84Å; L85-T97 VanDerWaalsContact O-N 3.13Å
98Q98.2Very high96Very high13 Ų1369.8 Ų69.86%0.06138%0.375CS..EExtended strand (participates in β ladder)trans-112.9128.5179.4-54.4-172.8-6100110.2E74 C82 T108E74-Q98 VanDerWaalsContact CD-NE2 3.3Å; E74-Q98 PolarHBondContact OE1-NE2 3.17Å; C82-Q98 HydrophobicContact CB-CB 4.32Å; Q98-T108 WeakPolarHBondContact CB-OG1 3.45Å; Q98-T108 PolarHBondContact N-O 2.98Å
99T96.5Very high96Very high91 Ų9169 Ų6956%0.55837%0.373SS*.EExtended strand (participates in β ladder)trans-119.7121.8176.7-53.90000109.3C82 R83C82-T99 CarbonylContact C-O 3.55Å; C82-T99 WeakPolarHBondContact CA-O 3.35Å; C82-T99 WeakPolarHBondContact CB-O 3.47Å; R83-T99 PolarHBondContact N-O 3.26Å; R83-T99 PolarHBondContact O-N 3.42Å
100L96.9Very high96Very high31 Ų3164.4 Ų64.416%0.16235%0.351CS..EExtended strand (participates in β ladder)trans-60.1140.3-178.8-63.3167.7000111.2T76 R80T76-L100 HydrophobicContact CG2-CD2 3.97Å; R80-L100 HydrophobicContact CB-CD2 3.68Å
101L96.2Very high96.1Very high83 Ų8361.3 Ų61.344%0.43534%0.335SS..SBendtrans-75.6-32.4173.8-62.1-174000111.7K81 R83K81-L101 HydrophobicContact CB-CB 4.45Å; K81-L101 HydrophobicContact CB-CD1 3.87Å; K81-L101 HydrophobicContact CB-CG 4.25Å; K81-L101 PolarHBondContact O-N 2.96Å; R83-L101 HydrophobicContact CB-CD2 3.88Å
102E94.4Very high96.3Very high173 Ų17355.7 Ų55.781%0.80831%0.308SS*.SBendtrans-140.6143.9-179-67.1-174.7174.400111
103G92.3Very high96.4Very high64 Ų6455.2 Ų55.266%0.6630%0.304SS*.SBendtrans73.6-178.2178.400000114
104D90.9Very high96.4Very high161 Ų16155 Ų5586%0.86130%0.304SS*.  trans-107.9164.9179.1-64-50.8000111.1R80R80-D104 PolarHBondContact NH1-O 3.35Å; R80-D104 VanDerWaalsContact NH1-O 3.17Å
105G91.2Very high96.3Very high45 Ų4556.3 Ų56.346%0.46432%0.315SS..  trans168.8-172169.900000112.8
106P93.8Very high95.9Very high25 Ų2561.4 Ų61.416%0.16234%0.344CS..  trans-55.3146.9177.7-27.336000112.2L23 T108 A125 D126L23-P106 HydrophobicContact CD2-CG 4.43Å; P106-T108 PolarHBondContact O-N 3.37Å; P106-A125 HydrophobicContact CB-CB 4.1Å; P106-D126 WeakPolarHBondContact CA-OD2 3.32Å; P106-D126 VanDerWaalsContact CB-OD2 3.31Å; P106-D126 WeakPolarHBondContact CB-OD2 3.48Å
107K94.6Very high95.5Very high171 Ų17168.7 Ų68.774%0.74338%0.383SS*.  trans-67.7122.3167.9-69.3-179.8-178.5177.20108.2A125 D126K107-A125 WeakPolarHBondContact O-CA 3.44Å; K107-D126 PolarHBondContact N-OD1 3.41Å; K107-D126 PolarHBondContact O-N 2.97Å
108T97.7Very high95.4Very high7 Ų767.4 Ų67.44%0.04337%0.372CS..EExtended strand (participates in β ladder)trans-114.7146.5-176.447.50000111.6L23 Q98 P106 G124 A125L23-T108 HydrophobicContact CD2-CG2 3.63Å; Q98-T108 WeakPolarHBondContact CB-OG1 3.45Å; Q98-T108 PolarHBondContact N-O 2.98Å; P106-T108 PolarHBondContact O-N 3.37Å; T108-G124 VanDerWaalsContact CA-O 3.29Å; T108-G124 WeakPolarHBondContact CA-O 3.27Å; T108-A125 HydrophobicContact CG2-CB 4.25Å
109Y98.2Very high95.4Very high60 Ų6066.9 Ų66.924%0.23537%0.37CS..EExtended strand (participates in β ladder)trans-153.3162.8175.169-92.1000110.1H95 C96 T111 T122 F123 G124H95-Y109 AromaticContact CE1-CD2 3.53Å; H95-Y109 AromaticContact CE1-CG 3.82Å; C96-Y109 CarbonylContact O-C 3.6Å; C96-Y109 WeakPolarHBondContact O-CA 3.39Å; C96-Y109 WeakPolarHBondContact O-CB 3.25Å; Y109-T111 HydrophobicContact CD2-CG2 4.06Å; Y109-T111 HydrophobicContact CE2-CG2 4.15Å; Y109-T122 HydrophobicContact CE2-CG2 4.45Å; Y109-F123 WeakPolarHBondContact O-CA 3.23Å; Y109-G124 PolarHBondContact N-O 3.02Å; Y109-G124 PolarHBondContact O-N 3.21Å
110W98.2Very high95.5Very high5 Ų564.5 Ų64.52%0.01935%0.353CS..EExtended strand (participates in β ladder)trans-133.7152.1164.158.9-102000111I64 F66 F72 E74 A86 I94 C96 R112 L121 T122 F123I64-W110 HydrophobicContact CD1-CZ2 4.19Å; F66-W110 HydrophobicContact CE1-CH2 4.12Å; F66-W110 HydrophobicContact CE1-CZ2 4.36Å; F66-W110 HydrophobicContact CE2-CH2 4.45Å; F66-W110 AromaticContact CZ-CH2 3.79Å; F66-W110 HydrophobicContact CZ-CH2 3.79Å; F66-W110 HydrophobicContact CZ-CZ2 4.42Å; F72-W110 HydrophobicContact CZ-CZ2 4.27Å; E74-W110 PolarHBondContact OE1-NE1 3.34Å; A86-W110 HydrophobicContact CB-CH2 4.42Å; I94-W110 HydrophobicContact CG2-CH2 4.19Å; I94-W110 HydrophobicContact CG2-CZ3 3.96Å; C96-W110 HydrophobicContact CB-CD2 3.42Å; C96-W110 VanDerWaalsContact CB-CD2 3.42Å; C96-W110 HydrophobicContact CB-CE3 3.72Å; C96-W110 HydrophobicContact CB-CG 4.05Å; C96-W110 HydrophobicContact CB-CH2 3.58Å; C96-W110 HydrophobicContact CB-CZ2 3.3Å; C96-W110 HydrophobicContact CB-CZ3 3.78Å; C96-W110 PolarHBondContact N-O 2.85Å; C96-W110 PolarHBondContact O-N 2.71Å; C96-W110 WeakPolarHBondContact SG-CZ2 3.36Å; W110-R112 HydrophobicContact CE3-CG 4.21Å; W110-R112 VanDerWaalsContact CH2-NH1 3.29Å; W110-R112 HydrophobicContact CZ3-CB 4.48Å; W110-R112 HydrophobicContact CZ3-CG 4.16Å; W110-L121 HydrophobicContact CB-CD1 4.5Å; W110-T122 CarbonylContact C-O 3.59Å; W110-T122 WeakPolarHBondContact CA-O 3.37Å; W110-F123 HydrophobicContact CB-CD1 3.76Å; W110-F123 HydrophobicContact CB-CE1 3.97Å
111T98.3Very high95.5Very high5 Ų563.3 Ų63.33%0.03135%0.347CS..EExtended strand (participates in β ladder)trans-126.4150.2170.971.80000111I94 H95 Y109 L121 T122I94-T111 CarbonylContact O-C 3.59Å; I94-T111 WeakPolarHBondContact O-CA 3.37Å; I94-T111 VanDerWaalsContact O-CB 3.31Å; I94-T111 WeakPolarHBondContact O-CB 3.36Å; H95-T111 HydrophobicContact CB-CG2 4.28Å; H95-T111 WeakPolarHBondContact ND1-CG2 3.45Å; Y109-T111 HydrophobicContact CD2-CG2 4.06Å; Y109-T111 HydrophobicContact CE2-CG2 4.15Å; T111-L121 WeakPolarHBondContact O-CA 3.32Å; T111-L121 VanDerWaalsContact O-CD1 3.28Å; T111-L121 WeakPolarHBondContact O-CD1 3.41Å; T111-T122 PolarHBondContact N-O 3.48Å; T111-T122 PolarHBondContact O-N 2.98Å; T111-T122 VanDerWaalsContact OG1-CB 3.31Å; T111-T122 WeakPolarHBondContact OG1-CB 3.37Å
112R98.2Very high95.6Very high15 Ų1560.5 Ų60.56%0.05733%0.333CS..EExtended strand (participates in β ladder)trans-128.9120.7169.8-76.4-175.6179.987.7-1.3109F4 I53 K93 I94 W110 L119 I120 L121F4-R112 HydrophobicContact CE1-CB 3.99Å; I53-R112 VanDerWaalsContact CD1-CZ 3.47Å; K93-R112 WeakPolarHBondContact CA-O 3.24Å; I94-R112 PolarHBondContact N-O 3.29Å; I94-R112 PolarHBondContact O-N 3.44Å; W110-R112 HydrophobicContact CE3-CG 4.21Å; W110-R112 VanDerWaalsContact CH2-NH1 3.29Å; W110-R112 HydrophobicContact CZ3-CB 4.48Å; W110-R112 HydrophobicContact CZ3-CG 4.16Å; R112-L119 HydrophobicContact CB-CD1 4.02Å; R112-L119 HydrophobicContact CG-CD1 4.32Å; R112-I120 WeakPolarHBondContact CA-O 3.04Å; R112-L121 HydrophobicContact CG-CD1 3.9Å
113E98.1Very high95.8Very high56 Ų5653.5 Ų53.526%0.26230%0.3SS..EExtended strand (participates in β ladder)trans-125133.3-178.6-176.4167.4-165.800110.5N92 K93 L119 I120N92-E113 CarbonylContact O-C 3.53Å; N92-E113 VanDerWaalsContact O-CA 3.29Å; N92-E113 WeakPolarHBondContact O-CA 3.3Å; K93-E113 HydrophobicContact CB-CB 4.13Å; K93-E113 HydrophobicContact CB-CG 4.03Å; K93-E113 HydrophobicContact CD-CB 4.34Å; K93-E113 HydrophobicContact CD-CG 4.41Å; K93-E113 HydrophobicContact CG-CB 3.96Å; K93-E113 HydrophobicContact CG-CG 4.28Å; E113-L119 WeakPolarHBondContact O-CA 3.49Å; E113-I120 HydrophobicContact CB-CB 4.37Å; E113-I120 PolarHBondContact N-O 3.23Å; E113-I120 PolarHBondContact O-N 2.85Å
114L97.5Very high96Very high32 Ų3250.6 Ų50.617%0.16827%0.27CS..EExtended strand (participates in β ladder)trans-91.3121.5168.1-69177.4000109.6P2 F4 W8 N92 E118 L119P2-L114 HydrophobicContact CB-CD1 3.98Å; F4-L114 HydrophobicContact CD1-CD1 4.08Å; F4-L114 HydrophobicContact CD1-CD2 4.02Å; F4-L114 HydrophobicContact CD1-CG 3.75Å; F4-L114 HydrophobicContact CD2-CD1 3.88Å; F4-L114 HydrophobicContact CD2-CG 4.34Å; F4-L114 HydrophobicContact CE1-CD1 4.22Å; F4-L114 HydrophobicContact CE1-CD2 4.22Å; F4-L114 HydrophobicContact CE1-CG 3.62Å; F4-L114 HydrophobicContact CE2-CD1 4Å; F4-L114 HydrophobicContact CE2-CG 4.2Å; F4-L114 HydrophobicContact CG-CD1 3.92Å; F4-L114 HydrophobicContact CG-CG 4.13Å; F4-L114 HydrophobicContact CZ-CD1 4.18Å; F4-L114 HydrophobicContact CZ-CG 3.85Å; W8-L114 HydrophobicContact CH2-CD2 3.69Å; W8-L114 HydrophobicContact CZ2-CD2 3.85Å; N92-L114 PolarHBondContact O-N 2.8Å; L114-E118 WeakPolarHBondContact CA-O 3.48Å; L114-L119 HydrophobicContact CD2-CB 4.25Å; L114-L119 HydrophobicContact CD2-CD1 4.14Å
115A95.8Very high96.3Very high29 Ų2943 Ų4324%0.2423%0.229CC..EExtended strand (participates in β ladder)trans-145.6126.9176.600000110.1D117 E118 I120A115-D117 PolarHBondContact O-N 2.9Å; A115-E118 PolarHBondContact N-O 2.92Å; A115-E118 WeakPolarHBondContact O-CA 3.44Å; A115-E118 VanDerWaalsContact O-CB 3.31Å; A115-E118 WeakPolarHBondContact O-CB 3.37Å; A115-E118 PolarHBondContact O-N 3.28Å; A115-I120 HydrophobicContact CB-CD1 3.89Å
116N89.6Confident96.5Very high154 Ų15445.2 Ų45.282%0.82423%0.231SC*.THydrogen-bonded Turntrans49.149175.4-55.1-39.6000114.2E118N116-E118 PolarHBondContact O-N 3.14Å; N116-E118 VanDerWaalsContact O-N 3.14Å
117D90.1Very high96.5Very high152 Ų15251 Ų5181%0.81326%0.26SS*.THydrogen-bonded Turntrans649.2-176.3-55.9-46.8000115.8A115A115-D117 PolarHBondContact O-N 2.9Å
118E96.8Very high96.7Very high44 Ų4444.2 Ų44.221%0.20623%0.233CC..EExtended strand (participates in β ladder)trans-104.8150.1175-59176.4177.800110.8R11 L114 A115 N116 I133 Y134 V135R11-E118 IonicContact CZ-OE1 3.55Å; R11-E118 IonicContact CZ-OE2 3.58Å; R11-E118 IonicContact NH1-OE1 3.25Å; R11-E118 PolarHBondContact NH1-OE1 3.48Å; R11-E118 IonicContact NH1-OE2 3.82Å; R11-E118 VanDerWaalsContact NH2-CD 3.26Å; R11-E118 IonicContact NH2-OE1 3.38Å; R11-E118 PolarHBondContact NH2-OE1 3.33Å; R11-E118 IonicContact NH2-OE2 2.78Å; R11-E118 PolarHBondContact NH2-OE2 3.02Å; L114-E118 WeakPolarHBondContact CA-O 3.48Å; A115-E118 PolarHBondContact N-O 2.92Å; A115-E118 WeakPolarHBondContact O-CA 3.44Å; A115-E118 VanDerWaalsContact O-CB 3.31Å; A115-E118 WeakPolarHBondContact O-CB 3.37Å; A115-E118 PolarHBondContact O-N 3.28Å; N116-E118 PolarHBondContact O-N 3.14Å; N116-E118 VanDerWaalsContact O-N 3.14Å; E118-I133 HydrophobicContact CB-CG2 4Å; E118-I133 HydrophobicContact CG-CG2 4.24Å; E118-I133 VanDerWaalsContact OE2-CG2 3.26Å; E118-I133 WeakPolarHBondContact OE2-CG2 3.45Å; E118-Y134 WeakPolarHBondContact CA-O 3.32Å; E118-V135 HydrophobicContact CG-CG1 4.34Å
119L98Very high96.7Very high2 Ų246.7 Ų46.71%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-103.3111.6166.2171.667.2000108.2F4 W8 I44 R112 E113 L114 Y134F4-L119 HydrophobicContact CD1-CD1 3.8Å; F4-L119 HydrophobicContact CE1-CD1 3.89Å; W8-L119 HydrophobicContact CB-CD2 4.39Å; W8-L119 HydrophobicContact CD2-CB 3.85Å; W8-L119 HydrophobicContact CD2-CD2 3.88Å; W8-L119 HydrophobicContact CE3-CB 3.55Å; W8-L119 HydrophobicContact CE3-CD2 4.41Å; W8-L119 HydrophobicContact CG-CD2 3.86Å; W8-L119 HydrophobicContact CH2-CB 3.93Å; W8-L119 HydrophobicContact CZ2-CB 4.2Å; W8-L119 HydrophobicContact CZ3-CB 3.6Å; I44-L119 HydrophobicContact CD1-CD2 3.74Å; R112-L119 HydrophobicContact CB-CD1 4.02Å; R112-L119 HydrophobicContact CG-CD1 4.32Å; E113-L119 WeakPolarHBondContact O-CA 3.49Å; L114-L119 HydrophobicContact CD2-CB 4.25Å; L114-L119 HydrophobicContact CD2-CD1 4.14Å; L119-Y134 PolarHBondContact N-O 3.37Å; L119-Y134 PolarHBondContact O-N 2.78Å
120I98.2Very high96.7Very high41 Ų4143.9 Ų43.921%0.2124%0.237CC..EExtended strand (participates in β ladder)trans-93117.7176.3-54.2173.9000107.9R112 E113 A115 T131R112-I120 WeakPolarHBondContact CA-O 3.04Å; E113-I120 HydrophobicContact CB-CB 4.37Å; E113-I120 PolarHBondContact N-O 3.23Å; E113-I120 PolarHBondContact O-N 2.85Å; A115-I120 HydrophobicContact CB-CD1 3.89Å; I120-T131 HydrophobicContact CG2-CG2 4.07Å
121L98Very high96.7Very high6 Ų645.6 Ų45.63%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-108.1125.1175.5173.461.8000108.9W110 T111 R112 F123 T131 R132 Y134W110-L121 HydrophobicContact CB-CD1 4.5Å; T111-L121 WeakPolarHBondContact O-CA 3.32Å; T111-L121 VanDerWaalsContact O-CD1 3.28Å; T111-L121 WeakPolarHBondContact O-CD1 3.41Å; R112-L121 HydrophobicContact CG-CD1 3.9Å; L121-F123 HydrophobicContact CD1-CE1 4.27Å; L121-F123 HydrophobicContact CD1-CE2 4.21Å; L121-F123 HydrophobicContact CD1-CZ 3.97Å; L121-F123 HydrophobicContact CD2-CD2 4.47Å; L121-F123 HydrophobicContact CD2-CE2 3.46Å; L121-F123 VanDerWaalsContact CD2-CE2 3.46Å; L121-F123 HydrophobicContact CD2-CZ 3.52Å; L121-F123 HydrophobicContact CG-CD2 4.25Å; L121-F123 HydrophobicContact CG-CE2 3.67Å; L121-F123 HydrophobicContact CG-CZ 3.88Å; L121-T131 CarbonylContact O-C 3.59Å; L121-T131 WeakPolarHBondContact O-CA 3.42Å; L121-R132 HydrophobicContact CB-CB 4.26Å; L121-R132 PolarHBondContact N-O 3.15Å; L121-R132 PolarHBondContact O-N 3.48Å; L121-Y134 HydrophobicContact CB-CD2 4.32Å; L121-Y134 HydrophobicContact CB-CE2 3.92Å; L121-Y134 HydrophobicContact CD2-CE2 3.75Å
122T98.3Very high96.7Very high23 Ų2346 Ų4614%0.14125%0.249CC..EExtended strand (participates in β ladder)trans-116.8135.9173.6-56.80000109.3Y109 W110 T111 V129 C130Y109-T122 HydrophobicContact CE2-CG2 4.45Å; W110-T122 CarbonylContact C-O 3.59Å; W110-T122 WeakPolarHBondContact CA-O 3.37Å; T111-T122 PolarHBondContact N-O 3.48Å; T111-T122 PolarHBondContact O-N 2.98Å; T111-T122 VanDerWaalsContact OG1-CB 3.31Å; T111-T122 WeakPolarHBondContact OG1-CB 3.37Å; T122-V129 HydrophobicContact CG2-CG1 3.31Å; T122-C130 CarbonylContact C-O 3.57Å; T122-C130 VanDerWaalsContact CA-O 3.31Å; T122-C130 WeakPolarHBondContact CA-O 3.21Å
123F97.7Very high96.7Very high27 Ų2746.8 Ų46.812%0.11825%0.254CS..EExtended strand (participates in β ladder)trans-114.2135.3167.6-63.4-76.8000108.8L19 V77 Y109 W110 L121 V129 C130L19-F123 HydrophobicContact CD1-CB 4.2Å; L19-F123 HydrophobicContact CD2-CB 3.58Å; L19-F123 HydrophobicContact CD2-CG 4.2Å; V77-F123 HydrophobicContact CG2-CD1 3.52Å; V77-F123 HydrophobicContact CG2-CE1 3.63Å; V77-F123 HydrophobicContact CG2-CG 4.09Å; V77-F123 HydrophobicContact CG2-CZ 4.27Å; Y109-F123 WeakPolarHBondContact O-CA 3.23Å; W110-F123 HydrophobicContact CB-CD1 3.76Å; W110-F123 HydrophobicContact CB-CE1 3.97Å; L121-F123 HydrophobicContact CD1-CE1 4.27Å; L121-F123 HydrophobicContact CD1-CE2 4.21Å; L121-F123 HydrophobicContact CD1-CZ 3.97Å; L121-F123 HydrophobicContact CD2-CD2 4.47Å; L121-F123 HydrophobicContact CD2-CE2 3.46Å; L121-F123 VanDerWaalsContact CD2-CE2 3.46Å; L121-F123 HydrophobicContact CD2-CZ 3.52Å; L121-F123 HydrophobicContact CG-CD2 4.25Å; L121-F123 HydrophobicContact CG-CE2 3.67Å; L121-F123 HydrophobicContact CG-CZ 3.88Å; F123-V129 WeakPolarHBondContact O-CA 3.37Å; F123-C130 HydrophobicContact CB-CB 4.33Å; F123-C130 PolarHBondContact N-O 3.31Å; F123-C130 PolarHBondContact O-N 2.86Å
124G97.6Very high96.7Very high3 Ų344.2 Ų44.23%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-120144.1173.100000112.2T108 Y109 V128T108-G124 VanDerWaalsContact CA-O 3.29Å; T108-G124 WeakPolarHBondContact CA-O 3.27Å; Y109-G124 PolarHBondContact N-O 3.02Å; Y109-G124 PolarHBondContact O-N 3.21Å; G124-V128 WeakPolarHBondContact CA-O 3.41Å
125A97.2Very high96.6Very high0 Ų044.5 Ų44.50%025%0.245CC..EExtended strand (participates in β ladder)trans-137.1104.9165.900000107.4L19 A22 L23 P106 K107 T108 D127 V128L19-A125 HydrophobicContact CD1-CB 3.76Å; A22-A125 HydrophobicContact CB-CB 4.31Å; L23-A125 HydrophobicContact CD2-CB 3.85Å; L23-A125 HydrophobicContact CG-CB 4.09Å; P106-A125 HydrophobicContact CB-CB 4.1Å; K107-A125 WeakPolarHBondContact O-CA 3.44Å; T108-A125 HydrophobicContact CG2-CB 4.25Å; A125-D127 PolarHBondContact O-N 3.5Å; A125-D127 VanDerWaalsContact O-N 3.17Å; A125-V128 PolarHBondContact N-O 3.29Å; A125-V128 PolarHBondContact O-N 3.13Å
126D94Very high96.5Very high93 Ų9348.6 Ų48.650%0.49725%0.254SS..THydrogen-bonded Turntrans50.8-112.4-168.7-63.1-32.6000112.7P106 K107P106-D126 WeakPolarHBondContact CA-OD2 3.32Å; P106-D126 VanDerWaalsContact CB-OD2 3.31Å; P106-D126 WeakPolarHBondContact CB-OD2 3.48Å; K107-D126 PolarHBondContact N-OD1 3.41Å; K107-D126 PolarHBondContact O-N 2.97Å
127D95.1Very high96.5Very high147 Ų14748.5 Ų48.579%0.78625%0.249SC*.THydrogen-bonded Turntrans-90.3-8.5179.863.2-34.5000113.6A125A125-D127 PolarHBondContact O-N 3.5Å; A125-D127 VanDerWaalsContact O-N 3.17Å
128V97.8Very high96.9Very high28 Ų2843.3 Ų43.317%0.1722%0.22CC..EExtended strand (participates in β ladder)trans-90126.2-179.5-1790000110.6E18 L19 A22 G124 A125E18-V128 HydrophobicContact CB-CG1 4.25Å; L19-V128 HydrophobicContact CB-CG1 4.4Å; A22-V128 HydrophobicContact CB-CB 4.03Å; A22-V128 HydrophobicContact CB-CG1 4.42Å; A22-V128 HydrophobicContact CB-CG2 3.83Å; G124-V128 WeakPolarHBondContact CA-O 3.41Å; A125-V128 PolarHBondContact N-O 3.29Å; A125-V128 PolarHBondContact O-N 3.13Å
129V98.3Very high96.9Very high59 Ų5943.3 Ų43.336%0.35822%0.221SC..EExtended strand (participates in β ladder)trans-119.5129.3-180-177.80000110N15 T122 F123N15-V129 VanDerWaalsContact CB-O 3.32Å; N15-V129 WeakPolarHBondContact CB-O 3.44Å; N15-V129 PolarHBondContact ND2-O 3.15Å; T122-V129 HydrophobicContact CG2-CG1 3.31Å; F123-V129 WeakPolarHBondContact O-CA 3.37Å
130C98.2Very high96.8Very high0 Ų045.6 Ų45.60%023%0.233CC..EExtended strand (participates in β ladder)trans-110.8133.2169.4167.30000109.2E14 L19 T122 F123E14-C130 WeakPolarHBondContact O-CA 3.26Å; E14-C130 PolarHBondContact O-SG 3.39Å; L19-C130 HydrophobicContact CB-CB 3.9Å; L19-C130 HydrophobicContact CD1-CB 4.43Å; L19-C130 HydrophobicContact CD2-CB 3.94Å; L19-C130 HydrophobicContact CG-CB 4.3Å; T122-C130 CarbonylContact C-O 3.57Å; T122-C130 VanDerWaalsContact CA-O 3.31Å; T122-C130 WeakPolarHBondContact CA-O 3.21Å; F123-C130 HydrophobicContact CB-CB 4.33Å; F123-C130 PolarHBondContact N-O 3.31Å; F123-C130 PolarHBondContact O-N 2.86Å
131T98.4Very high96.7Very high42 Ų4245.8 Ų45.826%0.25823%0.234SC..EExtended strand (participates in β ladder)trans-118.4133.9178-59.20000109.7S13 E14 I120 L121 I133S13-T131 WeakPolarHBondContact CA-O 3.26Å; E14-T131 PolarHBondContact N-O 3.17Å; E14-T131 PolarHBondContact O-N 2.82Å; I120-T131 HydrophobicContact CG2-CG2 4.07Å; L121-T131 CarbonylContact O-C 3.59Å; L121-T131 WeakPolarHBondContact O-CA 3.42Å; T131-I133 HydrophobicContact CG2-CG1 4.49Å
132R97.8Very high96.6Very high14 Ų1448.3 Ų48.35%0.05325%0.247CC..EExtended strand (participates in β ladder)trans-125.4134.8172.6-73.7-177.3169.7174.51.3109.3M10 S12 S13 F16 L121 Y134M10-R132 HydrophobicContact SD-CB 4.37Å; M10-R132 VanDerWaalsContact SD-CD 3.58Å; M10-R132 HydrophobicContact SD-CG 3.94Å; S12-R132 VanDerWaalsContact O-CA 3.32Å; S12-R132 WeakPolarHBondContact O-CA 3.23Å; S13-R132 WeakPolarHBondContact OG-CG 3.4Å; S13-R132 PolarHBondContact OG-NE 3.35Å; S13-R132 VanDerWaalsContact OG-NE 3.09Å; F16-R132 VanDerWaalsContact CE2-NH2 3.35Å; F16-R132 VanDerWaalsContact CG-NH2 3.29Å; F16-R132 VanDerWaalsContact CZ-NH2 3.29Å; L121-R132 HydrophobicContact CB-CB 4.26Å; L121-R132 PolarHBondContact N-O 3.15Å; L121-R132 PolarHBondContact O-N 3.48Å; R132-Y134 HydrophobicContact CB-CD2 4.29Å; R132-Y134 HydrophobicContact CB-CE2 3.54Å
133I97.7Very high96.5Very high30 Ų3050 Ų5015%0.15425%0.254CS..EExtended strand (participates in β ladder)trans-112.1130.9176.8-52.5176.6000108.6R11 S12 E118 T131R11-I133 PolarHBondContact N-O 3.36Å; R11-I133 VanDerWaalsContact NH2-CG2 3.34Å; S12-I133 PolarHBondContact N-O 3.12Å; S12-I133 PolarHBondContact O-N 3.34Å; S12-I133 WeakPolarHBondContact OG-CB 3.39Å; E118-I133 HydrophobicContact CB-CG2 4Å; E118-I133 HydrophobicContact CG-CG2 4.24Å; E118-I133 VanDerWaalsContact OE2-CG2 3.26Å; E118-I133 WeakPolarHBondContact OE2-CG2 3.45Å; T131-I133 HydrophobicContact CG2-CG1 4.49Å
134Y97.6Very high96.4Very high3 Ų351.6 Ų51.61%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-117.9147.3177.5-62.6-107.2000110.2W8 K9 M10 P40 V42 E118 L119 L121 R132W8-Y134 HydrophobicContact CB-CD1 4.15Å; W8-Y134 HydrophobicContact CB-CG 4.41Å; K9-Y134 CarbonylContact O-C 3.58Å; K9-Y134 VanDerWaalsContact O-CA 3.24Å; K9-Y134 WeakPolarHBondContact O-CA 3.29Å; M10-Y134 HydrophobicContact CB-CD1 3.9Å; M10-Y134 HydrophobicContact CB-CE1 3.66Å; M10-Y134 HydrophobicContact CG-CE1 4.16Å; M10-Y134 HydrophobicContact CG-CE2 4.45Å; P40-Y134 HydrophobicContact CG-CE1 3.92Å; P40-Y134 WeakPolarHBondContact CG-OH 3.26Å; V42-Y134 HydrophobicContact CB-CE1 4.34Å; V42-Y134 HydrophobicContact CG2-CD1 4.22Å; V42-Y134 HydrophobicContact CG2-CE1 3.55Å; E118-Y134 WeakPolarHBondContact CA-O 3.32Å; L119-Y134 PolarHBondContact N-O 3.37Å; L119-Y134 PolarHBondContact O-N 2.78Å; L121-Y134 HydrophobicContact CB-CD2 4.32Å; L121-Y134 HydrophobicContact CB-CE2 3.92Å; L121-Y134 HydrophobicContact CD2-CE2 3.75Å; R132-Y134 HydrophobicContact CB-CD2 4.29Å; R132-Y134 HydrophobicContact CB-CE2 3.54Å
135V96.2Very high96.3Very high38 Ų3855.4 Ų55.423%0.2328%0.281CS..EExtended strand (participates in β ladder)trans-116.5150.7170.5-64.90000108.5W8 K9 R11 E118 E137W8-V135 WeakPolarHBondContact CA-O 3.46Å; K9-V135 HydrophobicContact CD-CG2 4.18Å; K9-V135 VanDerWaalsContact CE-CG2 3.47Å; K9-V135 HydrophobicContact CG-CG2 3.6Å; K9-V135 PolarHBondContact N-O 3.16Å; K9-V135 PolarHBondContact O-N 3.25Å; R11-V135 HydrophobicContact CB-CG1 4.42Å; E118-V135 HydrophobicContact CG-CG1 4.34Å; V135-E137 PolarHBondContact O-N 3.2Å
136R94.8Very high96.3Very high114 Ų11460 Ų6043%0.4331%0.305SS..EExtended strand (participates in β ladder)trans-60.3138.5175.8-161.7172.7-71.4-87.62.6109.5A5 T7 W8A5-R136 PolarHBondContact O-NH1 2.89Å; T7-R136 WeakPolarHBondContact O-CA 3.33Å; W8-R136 HydrophobicContact CE3-CB 4.32Å; W8-R136 VanDerWaalsContact CZ2-NH2 3.33Å; W8-R136 HydrophobicContact CZ3-CB 4.15Å
137E89.4Confident96.5Very high152 Ų15257 Ų5771%0.7129%0.287SS*.  trans-740174.9-172.2163.4-16900112T7 H41 V135T7-E137 HydrophobicContact CG2-CB 4.03Å; T7-E137 WeakPolarHBondContact CG2-OE2 3.46Å; T7-E137 PolarHBondContact O-N 3Å; H41-E137 IonicContact CE1-OE2 2.79Å; H41-E137 PolarHBondContact CE1-OE2 2.86Å; H41-E137 IonicContact ND1-OE2 3.78Å; H41-E137 PolarHBondContact ND1-OE2 2.91Å; V135-E137 PolarHBondContact O-N 3.2Å

Retrieved 137 of 137 residues in 600.9 ms (Link to these results)

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