A0A077Z7F1_TRITR Loading...

Xenopus pseudohsp30B heat shock protein (PS43H)

AlphaFold DB , UniProt , Accession A0A077Z7F1, Species TRITR (Trichuris trichiura, Whipworm), 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
1M39.6Very low42.9Very low243 Ų243148.4 Ų148.4100%1.19775%0.745SS**  092.70-70.6-169.5-169.600108.4K3M1-K3 PolarHBondContact O-N 2.9Å
2S38.5Very low45.1Very low110 Ų110145 Ų14577%0.76972%0.718SS**  trans-80.2103179.5-46.10000108D4S2-D4 VanDerWaalsContact C-N 3.3Å; S2-D4 PolarHBondContact O-N 2.81Å; S2-D4 VanDerWaalsContact O-N 3.08Å
3K42.9Very low47.3Very low194 Ų194138.2 Ų138.284%0.84368%0.68SS**  trans-70.995.2163-76.5-179.2177.5177.70105.9M1 K5M1-K3 PolarHBondContact O-N 2.9Å; K3-K5 PolarHBondContact O-N 2.83Å
4D45.4Very low49.9Very low145 Ų145140.1 Ų140.178%0.77568%0.676SS**  trans-60.289.3165.8-70.6-41.1000107.9S2 L6S2-D4 VanDerWaalsContact C-N 3.3Å; S2-D4 PolarHBondContact O-N 2.81Å; S2-D4 VanDerWaalsContact O-N 3.08Å; D4-L6 VanDerWaalsContact C-N 3.3Å; D4-L6 PolarHBondContact O-N 2.74Å
5K38.4Very low52.3Low194 Ų194133.6 Ų133.684%0.84365%0.648SS**  trans-69.394.8164.9-82.5-177171.4-1770106K3 K7K3-K5 PolarHBondContact O-N 2.83Å; K5-K7 PolarHBondContact O-N 2.77Å; K5-K7 VanDerWaalsContact O-N 3.1Å
6L39.9Very low54.6Low146 Ų146128.6 Ų128.676%0.76463%0.628SS**  trans-58.1112.9162.2-79157.1000107.3D4 L8D4-L6 VanDerWaalsContact C-N 3.3Å; D4-L6 PolarHBondContact O-N 2.74Å; L6-L8 PolarHBondContact O-N 3.26Å
7K37.4Very low56.5Low156 Ų156126.1 Ų126.168%0.67862%0.618SS**  trans-62.1102.2170.3-138.6-174.7-179.1-148.50106.4K5 E9K5-K7 PolarHBondContact O-N 2.77Å; K5-K7 VanDerWaalsContact O-N 3.1Å; K7-E9 HydrophobicContact CD-CG 4.31Å; K7-E9 WeakPolarHBondContact CE-OE1 3.5Å; K7-E9 HydrophobicContact CG-CG 4.24Å; K7-E9 IonicContact NZ-OE1 3.6Å; K7-E9 PolarHBondContact NZ-OE1 2.82Å; K7-E9 IonicContact NZ-OE2 2.7Å; K7-E9 PolarHBondContact NZ-OE2 2.89Å; K7-E9 PolarHBondContact O-N 3.08Å
8L41.1Very low58.3Low108 Ų108123.3 Ų123.357%0.56561%0.605SS**  trans-7775.6168.4-83122.2000107.6L6 T11 Y13L6-L8 PolarHBondContact O-N 3.26Å; L8-T11 WeakPolarHBondContact CA-OG1 3.26Å; L8-T11 WeakPolarHBondContact CD2-OG1 3.37Å; L8-Y13 VanDerWaalsContact CD2-O 3.29Å; L8-Y13 WeakPolarHBondContact CD2-O 3.31Å
9E39.7Very low59.8Low127 Ų127118.8 Ų118.859%0.59359%0.587SS**SBendtrans-89.9114.1161.3-73.1177.7163.700105.6K7 T11K7-E9 HydrophobicContact CD-CG 4.31Å; K7-E9 WeakPolarHBondContact CE-OE1 3.5Å; K7-E9 HydrophobicContact CG-CG 4.24Å; K7-E9 IonicContact NZ-OE1 3.6Å; K7-E9 PolarHBondContact NZ-OE1 2.82Å; K7-E9 IonicContact NZ-OE2 2.7Å; K7-E9 PolarHBondContact NZ-OE2 2.89Å; K7-E9 PolarHBondContact O-N 3.08Å; E9-T11 VanDerWaalsContact C-N 3.32Å; E9-T11 PolarHBondContact O-N 2.96Å; E9-T11 VanDerWaalsContact O-N 3.11Å
10D52.2Low61.2Low155 Ų155116.8 Ų116.883%0.82958%0.579SS**SBendtrans48.238.7175.9-57.7-28.9000117.3
11T56.5Low62.4Low54 Ų54116.6 Ų116.633%0.33159%0.589SS.*  trans-96112.9176.814.30000110.5L8 E9 Y13L8-T11 WeakPolarHBondContact CA-OG1 3.26Å; L8-T11 WeakPolarHBondContact CD2-OG1 3.37Å; E9-T11 VanDerWaalsContact C-N 3.32Å; E9-T11 PolarHBondContact O-N 2.96Å; E9-T11 VanDerWaalsContact O-N 3.11Å; T11-Y13 HydrophobicContact CG2-CD1 3.97Å; T11-Y13 HydrophobicContact CG2-CE1 3.45Å; T11-Y13 VanDerWaalsContact CG2-CE1 3.45Å; T11-Y13 PolarHBondContact O-N 3.08Å
12Y69.2Low64.8Low108 Ų108112.1 Ų112.142%0.42456%0.563SS.*SBendtrans-61.716.2174-66.4-75.5000114.7V31 H61Y12-V31 WeakPolarHBondContact CB-O 3.46Å; Y12-V31 PolarHBondContact O-N 2.94Å; Y12-H61 AromaticContact CD1-ND1 3.78Å; Y12-H61 AromaticContact CE1-CE1 3.37Å; Y12-H61 WeakPolarHBondContact CE1-CE1 3.47Å; Y12-H61 AromaticContact CE1-ND1 3.15Å; Y12-H61 WeakPolarHBondContact CE1-ND1 3.4Å; Y12-H61 AromaticContact CE2-ND1 3.62Å; Y12-H61 AromaticContact CZ-CE1 3.41Å; Y12-H61 VanDerWaalsContact CZ-CE1 3.41Å; Y12-H61 AromaticContact CZ-ND1 3.07Å; Y12-H61 PolarHBondContact OH-CE1 2.76Å; Y12-H61 PolarHBondContact OH-ND1 3.48Å
13Y74.7Confident67.3Low56 Ų56110.3 Ų110.322%0.2254%0.541CS..EExtended strand (participates in β ladder)trans-152.6153.3-175.772-88.3000114.1L8 T11 V15 I28 V29 M63 F65L8-Y13 VanDerWaalsContact CD2-O 3.29Å; L8-Y13 WeakPolarHBondContact CD2-O 3.31Å; T11-Y13 HydrophobicContact CG2-CD1 3.97Å; T11-Y13 HydrophobicContact CG2-CE1 3.45Å; T11-Y13 VanDerWaalsContact CG2-CE1 3.45Å; T11-Y13 PolarHBondContact O-N 3.08Å; Y13-V15 HydrophobicContact CD2-CG2 3.63Å; Y13-V15 HydrophobicContact CE2-CG2 3.62Å; Y13-I28 HydrophobicContact CD2-CG2 4.08Å; Y13-I28 HydrophobicContact CG-CG2 4.49Å; Y13-V29 CarbonylContact C-O 3.55Å; Y13-V29 WeakPolarHBondContact CA-O 3.4Å; Y13-V29 WeakPolarHBondContact CB-O 3.45Å; Y13-M63 HydrophobicContact CD1-CE 3.37Å; Y13-M63 HydrophobicContact CD1-CG 3.43Å; Y13-M63 VanDerWaalsContact CD1-CG 3.43Å; Y13-M63 HydrophobicContact CD1-SD 4.29Å; Y13-M63 HydrophobicContact CD2-CE 3.46Å; Y13-M63 VanDerWaalsContact CD2-CE 3.46Å; Y13-M63 HydrophobicContact CE1-CE 3.72Å; Y13-M63 HydrophobicContact CE1-CG 3.85Å; Y13-M63 HydrophobicContact CE2-CE 3.83Å; Y13-M63 HydrophobicContact CG-CE 3.22Å; Y13-M63 HydrophobicContact CG-CG 4.14Å; Y13-F65 HydrophobicContact CE2-CB 4.27Å; Y13-F65 AromaticContact CE2-CD2 3.83Å; Y13-F65 HydrophobicContact CE2-CD2 3.83Å; Y13-F65 HydrophobicContact CE2-CG 4.44Å
14R83.2Confident69.6Low166 Ų166101.5 Ų101.563%0.62650%0.503SS*.EExtended strand (participates in β ladder)trans-128.3123.5173.7-178.8179.7175.4-177.3-0.2110.2I28 V29R14-I28 CarbonylContact O-C 3.5Å; R14-I28 WeakPolarHBondContact O-CA 3.43Å; R14-V29 HydrophobicContact CB-CB 4.37Å; R14-V29 PolarHBondContact N-O 2.66Å; R14-V29 PolarHBondContact O-N 3.34Å
15V85.8Confident71.9Confident42 Ų4297.6 Ų97.626%0.25548%0.477SS..EExtended strand (participates in β ladder)trans-99.7129.6177.2-170.90000110.3Y13 S27 I28 F65Y13-V15 HydrophobicContact CD2-CG2 3.63Å; Y13-V15 HydrophobicContact CE2-CG2 3.62Å; V15-S27 CarbonylContact C-O 3.57Å; V15-S27 VanDerWaalsContact CA-O 3.31Å; V15-S27 WeakPolarHBondContact CA-O 3.5Å; V15-I28 HydrophobicContact CG1-CG1 4.31Å; V15-I28 HydrophobicContact CG2-CG1 4.2Å; V15-I28 HydrophobicContact CG2-CG2 4.16Å; V15-F65 HydrophobicContact CB-CE2 4.44Å; V15-F65 HydrophobicContact CG1-CE2 4.25Å; V15-F65 HydrophobicContact CG1-CZ 4.11Å; V15-F65 HydrophobicContact CG2-CD2 3.85Å; V15-F65 HydrophobicContact CG2-CE2 3.61Å; V15-F65 HydrophobicContact CG2-CZ 4.16Å
16T88.8Confident74.5Confident54 Ų5488.3 Ų88.333%0.33144%0.437SS..EExtended strand (participates in β ladder)trans-124.3129.8174.2-50.40000109.4I18 I26 S27T16-I18 HydrophobicContact CG2-CG2 3.87Å; T16-I26 WeakPolarHBondContact O-CA 3.48Å; T16-S27 PolarHBondContact N-O 2.99Å; T16-S27 PolarHBondContact O-N 3.26Å
17N87.3Confident77Confident85 Ų8581.6 Ų81.646%0.45540%0.402SS..EExtended strand (participates in β ladder)trans-86.7123.1169.6-174-12.7000108.8S19 R25N17-S19 VanDerWaalsContact OD1-CB 3.26Å; N17-S19 WeakPolarHBondContact OD1-CB 3.22Å; N17-S19 PolarHBondContact OD1-N 2.96Å; N17-S19 PolarHBondContact OD1-OG 3.34Å; N17-R25 PolarHBondContact OD1-O 2.94Å
18I88.2Confident79.6Confident77 Ų7774.1 Ų74.140%0.39537%0.369SS..  trans-129.931.4-179.754171.2000110.5T16 R25T16-I18 HydrophobicContact CG2-CG2 3.87Å; I18-R25 HydrophobicContact CD1-CG 3.7Å; I18-R25 HydrophobicContact CG1-CB 3.98Å; I18-R25 HydrophobicContact CG1-CG 3.54Å; I18-R25 PolarHBondContact N-O 3Å
19S86.8Confident81.9Confident38 Ų3870.8 Ų70.827%0.26635%0.353SS..  trans-64.1147.7176.6-54.50000110.9N17 F23 W24 R25N17-S19 VanDerWaalsContact OD1-CB 3.26Å; N17-S19 WeakPolarHBondContact OD1-CB 3.22Å; N17-S19 PolarHBondContact OD1-N 2.96Å; N17-S19 PolarHBondContact OD1-OG 3.34Å; S19-F23 WeakPolarHBondContact CA-O 3.27Å; S19-F23 WeakPolarHBondContact CB-O 3.28Å; S19-W24 WeakPolarHBondContact OG-CA 3.08Å; S19-R25 PolarHBondContact N-O 2.68Å; S19-R25 PolarHBondContact OG-N 3.1Å; S19-R25 PolarHBondContact OG-O 3.03Å
20D89.1Confident84.1Confident78 Ų7864.8 Ų64.842%0.41733%0.325SS..  trans-119.5-161.1173.66439.1000110.6K22 F23 F95D20-K22 VanDerWaalsContact C-N 3.33Å; D20-K22 WeakPolarHBondContact OD1-CA 3.21Å; D20-K22 PolarHBondContact OD1-N 2.93Å; D20-F23 PolarHBondContact N-O 3.02Å; D20-F23 PolarHBondContact OD1-N 2.97Å; D20-F95 VanDerWaalsContact O-CE2 3.31Å; D20-F95 WeakPolarHBondContact O-CE2 3.49Å
21S86.7Confident85.6Confident113 Ų11360.8 Ų60.879%0.7931%0.306SS*.SBendtrans-77.1-16179.856.50000114.4
22K88.7Confident86.8Confident148 Ų14860.5 Ų60.564%0.64331%0.306SS*.SBendtrans-108.4-36.9-176.7-65-176.9179.7-177.10112.1D20 P94 F95D20-K22 VanDerWaalsContact C-N 3.33Å; D20-K22 WeakPolarHBondContact OD1-CA 3.21Å; D20-K22 PolarHBondContact OD1-N 2.93Å; K22-P94 WeakPolarHBondContact O-CA 3.47Å; K22-F95 WeakPolarHBondContact O-CD2 3.23Å; K22-F95 PolarHBondContact O-N 2.79Å
23F90.6Very high87.5Confident73 Ų7355.4 Ų55.432%0.3229%0.286SS..EExtended strand (participates in β ladder)trans-123.1134.3-173.4-65.2-84.6000111.8S19 D20 A93 P94 F95S19-F23 WeakPolarHBondContact CA-O 3.27Å; S19-F23 WeakPolarHBondContact CB-O 3.28Å; D20-F23 PolarHBondContact N-O 3.02Å; D20-F23 PolarHBondContact OD1-N 2.97Å; F23-A93 WeakPolarHBondContact CA-O 3.38Å; F23-P94 HydrophobicContact CD1-CB 4.1Å; F23-P94 HydrophobicContact CE1-CB 3.97Å; F23-F95 WeakPolarHBondContact O-CE2 3.39Å
24W92.1Very high88Confident9 Ų957.2 Ų57.23%0.03430%0.299CS..EExtended strand (participates in β ladder)trans-80.2124.5157.7-178.782.3000108.5S19 I26 L47 L69 V73 L78 I91 E92 A93 F95S19-W24 WeakPolarHBondContact OG-CA 3.08Å; W24-I26 HydrophobicContact CH2-CB 4.42Å; W24-I26 HydrophobicContact CH2-CD1 3.71Å; W24-I26 HydrophobicContact CH2-CG1 3.73Å; W24-I26 HydrophobicContact CH2-CG2 3.89Å; W24-I26 HydrophobicContact CZ2-CD1 4.26Å; W24-I26 HydrophobicContact CZ2-CG1 4.29Å; W24-I26 HydrophobicContact CZ2-CG2 3.54Å; W24-I26 HydrophobicContact CZ3-CG1 4.19Å; W24-L47 HydrophobicContact CH2-CD2 3.7Å; W24-L47 HydrophobicContact CZ3-CD2 4.27Å; W24-L69 HydrophobicContact CE3-CD2 4.46Å; W24-L69 HydrophobicContact CH2-CD2 3.66Å; W24-L69 HydrophobicContact CZ2-CD2 4.22Å; W24-L69 HydrophobicContact CZ3-CD2 3.79Å; W24-V73 HydrophobicContact CB-CG2 3.3Å; W24-V73 HydrophobicContact CD2-CG2 4.03Å; W24-V73 HydrophobicContact CE3-CG2 4.49Å; W24-V73 HydrophobicContact CG-CG2 3.51Å; W24-L78 HydrophobicContact CZ3-CD1 4.48Å; W24-I91 HydrophobicContact CZ3-CG2 4.09Å; W24-E92 CarbonylContact O-C 3.44Å; W24-E92 WeakPolarHBondContact O-CA 3.46Å; W24-A93 PolarHBondContact N-O 2.99Å; W24-A93 PolarHBondContact O-N 2.72Å; W24-F95 HydrophobicContact CB-CD1 4.47Å; W24-F95 HydrophobicContact CB-CE1 3.79Å; W24-F95 HydrophobicContact CB-CE2 4.35Å; W24-F95 HydrophobicContact CB-CZ 3.71Å; W24-F95 HydrophobicContact CG-CE1 4.48Å; W24-F95 HydrophobicContact CG-CZ 4.49Å
25R92.9Very high88.2Confident62 Ų6251.6 Ų51.623%0.23429%0.288CS..EExtended strand (participates in β ladder)trans-140.7129.5-178.9-175.1-176.9-73.7147.8-5.5111.1N17 I18 S19 V90 I91 E92N17-R25 PolarHBondContact OD1-O 2.94Å; I18-R25 HydrophobicContact CD1-CG 3.7Å; I18-R25 HydrophobicContact CG1-CB 3.98Å; I18-R25 HydrophobicContact CG1-CG 3.54Å; I18-R25 PolarHBondContact N-O 3Å; S19-R25 PolarHBondContact N-O 2.68Å; S19-R25 PolarHBondContact OG-N 3.1Å; S19-R25 PolarHBondContact OG-O 3.03Å; R25-V90 HydrophobicContact CG-CG1 3.79Å; R25-I91 WeakPolarHBondContact CA-O 3.42Å; R25-E92 HydrophobicContact CB-CB 4.09Å; R25-E92 HydrophobicContact CG-CB 4Å; R25-E92 IonicContact CZ-OE2 3Å; R25-E92 IonicContact NE-OE2 3.81Å; R25-E92 PolarHBondContact NE-OE2 2.97Å; R25-E92 IonicContact NH2-OE1 2.79Å; R25-E92 PolarHBondContact NH2-OE1 2.81Å; R25-E92 IonicContact NH2-OE2 2.68Å; R25-E92 PolarHBondContact NH2-OE2 3.43Å
26I92.6Very high88.3Confident0 Ų053.7 Ų53.70%030%0.303CS..EExtended strand (participates in β ladder)trans-120.3146.1167.564.3167.8000110.1T16 W24 I28 L47 F65 I91T16-I26 WeakPolarHBondContact O-CA 3.48Å; W24-I26 HydrophobicContact CH2-CB 4.42Å; W24-I26 HydrophobicContact CH2-CD1 3.71Å; W24-I26 HydrophobicContact CH2-CG1 3.73Å; W24-I26 HydrophobicContact CH2-CG2 3.89Å; W24-I26 HydrophobicContact CZ2-CD1 4.26Å; W24-I26 HydrophobicContact CZ2-CG1 4.29Å; W24-I26 HydrophobicContact CZ2-CG2 3.54Å; W24-I26 HydrophobicContact CZ3-CG1 4.19Å; I26-I28 HydrophobicContact CD1-CD1 4.18Å; I26-I28 HydrophobicContact CD1-CG1 4.41Å; I26-L47 HydrophobicContact CD1-CD2 3.58Å; I26-F65 HydrophobicContact CD1-CE1 3.9Å; I26-F65 HydrophobicContact CD1-CZ 4.24Å; I26-I91 HydrophobicContact CD1-CB 4.45Å; I26-I91 HydrophobicContact CD1-CD1 4.3Å; I26-I91 HydrophobicContact CG1-CB 3.89Å; I26-I91 PolarHBondContact N-O 2.81Å; I26-I91 PolarHBondContact O-N 3.42Å
27S92.5Very high88.2Confident4 Ų452 Ų523%0.02829%0.292CS..EExtended strand (participates in β ladder)trans-119.1130.5174.8170.20000108.6V15 T16 R88 L89V15-S27 CarbonylContact C-O 3.57Å; V15-S27 VanDerWaalsContact CA-O 3.31Å; V15-S27 WeakPolarHBondContact CA-O 3.5Å; T16-S27 PolarHBondContact N-O 2.99Å; T16-S27 PolarHBondContact O-N 3.26Å; S27-R88 WeakPolarHBondContact OG-CD 3.21Å; S27-R88 WeakPolarHBondContact OG-CG 3.41Å; S27-R88 PolarHBondContact OG-NE 2.92Å; S27-L89 CarbonylContact C-O 3.57Å; S27-L89 WeakPolarHBondContact CA-O 3.43Å
28I91.8Very high88.3Confident0 Ų048.6 Ų48.60%027%0.274CS..EExtended strand (participates in β ladder)trans-123.4110.7178.9-46.6-178.8000107.7Y13 R14 V15 I26 L30 V49 M63 F65 R88 L89 I91Y13-I28 HydrophobicContact CD2-CG2 4.08Å; Y13-I28 HydrophobicContact CG-CG2 4.49Å; R14-I28 CarbonylContact O-C 3.5Å; R14-I28 WeakPolarHBondContact O-CA 3.43Å; V15-I28 HydrophobicContact CG1-CG1 4.31Å; V15-I28 HydrophobicContact CG2-CG1 4.2Å; V15-I28 HydrophobicContact CG2-CG2 4.16Å; I26-I28 HydrophobicContact CD1-CD1 4.18Å; I26-I28 HydrophobicContact CD1-CG1 4.41Å; I28-L30 HydrophobicContact CB-CG 4.38Å; I28-L30 HydrophobicContact CG2-CD1 4.43Å; I28-L30 HydrophobicContact CG2-CD2 3.54Å; I28-L30 HydrophobicContact CG2-CG 3.79Å; I28-V49 HydrophobicContact CD1-CB 4.36Å; I28-V49 HydrophobicContact CD1-CG1 4.49Å; I28-V49 HydrophobicContact CD1-CG2 3.89Å; I28-M63 HydrophobicContact CG2-CE 4.04Å; I28-F65 HydrophobicContact CD1-CD1 3.59Å; I28-F65 HydrophobicContact CD1-CE1 3.74Å; I28-F65 HydrophobicContact CD1-CG 4.2Å; I28-F65 HydrophobicContact CD1-CZ 4.45Å; I28-R88 CarbonylContact O-C 3.56Å; I28-R88 WeakPolarHBondContact O-CA 3.41Å; I28-L89 HydrophobicContact CB-CB 4.46Å; I28-L89 PolarHBondContact N-O 3.01Å; I28-L89 PolarHBondContact O-N 3.09Å; I28-I91 HydrophobicContact CD1-CD1 4.32Å
29V90.9Very high88.5Confident38 Ų3852 Ų5223%0.2328%0.282CS..EExtended strand (participates in β ladder)trans-75.9128.2167.6178.70000107.3Y13 R14 V31 N87Y13-V29 CarbonylContact C-O 3.55Å; Y13-V29 WeakPolarHBondContact CA-O 3.4Å; Y13-V29 WeakPolarHBondContact CB-O 3.45Å; R14-V29 HydrophobicContact CB-CB 4.37Å; R14-V29 PolarHBondContact N-O 2.66Å; R14-V29 PolarHBondContact O-N 3.34Å; V29-V31 HydrophobicContact CG1-CG2 4.06Å; V29-N87 CarbonylContact C-O 3.6Å; V29-N87 WeakPolarHBondContact CA-O 3.33Å
30L86.2Confident88.8Confident0 Ų052.3 Ų52.30%028%0.282CS..EExtended strand (participates in β ladder)trans-129.187.6-172-67.5172.9000109.4I28 F33 I38 V49 M63 W82 N87 L89I28-L30 HydrophobicContact CB-CG 4.38Å; I28-L30 HydrophobicContact CG2-CD1 4.43Å; I28-L30 HydrophobicContact CG2-CD2 3.54Å; I28-L30 HydrophobicContact CG2-CG 3.79Å; L30-F33 HydrophobicContact CB-CB 4.19Å; L30-F33 HydrophobicContact CB-CD2 4.07Å; L30-F33 PolarHBondContact O-N 2.78Å; L30-F33 VanDerWaalsContact O-N 3.12Å; L30-I38 HydrophobicContact CB-CD1 4.35Å; L30-I38 HydrophobicContact CD1-CD1 3.44Å; L30-I38 VanDerWaalsContact CD1-CD1 3.44Å; L30-I38 HydrophobicContact CD1-CG1 3.87Å; L30-I38 HydrophobicContact CD1-CG2 4.25Å; L30-V49 HydrophobicContact CD1-CG1 4.37Å; L30-M63 HydrophobicContact CD2-CE 3.36Å; L30-M63 HydrophobicContact CD2-CG 4.3Å; L30-M63 HydrophobicContact CD2-SD 3.79Å; L30-W82 HydrophobicContact CB-CH2 4.27Å; L30-W82 HydrophobicContact CB-CZ3 4.2Å; L30-W82 HydrophobicContact CD1-CZ3 4.23Å; L30-N87 PolarHBondContact N-O 3.16Å; L30-L89 HydrophobicContact CD1-CB 3.76Å; L30-L89 HydrophobicContact CD1-CD2 4.04Å
31V83.2Confident89.1Confident71 Ų7152.8 Ų52.843%0.4328%0.282SS..THydrogen-bonded Turntrans-113.6127.9179.5178.10000108Y12 V29 N87Y12-V31 WeakPolarHBondContact CB-O 3.46Å; Y12-V31 PolarHBondContact O-N 2.94Å; V29-V31 HydrophobicContact CG1-CG2 4.06Å; V31-N87 HydrophobicContact CG2-CB 3.75Å
32P81.3Confident89.3Confident49 Ų4950.2 Ų50.232%0.31826%0.261SS..THydrogen-bonded Turncis-102.843.413.340.8-36.8000113.9H61P32-H61 HydrophobicContact CG-CB 4.39Å
33F84.5Confident89.4Confident1 Ų148.6 Ų48.60%0.00426%0.256CS..  trans-91.1139.1-172.9-57.7-77.3000112.6L30 D37 I38 A51 Q53 H61 M63 W82L30-F33 HydrophobicContact CB-CB 4.19Å; L30-F33 HydrophobicContact CB-CD2 4.07Å; L30-F33 PolarHBondContact O-N 2.78Å; L30-F33 VanDerWaalsContact O-N 3.12Å; F33-D37 HydrophobicContact CD1-CB 4.47Å; F33-I38 HydrophobicContact CB-CD1 4.37Å; F33-I38 HydrophobicContact CB-CG1 4.28Å; F33-A51 HydrophobicContact CB-CB 4.01Å; F33-A51 HydrophobicContact CD1-CB 3.42Å; F33-A51 VanDerWaalsContact CD1-CB 3.42Å; F33-A51 HydrophobicContact CD2-CB 3.85Å; F33-A51 HydrophobicContact CE1-CB 3.73Å; F33-A51 HydrophobicContact CE2-CB 4.14Å; F33-A51 HydrophobicContact CG-CB 3.47Å; F33-A51 VanDerWaalsContact CG-CB 3.47Å; F33-A51 HydrophobicContact CZ-CB 4.09Å; F33-Q53 HydrophobicContact CD1-CB 4.26Å; F33-Q53 HydrophobicContact CE1-CB 4.26Å; F33-H61 HydrophobicContact CE1-CB 3.97Å; F33-H61 WeakPolarHBondContact CE1-O 3.29Å; F33-H61 HydrophobicContact CZ-CB 3.95Å; F33-M63 HydrophobicContact CE2-CB 3.62Å; F33-M63 HydrophobicContact CE2-CG 4.38Å; F33-M63 HydrophobicContact CZ-CB 3.59Å; F33-W82 WeakPolarHBondContact O-CH2 3.3Å
34D84.3Confident89.3Confident93 Ų9348.1 Ų48.150%0.49727%0.272SS..  trans-93162.4169.7-76.2-45.8000111.8C36 D37 I38D34-C36 PolarHBondContact O-N 2.78Å; D34-C36 VanDerWaalsContact O-N 3.09Å; D34-D37 PolarHBondContact N-OD2 2.86Å; D34-D37 WeakPolarHBondContact O-CB 3.31Å; D34-D37 PolarHBondContact O-N 3.32Å; D34-I38 WeakPolarHBondContact O-CD1 3.37Å; D34-I38 WeakPolarHBondContact O-CG1 3.21Å
35A87Confident89.2Confident49 Ų4950.1 Ų50.141%0.40529%0.291SS..G310 helixtrans-53.7-33.817900000113.4D37 I38 W82A35-D37 VanDerWaalsContact C-N 3.27Å; A35-D37 PolarHBondContact O-N 2.98Å; A35-I38 PolarHBondContact O-N 2.96Å; A35-W82 HydrophobicContact CB-CB 4.14Å; A35-W82 HydrophobicContact CB-CD2 4.17Å; A35-W82 HydrophobicContact CB-CG 3.76Å
36C87.9Confident89.1Confident85 Ų8553.5 Ų53.557%0.57430%0.303SS*.G310 helixtrans-68.4-26.5179.756.70000113.4D34 I38 R39D34-C36 PolarHBondContact O-N 2.78Å; D34-C36 VanDerWaalsContact O-N 3.09Å; C36-I38 VanDerWaalsContact C-N 3.32Å; C36-R39 PolarHBondContact O-NH1 2.9Å
37D87.4Confident89.1Confident18 Ų1853.5 Ų53.510%0.09630%0.303CS..G310 helixtrans-83.4-13.6-179-64.7-25.9000112.4F33 D34 A35 A51 K52 T54F33-D37 HydrophobicContact CD1-CB 4.47Å; D34-D37 PolarHBondContact N-OD2 2.86Å; D34-D37 WeakPolarHBondContact O-CB 3.31Å; D34-D37 PolarHBondContact O-N 3.32Å; A35-D37 VanDerWaalsContact C-N 3.27Å; A35-D37 PolarHBondContact O-N 2.98Å; D37-A51 VanDerWaalsContact O-CA 3.31Å; D37-A51 WeakPolarHBondContact O-CA 3.45Å; D37-K52 VanDerWaalsContact CB-O 3.23Å; D37-K52 WeakPolarHBondContact CB-O 3.22Å; D37-K52 PolarHBondContact O-N 2.79Å; D37-K52 VanDerWaalsContact O-N 3.1Å; D37-T54 PolarHBondContact OD1-OG1 2.82Å
38I90.2Very high89Confident15 Ų1554 Ų548%0.07731%0.305CS..EExtended strand (participates in β ladder)trans-95137.3-171.5-62.3162.2000110.6L30 F33 D34 A35 C36 V40 V49 K50 A51 W82 L89L30-I38 HydrophobicContact CB-CD1 4.35Å; L30-I38 HydrophobicContact CD1-CD1 3.44Å; L30-I38 VanDerWaalsContact CD1-CD1 3.44Å; L30-I38 HydrophobicContact CD1-CG1 3.87Å; L30-I38 HydrophobicContact CD1-CG2 4.25Å; F33-I38 HydrophobicContact CB-CD1 4.37Å; F33-I38 HydrophobicContact CB-CG1 4.28Å; D34-I38 WeakPolarHBondContact O-CD1 3.37Å; D34-I38 WeakPolarHBondContact O-CG1 3.21Å; A35-I38 PolarHBondContact O-N 2.96Å; C36-I38 VanDerWaalsContact C-N 3.32Å; I38-V40 HydrophobicContact CG2-CG2 4.29Å; I38-V49 HydrophobicContact CG2-CG1 4.22Å; I38-K50 CarbonylContact C-O 3.54Å; I38-K50 WeakPolarHBondContact CA-O 3.29Å; I38-A51 HydrophobicContact CG1-CB 3.91Å; I38-W82 HydrophobicContact CD1-CE3 3.72Å; I38-W82 HydrophobicContact CD1-CH2 3.84Å; I38-W82 HydrophobicContact CD1-CZ3 3.32Å; I38-L89 HydrophobicContact CG2-CD1 4.44Å; I38-L89 HydrophobicContact CG2-CD2 3.97Å
39R92.6Very high89.1Confident148 Ų14854 Ų5456%0.55831%0.305SS*.EExtended strand (participates in β ladder)trans-131.4124172.9-64.8-66.1-178.6-82.8-4109.2C36 V49 K50C36-R39 PolarHBondContact O-NH1 2.9Å; R39-V49 WeakPolarHBondContact O-CA 3.19Å; R39-K50 HydrophobicContact CB-CB 4.46Å; R39-K50 PolarHBondContact N-O 3.11Å; R39-K50 PolarHBondContact O-N 3.04Å
40V93.2Very high89.1Confident45 Ų4556.7 Ų56.727%0.27331%0.314SS..EExtended strand (participates in β ladder)trans-108.1129.9174.7-173.70000108.3I38 L47 I48 V49 A80 L89 I91I38-V40 HydrophobicContact CG2-CG2 4.29Å; V40-L47 HydrophobicContact CG1-CD1 3.74Å; V40-I48 WeakPolarHBondContact CA-O 3.03Å; V40-V49 HydrophobicContact CG1-CG2 4.33Å; V40-V49 HydrophobicContact CG2-CG2 4.29Å; V40-A80 HydrophobicContact CB-CB 4.29Å; V40-A80 HydrophobicContact CG1-CB 4.25Å; V40-A80 HydrophobicContact CG2-CB 4.04Å; V40-L89 HydrophobicContact CG2-CD1 4.16Å; V40-L89 HydrophobicContact CG2-CD2 3.67Å; V40-L89 HydrophobicContact CG2-CG 4.48Å; V40-I91 HydrophobicContact CG1-CD1 3.92Å; V40-I91 HydrophobicContact CG2-CD1 4.37Å
41Q93.6Very high89.2Confident88 Ų8856.8 Ų56.841%0.41132%0.315SS..EExtended strand (participates in β ladder)trans-138.1143.2-179.5-66.3-178.4-24.900109.9I48Q41-I48 PolarHBondContact N-O 3.24Å; Q41-I48 PolarHBondContact O-N 2.79Å
42V91.6Very high89.4Confident58 Ų5858 Ų5835%0.35231%0.314SS..EExtended strand (participates in β ladder)trans-111.1122.2169.1179.90000107.8R46 L47 L69 L78V42-R46 WeakPolarHBondContact CA-O 3.31Å; V42-L47 HydrophobicContact CG2-CD1 4.03Å; V42-L69 HydrophobicContact CG1-CD1 3.66Å; V42-L69 HydrophobicContact CG2-CD1 4.25Å; V42-L78 HydrophobicContact CG2-CD1 4.05Å; V42-L78 HydrophobicContact CG2-CD2 4.17Å
43Q91.2Very high89.3Confident114 Ų11457.3 Ų57.353%0.53331%0.307SS..EExtended strand (participates in β ladder)trans-120.2105.7176.4-66.9-175.8-4.400108.5A45 R46 I48Q43-A45 PolarHBondContact O-N 3.19Å; Q43-A45 VanDerWaalsContact O-N 3.16Å; Q43-R46 PolarHBondContact N-O 3.48Å; Q43-R46 WeakPolarHBondContact O-CB 3.25Å; Q43-R46 PolarHBondContact O-N 3.13Å; Q43-I48 HydrophobicContact CB-CD1 4.25Å; Q43-I48 HydrophobicContact CG-CD1 4.03Å
44G89.5Confident88.3Confident63 Ų6362.6 Ų62.665%0.64934%0.339SS*.THydrogen-bonded Turntrans60.6-116.4-172.200000111.4
45A88.5Confident87.2Confident52 Ų5259.8 Ų59.843%0.4333%0.327SS..THydrogen-bonded Turntrans-100.916.7177.200000113.2Q43 L69Q43-A45 PolarHBondContact O-N 3.19Å; Q43-A45 VanDerWaalsContact O-N 3.16Å; A45-L69 WeakPolarHBondContact O-CB 3.46Å; A45-L69 PolarHBondContact O-N 2.83Å
46R91.4Very high85.8Confident132 Ų13266.2 Ų66.250%0.49836%0.355SS..EExtended strand (participates in β ladder)trans-116.4125.7-175.5-174.5171.1-83.6-179.9-3.9110.9V42 Q43 I48 S66V42-R46 WeakPolarHBondContact CA-O 3.31Å; Q43-R46 PolarHBondContact N-O 3.48Å; Q43-R46 WeakPolarHBondContact O-CB 3.25Å; Q43-R46 PolarHBondContact O-N 3.13Å; R46-I48 HydrophobicContact CG-CG1 4.08Å; R46-S66 WeakPolarHBondContact CD-OG 3.41Å; R46-S66 VanDerWaalsContact CG-OG 3.27Å; R46-S66 WeakPolarHBondContact CG-OG 3.42Å
47L91.7Very high84.4Confident0 Ų069.1 Ų69.10%036%0.36CS..EExtended strand (participates in β ladder)trans-85.9132.8168.4-179.564.3000109.2W24 I26 V40 V42 S66 R67 L69 I91W24-L47 HydrophobicContact CH2-CD2 3.7Å; W24-L47 HydrophobicContact CZ3-CD2 4.27Å; I26-L47 HydrophobicContact CD1-CD2 3.58Å; V40-L47 HydrophobicContact CG1-CD1 3.74Å; V42-L47 HydrophobicContact CG2-CD1 4.03Å; L47-S66 VanDerWaalsContact O-CA 3.31Å; L47-S66 WeakPolarHBondContact O-CA 3.43Å; L47-S66 PolarHBondContact O-OG 3.28Å; L47-R67 PolarHBondContact N-O 2.82Å; L47-R67 PolarHBondContact O-N 2.79Å; L47-L69 HydrophobicContact CB-CD2 3.77Å; L47-L69 HydrophobicContact CB-CG 3.97Å; L47-L69 HydrophobicContact CD2-CD2 4.24Å; L47-I91 HydrophobicContact CD1-CD1 4.21Å; L47-I91 HydrophobicContact CD1-CG2 4.36Å; L47-I91 HydrophobicContact CD2-CD1 3.78Å; L47-I91 HydrophobicContact CD2-CG2 4.06Å; L47-I91 HydrophobicContact CG-CD1 4.36Å
48I92.2Very high83.2Confident14 Ų1473.9 Ų73.97%0.07239%0.394CS..EExtended strand (participates in β ladder)trans-129.2125179.7-53.9176.2000107.7V40 Q41 Q43 R46 K50 L64 F65V40-I48 WeakPolarHBondContact CA-O 3.03Å; Q41-I48 PolarHBondContact N-O 3.24Å; Q41-I48 PolarHBondContact O-N 2.79Å; Q43-I48 HydrophobicContact CB-CD1 4.25Å; Q43-I48 HydrophobicContact CG-CD1 4.03Å; R46-I48 HydrophobicContact CG-CG1 4.08Å; I48-K50 HydrophobicContact CG2-CG 4.03Å; I48-L64 HydrophobicContact CG2-CD1 3.76Å; I48-F65 CarbonylContact C-O 3.58Å; I48-F65 WeakPolarHBondContact CA-O 3.33Å
49V92.7Very high81.9Confident0 Ų078 Ų780%042%0.417CS..EExtended strand (participates in β ladder)trans-118120.6172.7-179.60000107.1I28 L30 I38 R39 V40 F65 L89 I91I28-V49 HydrophobicContact CD1-CB 4.36Å; I28-V49 HydrophobicContact CD1-CG1 4.49Å; I28-V49 HydrophobicContact CD1-CG2 3.89Å; L30-V49 HydrophobicContact CD1-CG1 4.37Å; I38-V49 HydrophobicContact CG2-CG1 4.22Å; R39-V49 WeakPolarHBondContact O-CA 3.19Å; V40-V49 HydrophobicContact CG1-CG2 4.33Å; V40-V49 HydrophobicContact CG2-CG2 4.29Å; V49-F65 HydrophobicContact CB-CB 4.22Å; V49-F65 HydrophobicContact CB-CD1 4.09Å; V49-F65 HydrophobicContact CG2-CD1 3.95Å; V49-F65 PolarHBondContact N-O 3.39Å; V49-F65 PolarHBondContact O-N 2.88Å; V49-L89 HydrophobicContact CG1-CD2 3.58Å; V49-L89 HydrophobicContact CG2-CD2 4.08Å; V49-I91 HydrophobicContact CG2-CD1 3.53Å
50K91.3Very high80.9Confident95 Ų9576.9 Ų76.941%0.41342%0.418SS..EExtended strand (participates in β ladder)trans-113.3134.9175.1-59-174.5-179.2176.70107.9I38 R39 I48 M63 L64I38-K50 CarbonylContact C-O 3.54Å; I38-K50 WeakPolarHBondContact CA-O 3.29Å; R39-K50 HydrophobicContact CB-CB 4.46Å; R39-K50 PolarHBondContact N-O 3.11Å; R39-K50 PolarHBondContact O-N 3.04Å; I48-K50 HydrophobicContact CG2-CG 4.03Å; K50-M63 CarbonylContact C-O 3.58Å; K50-M63 WeakPolarHBondContact CA-O 3.47Å; K50-L64 HydrophobicContact CD-CD1 4.28Å; K50-L64 HydrophobicContact CG-CD1 3.67Å
51A88.9Confident80.1Confident2 Ų276.3 Ų76.32%0.01741%0.412CS..EExtended strand (participates in β ladder)trans-128.9130.7166.400000108.7F33 D37 I38 Q62 M63F33-A51 HydrophobicContact CB-CB 4.01Å; F33-A51 HydrophobicContact CD1-CB 3.42Å; F33-A51 VanDerWaalsContact CD1-CB 3.42Å; F33-A51 HydrophobicContact CD2-CB 3.85Å; F33-A51 HydrophobicContact CE1-CB 3.73Å; F33-A51 HydrophobicContact CE2-CB 4.14Å; F33-A51 HydrophobicContact CG-CB 3.47Å; F33-A51 VanDerWaalsContact CG-CB 3.47Å; F33-A51 HydrophobicContact CZ-CB 4.09Å; D37-A51 VanDerWaalsContact O-CA 3.31Å; D37-A51 WeakPolarHBondContact O-CA 3.45Å; I38-A51 HydrophobicContact CG1-CB 3.91Å; A51-Q62 CarbonylContact O-C 3.52Å; A51-Q62 WeakPolarHBondContact O-CA 3.33Å; A51-M63 HydrophobicContact CB-CB 4.19Å; A51-M63 PolarHBondContact N-O 3Å; A51-M63 PolarHBondContact O-N 2.93Å
52K85.8Confident79.6Confident96 Ų9677.6 Ų77.642%0.41742%0.418SS..EExtended strand (participates in β ladder)trans-133.1114.2174.6173.3167.5-176.21710107.6D37 T54 E60 Q62D37-K52 VanDerWaalsContact CB-O 3.23Å; D37-K52 WeakPolarHBondContact CB-O 3.22Å; D37-K52 PolarHBondContact O-N 2.79Å; D37-K52 VanDerWaalsContact O-N 3.1Å; K52-T54 PolarHBondContact O-N 2.88Å; K52-E60 IonicContact NZ-OE2 3.41Å; K52-E60 PolarHBondContact NZ-OE2 2.7Å; K52-Q62 HydrophobicContact CB-CG 4.44Å; K52-Q62 HydrophobicContact CD-CG 4.32Å; K52-Q62 HydrophobicContact CG-CG 4.07Å
53Q79.4Confident79.2Confident35 Ų3575.5 Ų75.516%0.16440%0.404CS..  trans-69115.7177.4-16818011.400108.7F33 S55 H61F33-Q53 HydrophobicContact CD1-CB 4.26Å; F33-Q53 HydrophobicContact CE1-CB 4.26Å; Q53-S55 VanDerWaalsContact C-N 3.35Å; Q53-S55 PolarHBondContact O-N 2.81Å; Q53-H61 HydrophobicContact CB-CB 4.19Å; Q53-H61 PolarHBondContact N-O 3.4Å; Q53-H61 PolarHBondContact OE1-CD2 2.91Å
54T64.6Low79Confident113 Ų11375.2 Ų75.269%0.69341%0.406SS*.  trans-92.573.1169.553.90000108.5D37 K52D37-T54 PolarHBondContact OD1-OG1 2.82Å; K52-T54 PolarHBondContact O-N 2.88Å
55S61.3Low78.9Confident34 Ų3473.1 Ų73.124%0.23838%0.379CS..  trans-113.1144.2171.392.70000110.1Q53 Q57Q53-S55 VanDerWaalsContact C-N 3.35Å; Q53-S55 PolarHBondContact O-N 2.81Å; S55-Q57 PolarHBondContact O-N 2.84Å; S55-Q57 WeakPolarHBondContact OG-CB 3.5Å; S55-Q57 PolarHBondContact OG-N 3.43Å
56N58Low79Confident184 Ų18473.3 Ų73.398%0.98438%0.378SS*.SBendtrans-72.219.7173.9-65.9-22.7000112.6
57Q58.1Low78.9Confident146 Ų14671.9 Ų71.968%0.68237%0.372SS*.SBendtrans-95.7153.6179-55.2-168.76.900109.3S55 D59S55-Q57 PolarHBondContact O-N 2.84Å; S55-Q57 WeakPolarHBondContact OG-CB 3.5Å; S55-Q57 PolarHBondContact OG-N 3.43Å; Q57-D59 PolarHBondContact O-N 3.34Å
58S60.9Low78.9Confident117 Ų11777.2 Ų77.282%0.81840%0.397SS*.SBendtrans-57-18.9-173.5530000114.6
59D64.8Low78.7Confident103 Ų10377.1 Ų77.155%0.55140%0.396SS*.  trans-107.392.9-170.2-58.6-7.9000108.8Q57 H61Q57-D59 PolarHBondContact O-N 3.34Å; D59-H61 PolarHBondContact O-CD2 3.05Å; D59-H61 VanDerWaalsContact O-CD2 3.27Å; D59-H61 PolarHBondContact O-N 2.87Å
60E70.4Confident78.4Confident123 Ų12379.4 Ų79.458%0.57541%0.409SS*.  trans-73.7105.2171.3-75-162.8-169.900110.2K52 Q62K52-E60 IonicContact NZ-OE2 3.41Å; K52-E60 PolarHBondContact NZ-OE2 2.7Å; E60-Q62 PolarHBondContact OE2-NE2 2.79Å
61H76.3Confident78.2Confident33 Ų3380.5 Ų80.515%0.15343%0.426CS..  trans-85.5131.9171.6-65.1-84.9000111.1Y12 P32 F33 Q53 D59Y12-H61 AromaticContact CD1-ND1 3.78Å; Y12-H61 AromaticContact CE1-CE1 3.37Å; Y12-H61 WeakPolarHBondContact CE1-CE1 3.47Å; Y12-H61 AromaticContact CE1-ND1 3.15Å; Y12-H61 WeakPolarHBondContact CE1-ND1 3.4Å; Y12-H61 AromaticContact CE2-ND1 3.62Å; Y12-H61 AromaticContact CZ-CE1 3.41Å; Y12-H61 VanDerWaalsContact CZ-CE1 3.41Å; Y12-H61 AromaticContact CZ-ND1 3.07Å; Y12-H61 PolarHBondContact OH-CE1 2.76Å; Y12-H61 PolarHBondContact OH-ND1 3.48Å; P32-H61 HydrophobicContact CG-CB 4.39Å; F33-H61 HydrophobicContact CE1-CB 3.97Å; F33-H61 WeakPolarHBondContact CE1-O 3.29Å; F33-H61 HydrophobicContact CZ-CB 3.95Å; Q53-H61 HydrophobicContact CB-CB 4.19Å; Q53-H61 PolarHBondContact N-O 3.4Å; Q53-H61 PolarHBondContact OE1-CD2 2.91Å; D59-H61 PolarHBondContact O-CD2 3.05Å; D59-H61 VanDerWaalsContact O-CD2 3.27Å; D59-H61 PolarHBondContact O-N 2.87Å
62Q82.9Confident78.3Confident116 Ų11685.2 Ų85.254%0.54245%0.447SS..EExtended strand (participates in β ladder)trans-133.1143174.3-60.2-17420.100110.5A51 K52 E60A51-Q62 CarbonylContact O-C 3.52Å; A51-Q62 WeakPolarHBondContact O-CA 3.33Å; K52-Q62 HydrophobicContact CB-CG 4.44Å; K52-Q62 HydrophobicContact CD-CG 4.32Å; K52-Q62 HydrophobicContact CG-CG 4.07Å; E60-Q62 PolarHBondContact OE2-NE2 2.79Å
63M84.5Confident78.5Confident13 Ų1381.1 Ų81.16%0.06443%0.43CS..EExtended strand (participates in β ladder)trans-138.5132.9-179.8178.7-87.2-165.300109.8Y13 I28 L30 F33 K50 A51 F65Y13-M63 HydrophobicContact CD1-CE 3.37Å; Y13-M63 HydrophobicContact CD1-CG 3.43Å; Y13-M63 VanDerWaalsContact CD1-CG 3.43Å; Y13-M63 HydrophobicContact CD1-SD 4.29Å; Y13-M63 HydrophobicContact CD2-CE 3.46Å; Y13-M63 VanDerWaalsContact CD2-CE 3.46Å; Y13-M63 HydrophobicContact CE1-CE 3.72Å; Y13-M63 HydrophobicContact CE1-CG 3.85Å; Y13-M63 HydrophobicContact CE2-CE 3.83Å; Y13-M63 HydrophobicContact CG-CE 3.22Å; Y13-M63 HydrophobicContact CG-CG 4.14Å; I28-M63 HydrophobicContact CG2-CE 4.04Å; L30-M63 HydrophobicContact CD2-CE 3.36Å; L30-M63 HydrophobicContact CD2-CG 4.3Å; L30-M63 HydrophobicContact CD2-SD 3.79Å; F33-M63 HydrophobicContact CE2-CB 3.62Å; F33-M63 HydrophobicContact CE2-CG 4.38Å; F33-M63 HydrophobicContact CZ-CB 3.59Å; K50-M63 CarbonylContact C-O 3.58Å; K50-M63 WeakPolarHBondContact CA-O 3.47Å; A51-M63 HydrophobicContact CB-CB 4.19Å; A51-M63 PolarHBondContact N-O 3Å; A51-M63 PolarHBondContact O-N 2.93Å; M63-F65 HydrophobicContact CE-CB 3.29Å; M63-F65 HydrophobicContact CE-CG 4.33Å; M63-F65 HydrophobicContact SD-CB 4Å
64L86.7Confident79.1Confident109 Ų10980.6 Ų80.657%0.57143%0.429SS*.EExtended strand (participates in β ladder)trans-128.3110.2171.4178.266.2000108.2I48 K50I48-L64 HydrophobicContact CG2-CD1 3.76Å; K50-L64 HydrophobicContact CD-CD1 4.28Å; K50-L64 HydrophobicContact CG-CD1 3.67Å
65F87.4Confident80.3Confident18 Ų1880.8 Ų80.88%0.07942%0.42CS..EExtended strand (participates in β ladder)trans-104.7132.4166.5168.4-98.9000109.3Y13 V15 I26 I28 I48 V49 M63 R67Y13-F65 HydrophobicContact CE2-CB 4.27Å; Y13-F65 AromaticContact CE2-CD2 3.83Å; Y13-F65 HydrophobicContact CE2-CD2 3.83Å; Y13-F65 HydrophobicContact CE2-CG 4.44Å; V15-F65 HydrophobicContact CB-CE2 4.44Å; V15-F65 HydrophobicContact CG1-CE2 4.25Å; V15-F65 HydrophobicContact CG1-CZ 4.11Å; V15-F65 HydrophobicContact CG2-CD2 3.85Å; V15-F65 HydrophobicContact CG2-CE2 3.61Å; V15-F65 HydrophobicContact CG2-CZ 4.16Å; I26-F65 HydrophobicContact CD1-CE1 3.9Å; I26-F65 HydrophobicContact CD1-CZ 4.24Å; I28-F65 HydrophobicContact CD1-CD1 3.59Å; I28-F65 HydrophobicContact CD1-CE1 3.74Å; I28-F65 HydrophobicContact CD1-CG 4.2Å; I28-F65 HydrophobicContact CD1-CZ 4.45Å; I48-F65 CarbonylContact C-O 3.58Å; I48-F65 WeakPolarHBondContact CA-O 3.33Å; V49-F65 HydrophobicContact CB-CB 4.22Å; V49-F65 HydrophobicContact CB-CD1 4.09Å; V49-F65 HydrophobicContact CG2-CD1 3.95Å; V49-F65 PolarHBondContact N-O 3.39Å; V49-F65 PolarHBondContact O-N 2.88Å; M63-F65 HydrophobicContact CE-CB 3.29Å; M63-F65 HydrophobicContact CE-CG 4.33Å; M63-F65 HydrophobicContact SD-CB 4Å; F65-R67 HydrophobicContact CE1-CB 3.98Å; F65-R67 HydrophobicContact CE2-CB 4.28Å; F65-R67 HydrophobicContact CZ-CB 3.62Å; F65-R67 HydrophobicContact CZ-CG 4.38Å
66S90.4Very high81.7Confident57 Ų5785.8 Ų85.840%0.39944%0.444SS..EExtended strand (participates in β ladder)trans-138135.3173.5-171.50000110.5R46 L47R46-S66 WeakPolarHBondContact CD-OG 3.41Å; R46-S66 VanDerWaalsContact CG-OG 3.27Å; R46-S66 WeakPolarHBondContact CG-OG 3.42Å; L47-S66 VanDerWaalsContact O-CA 3.31Å; L47-S66 WeakPolarHBondContact O-CA 3.43Å; L47-S66 PolarHBondContact O-OG 3.28Å
67R89.4Confident83.3Confident102 Ų10283 Ų8339%0.38542%0.423SS..EExtended strand (participates in β ladder)trans-145.9147179.3-167.7-179175.3169.23.4111L47 F65 L69L47-R67 PolarHBondContact N-O 2.82Å; L47-R67 PolarHBondContact O-N 2.79Å; F65-R67 HydrophobicContact CE1-CB 3.98Å; F65-R67 HydrophobicContact CE2-CB 4.28Å; F65-R67 HydrophobicContact CZ-CB 3.62Å; F65-R67 HydrophobicContact CZ-CG 4.38Å; R67-L69 PolarHBondContact O-N 2.89Å
68Q90.2Very high85Confident112 Ų11277.7 Ų77.752%0.52340%0.399SS..EExtended strand (participates in β ladder)trans-64.6127.5166.3-16371.25.100110
69L87.8Confident86.6Confident11 Ų1176.4 Ų76.46%0.05838%0.382CS..PPolyproline II helixtrans-65.6147.5169.2-74.3173.4000109.6W24 V42 A45 L47 R67 L78W24-L69 HydrophobicContact CE3-CD2 4.46Å; W24-L69 HydrophobicContact CH2-CD2 3.66Å; W24-L69 HydrophobicContact CZ2-CD2 4.22Å; W24-L69 HydrophobicContact CZ3-CD2 3.79Å; V42-L69 HydrophobicContact CG1-CD1 3.66Å; V42-L69 HydrophobicContact CG2-CD1 4.25Å; A45-L69 WeakPolarHBondContact O-CB 3.46Å; A45-L69 PolarHBondContact O-N 2.83Å; L47-L69 HydrophobicContact CB-CD2 3.77Å; L47-L69 HydrophobicContact CB-CG 3.97Å; L47-L69 HydrophobicContact CD2-CD2 4.24Å; R67-L69 PolarHBondContact O-N 2.89Å; L69-L78 HydrophobicContact CD1-CD1 4.26Å; L69-L78 HydrophobicContact CD2-CD1 3.9Å
70N86.4Confident88Confident49 Ų4973.8 Ų73.826%0.26238%0.375SS..PPolyproline II helixtrans-64.1127.2170.9177.9-24.2000107.9Q72 V73N70-Q72 PolarHBondContact O-N 2.79Å; N70-Q72 VanDerWaalsContact O-N 3.08Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.02Å; N70-Q72 PolarHBondContact OD1-N 3.28Å; N70-V73 HydrophobicContact CB-CG2 3.81Å; N70-V73 VanDerWaalsContact O-CB 3.28Å; N70-V73 WeakPolarHBondContact O-CB 3.17Å; N70-V73 PolarHBondContact O-N 2.82Å
71P88.2Confident89.2Confident118 Ų11871.9 Ų71.977%0.76636%0.363SS*.THydrogen-bonded Turntrans-61.1-18.7-17825.4-36.1000113.7V73P71-V73 VanDerWaalsContact C-N 3.26Å; P71-V73 PolarHBondContact O-N 2.81Å
72Q90.3Very high90Very high100 Ų10072.9 Ų72.947%0.46737%0.366SS..THydrogen-bonded Turntrans-83.94.8176-58.9179.3-5800112.9N70 F95 L96N70-Q72 PolarHBondContact O-N 2.79Å; N70-Q72 VanDerWaalsContact O-N 3.08Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.02Å; N70-Q72 PolarHBondContact OD1-N 3.28Å; Q72-F95 HydrophobicContact CB-CD1 3.93Å; Q72-F95 CarbonylContact O-C 3.6Å; Q72-F95 VanDerWaalsContact O-CA 3.22Å; Q72-F95 WeakPolarHBondContact O-CA 3.38Å; Q72-F95 WeakPolarHBondContact O-CD1 3.4Å; Q72-L96 PolarHBondContact O-N 2.89Å
73V90.2Very high90.5Very high11 Ų1170.5 Ų70.57%0.06736%0.355CS..BIsolated β-bridgetrans-90.3134.7-178.4169.20000111.1W24 N70 P71 K75 A93 F95W24-V73 HydrophobicContact CB-CG2 3.3Å; W24-V73 HydrophobicContact CD2-CG2 4.03Å; W24-V73 HydrophobicContact CE3-CG2 4.49Å; W24-V73 HydrophobicContact CG-CG2 3.51Å; N70-V73 HydrophobicContact CB-CG2 3.81Å; N70-V73 VanDerWaalsContact O-CB 3.28Å; N70-V73 WeakPolarHBondContact O-CB 3.17Å; N70-V73 PolarHBondContact O-N 2.82Å; P71-V73 VanDerWaalsContact C-N 3.26Å; P71-V73 PolarHBondContact O-N 2.81Å; V73-K75 VanDerWaalsContact C-N 3.34Å; V73-K75 PolarHBondContact O-N 2.76Å; V73-A93 HydrophobicContact CG1-CB 3.28Å; V73-F95 HydrophobicContact CG2-CD1 4.08Å; V73-F95 HydrophobicContact CG2-CE1 4.02Å
74D91.8Very high90.7Very high23 Ų2374.2 Ų74.212%0.12338%0.38CS..  trans-73.589.9168.2-170.2-16.3000109.3D76 K77 P94 L96D74-D76 PolarHBondContact O-N 3.17Å; D74-D76 PolarHBondContact OD1-N 3.19Å; D74-K77 HydrophobicContact CB-CB 4.4Å; D74-K77 PolarHBondContact O-N 3.12Å; D74-K77 VanDerWaalsContact O-N 3.13Å; D74-K77 WeakPolarHBondContact OD2-CD 3.44Å; D74-K77 WeakPolarHBondContact OD2-CE 3.4Å; D74-K77 IonicContact OD2-NZ 3.61Å; D74-K77 PolarHBondContact OD2-NZ 3.26Å; D74-P94 HydrophobicContact CB-CG 4.13Å; D74-P94 PolarHBondContact N-O 2.94Å; D74-L96 HydrophobicContact CB-CD2 3.85Å; D74-L96 HydrophobicContact CB-CG 4.46Å
75K90.3Very high90.8Very high118 Ų11879 Ų7951%0.51340%0.396SS..G310 helixtrans-59.7-25.4-178.567.6178.5-176176.70113V73 K77 L78V73-K75 VanDerWaalsContact C-N 3.34Å; V73-K75 PolarHBondContact O-N 2.76Å; K75-K77 PolarHBondContact O-N 2.79Å; K75-L78 VanDerWaalsContact O-CB 3.25Å; K75-L78 WeakPolarHBondContact O-CB 3.39Å; K75-L78 PolarHBondContact O-N 3.1Å
76D90Very high90.9Very high139 Ų13981.9 Ų81.974%0.74341%0.412SS*.G310 helixtrans-78.7-17.3-176.9-59.9-34.7000111.1D74D74-D76 PolarHBondContact O-N 3.17Å; D74-D76 PolarHBondContact OD1-N 3.19Å
77K92.9Very high90.7Very high126 Ų12682.1 Ų82.155%0.54841%0.409SS..G310 helixtrans-102.715.2171.9-64.4-177.8-170.71340112.9D74 K75 I79 P94D74-K77 HydrophobicContact CB-CB 4.4Å; D74-K77 PolarHBondContact O-N 3.12Å; D74-K77 VanDerWaalsContact O-N 3.13Å; D74-K77 WeakPolarHBondContact OD2-CD 3.44Å; D74-K77 WeakPolarHBondContact OD2-CE 3.4Å; D74-K77 IonicContact OD2-NZ 3.61Å; D74-K77 PolarHBondContact OD2-NZ 3.26Å; K75-K77 PolarHBondContact O-N 2.79Å; K77-I79 PolarHBondContact O-N 2.75Å; K77-P94 HydrophobicContact CB-CG 3.73Å; K77-P94 HydrophobicContact CD-CG 3.59Å; K77-P94 HydrophobicContact CG-CG 4.32Å
78L92.9Very high90.8Very high34 Ų3480.8 Ų80.818%0.17840%0.404CS..  trans-71.5123.2176.7-172.7148000110.4W24 V42 L69 K75 I91 E92 A93W24-L78 HydrophobicContact CZ3-CD1 4.48Å; V42-L78 HydrophobicContact CG2-CD1 4.05Å; V42-L78 HydrophobicContact CG2-CD2 4.17Å; L69-L78 HydrophobicContact CD1-CD1 4.26Å; L69-L78 HydrophobicContact CD2-CD1 3.9Å; K75-L78 VanDerWaalsContact O-CB 3.25Å; K75-L78 WeakPolarHBondContact O-CB 3.39Å; K75-L78 PolarHBondContact O-N 3.1Å; L78-I91 HydrophobicContact CD1-CG2 4.09Å; L78-I91 HydrophobicContact CD2-CG2 3.79Å; L78-I91 HydrophobicContact CG-CG2 3.97Å; L78-E92 WeakPolarHBondContact CA-O 3.42Å; L78-A93 HydrophobicContact CB-CB 4.06Å; L78-A93 HydrophobicContact CG-CB 4.37Å
79I94.6Very high91Very high89 Ų8975.9 Ų75.946%0.45638%0.381SS..EExtended strand (participates in β ladder)trans-118.5150.8174.963.8171.3000110.1K77 Y81 I91 E92K77-I79 PolarHBondContact O-N 2.75Å; I79-Y81 HydrophobicContact CD1-CD1 4.32Å; I79-Y81 HydrophobicContact CD1-CE1 4.39Å; I79-I91 WeakPolarHBondContact O-CA 3.44Å; I79-E92 HydrophobicContact CD1-CG 3.8Å; I79-E92 HydrophobicContact CG1-CG 3.52Å; I79-E92 PolarHBondContact N-O 3.27Å; I79-E92 PolarHBondContact O-N 3.05Å
80A94.8Very high91.3Very high49 Ų4975.5 Ų75.541%0.40538%0.379SS..EExtended strand (participates in β ladder)trans-129.9132.3172.200000108.8V40 L89 V90 I91V40-A80 HydrophobicContact CB-CB 4.29Å; V40-A80 HydrophobicContact CG1-CB 4.25Å; V40-A80 HydrophobicContact CG2-CB 4.04Å; A80-L89 HydrophobicContact CB-CD1 4.33Å; A80-V90 CarbonylContact C-O 3.59Å; A80-V90 VanDerWaalsContact CA-O 3.3Å; A80-V90 WeakPolarHBondContact CA-O 3.15Å; A80-I91 HydrophobicContact CB-CG1 4.09Å
81Y94.6Very high91.7Very high82 Ų8273.1 Ų73.132%0.32237%0.367SS..EExtended strand (participates in β ladder)trans-140149.8177.458.5-88.7000111.3I79 Q83 V90 E92I79-Y81 HydrophobicContact CD1-CD1 4.32Å; I79-Y81 HydrophobicContact CD1-CE1 4.39Å; Y81-Q83 HydrophobicContact CD2-CG 4.12Å; Y81-Q83 HydrophobicContact CE2-CG 4.06Å; Y81-V90 HydrophobicContact CD1-CB 4.44Å; Y81-V90 HydrophobicContact CD2-CB 4.12Å; Y81-V90 HydrophobicContact CE1-CB 3.96Å; Y81-V90 HydrophobicContact CE1-CG1 3.88Å; Y81-V90 HydrophobicContact CE2-CB 3.6Å; Y81-V90 HydrophobicContact CE2-CG1 4.1Å; Y81-V90 HydrophobicContact CE2-CG2 3.91Å; Y81-V90 PolarHBondContact N-O 3.35Å; Y81-V90 PolarHBondContact O-N 3.49Å; Y81-V90 VanDerWaalsContact OH-CG1 3.29Å; Y81-V90 WeakPolarHBondContact OH-CG1 3.37Å; Y81-E92 HydrophobicContact CE1-CG 4.04Å; Y81-E92 WeakPolarHBondContact CE1-OE2 3.31Å; Y81-E92 PolarHBondContact OH-OE2 3.36Å
82W94.1Very high92Very high55 Ų5568.7 Ų68.721%0.20834%0.336CS..EExtended strand (participates in β ladder)trans-95.4138.5-179.5-178.3-114000110.9L30 F33 A35 I38 P84 N87 R88 L89L30-W82 HydrophobicContact CB-CH2 4.27Å; L30-W82 HydrophobicContact CB-CZ3 4.2Å; L30-W82 HydrophobicContact CD1-CZ3 4.23Å; F33-W82 WeakPolarHBondContact O-CH2 3.3Å; A35-W82 HydrophobicContact CB-CB 4.14Å; A35-W82 HydrophobicContact CB-CD2 4.17Å; A35-W82 HydrophobicContact CB-CG 3.76Å; I38-W82 HydrophobicContact CD1-CE3 3.72Å; I38-W82 HydrophobicContact CD1-CH2 3.84Å; I38-W82 HydrophobicContact CD1-CZ3 3.32Å; W82-P84 WeakPolarHBondContact O-CD 3.35Å; W82-N87 HydrophobicContact CH2-CB 4.09Å; W82-N87 WeakPolarHBondContact CH2-O 3.46Å; W82-N87 HydrophobicContact CZ2-CB 4.18Å; W82-R88 VanDerWaalsContact CZ3-C 3.46Å; W82-L89 HydrophobicContact CE3-CB 4.09Å; W82-L89 HydrophobicContact CZ3-CB 4.21Å
83Q93.5Very high92.2Very high66 Ų6664 Ų6431%0.30831%0.314SS..EExtended strand (participates in β ladder)trans-114.793173.6-64.7-173.8-42.500108.5Y81 K85 D86 N87 R88 V90Y81-Q83 HydrophobicContact CD2-CG 4.12Å; Y81-Q83 HydrophobicContact CE2-CG 4.06Å; Q83-K85 VanDerWaalsContact C-N 3.28Å; Q83-K85 PolarHBondContact O-N 3.24Å; Q83-D86 PolarHBondContact O-N 3.32Å; Q83-N87 PolarHBondContact O-N 3.47Å; Q83-R88 HydrophobicContact CB-CB 4.24Å; Q83-R88 PolarHBondContact N-O 2.98Å; Q83-R88 PolarHBondContact O-N 3.14Å; Q83-V90 HydrophobicContact CG-CG2 4.22Å
84P88.3Confident92.3Very high91 Ų9164.8 Ų64.859%0.59132%0.319SS*.G310 helixtrans-58.7-35.4-173.5-22.227.9000114.2W82 D86 N87W82-P84 WeakPolarHBondContact O-CD 3.35Å; P84-D86 PolarHBondContact O-N 3.29Å; P84-D86 VanDerWaalsContact O-N 3.14Å; P84-N87 PolarHBondContact O-N 3.22Å
85K89Confident92.4Very high208 Ų20866 Ų6690%0.90432%0.324SS*.G310 helixtrans-59.7-28.1-177.6-67.3-173.7178.6-177.30113.2Q83Q83-K85 VanDerWaalsContact C-N 3.28Å; Q83-K85 PolarHBondContact O-N 3.24Å
86D88.3Confident92.3Very high79 Ų7964.6 Ų64.642%0.42232%0.321SS..G310 helixtrans-116.96.9-174.6-66-29.5000113Q83 P84 R88Q83-D86 PolarHBondContact O-N 3.32Å; P84-D86 PolarHBondContact O-N 3.29Å; P84-D86 VanDerWaalsContact O-N 3.14Å; D86-R88 HydrophobicContact CB-CB 3.79Å; D86-R88 PolarHBondContact O-N 3.2Å; D86-R88 IonicContact OD2-CZ 3.17Å; D86-R88 IonicContact OD2-NH1 3.43Å; D86-R88 IonicContact OD2-NH2 2.84Å
87N87.1Confident91.6Very high62 Ų6266.9 Ų66.933%0.33233%0.327SS..THydrogen-bonded Turntrans45.250.3-169.3-67.8-35.5000112.3V29 L30 V31 W82 Q83 P84V29-N87 CarbonylContact C-O 3.6Å; V29-N87 WeakPolarHBondContact CA-O 3.33Å; L30-N87 PolarHBondContact N-O 3.16Å; V31-N87 HydrophobicContact CG2-CB 3.75Å; W82-N87 HydrophobicContact CH2-CB 4.09Å; W82-N87 WeakPolarHBondContact CH2-O 3.46Å; W82-N87 HydrophobicContact CZ2-CB 4.18Å; Q83-N87 PolarHBondContact O-N 3.47Å; P84-N87 PolarHBondContact O-N 3.22Å
88R91.8Very high90.3Very high75 Ų7567.9 Ų67.928%0.28333%0.334SS..EExtended strand (participates in β ladder)trans-126.6125.4-163.9177.7-172.7-70.2-178.714.4111.6S27 I28 W82 Q83 D86 V90S27-R88 WeakPolarHBondContact OG-CD 3.21Å; S27-R88 WeakPolarHBondContact OG-CG 3.41Å; S27-R88 PolarHBondContact OG-NE 2.92Å; I28-R88 CarbonylContact O-C 3.56Å; I28-R88 WeakPolarHBondContact O-CA 3.41Å; W82-R88 VanDerWaalsContact CZ3-C 3.46Å; Q83-R88 HydrophobicContact CB-CB 4.24Å; Q83-R88 PolarHBondContact N-O 2.98Å; Q83-R88 PolarHBondContact O-N 3.14Å; D86-R88 HydrophobicContact CB-CB 3.79Å; D86-R88 PolarHBondContact O-N 3.2Å; D86-R88 IonicContact OD2-CZ 3.17Å; D86-R88 IonicContact OD2-NH1 3.43Å; D86-R88 IonicContact OD2-NH2 2.84Å; R88-V90 HydrophobicContact CG-CG2 4.11Å
89L93.8Very high88.5Confident8 Ų872 Ų724%0.04236%0.363CS..EExtended strand (participates in β ladder)trans-88.9127165.9-179.970.8000109.2S27 I28 L30 I38 V40 V49 A80 W82 I91S27-L89 CarbonylContact C-O 3.57Å; S27-L89 WeakPolarHBondContact CA-O 3.43Å; I28-L89 HydrophobicContact CB-CB 4.46Å; I28-L89 PolarHBondContact N-O 3.01Å; I28-L89 PolarHBondContact O-N 3.09Å; L30-L89 HydrophobicContact CD1-CB 3.76Å; L30-L89 HydrophobicContact CD1-CD2 4.04Å; I38-L89 HydrophobicContact CG2-CD1 4.44Å; I38-L89 HydrophobicContact CG2-CD2 3.97Å; V40-L89 HydrophobicContact CG2-CD1 4.16Å; V40-L89 HydrophobicContact CG2-CD2 3.67Å; V40-L89 HydrophobicContact CG2-CG 4.48Å; V49-L89 HydrophobicContact CG1-CD2 3.58Å; V49-L89 HydrophobicContact CG2-CD2 4.08Å; A80-L89 HydrophobicContact CB-CD1 4.33Å; W82-L89 HydrophobicContact CE3-CB 4.09Å; W82-L89 HydrophobicContact CZ3-CB 4.21Å; L89-I91 HydrophobicContact CD2-CD1 3.87Å; L89-I91 HydrophobicContact CD2-CG1 4.16Å; L89-I91 HydrophobicContact CG-CD1 4.33Å; L89-I91 HydrophobicContact CG-CG1 4.07Å
90V94.2Very high86.7Confident3 Ų373.8 Ų73.82%0.01838%0.378CS..EExtended strand (participates in β ladder)trans-110.4132.2171.1-175.90000108.7R25 A80 Y81 Q83 R88R25-V90 HydrophobicContact CG-CG1 3.79Å; A80-V90 CarbonylContact C-O 3.59Å; A80-V90 VanDerWaalsContact CA-O 3.3Å; A80-V90 WeakPolarHBondContact CA-O 3.15Å; Y81-V90 HydrophobicContact CD1-CB 4.44Å; Y81-V90 HydrophobicContact CD2-CB 4.12Å; Y81-V90 HydrophobicContact CE1-CB 3.96Å; Y81-V90 HydrophobicContact CE1-CG1 3.88Å; Y81-V90 HydrophobicContact CE2-CB 3.6Å; Y81-V90 HydrophobicContact CE2-CG1 4.1Å; Y81-V90 HydrophobicContact CE2-CG2 3.91Å; Y81-V90 PolarHBondContact N-O 3.35Å; Y81-V90 PolarHBondContact O-N 3.49Å; Y81-V90 VanDerWaalsContact OH-CG1 3.29Å; Y81-V90 WeakPolarHBondContact OH-CG1 3.37Å; Q83-V90 HydrophobicContact CG-CG2 4.22Å; R88-V90 HydrophobicContact CG-CG2 4.11Å
91I94.7Very high84.7Confident0 Ų075.7 Ų75.70%039%0.393CS..EExtended strand (participates in β ladder)trans-123.7122.8177.2-54.1172.1000106.7W24 R25 I26 I28 V40 L47 V49 L78 I79 A80 L89W24-I91 HydrophobicContact CZ3-CG2 4.09Å; R25-I91 WeakPolarHBondContact CA-O 3.42Å; I26-I91 HydrophobicContact CD1-CB 4.45Å; I26-I91 HydrophobicContact CD1-CD1 4.3Å; I26-I91 HydrophobicContact CG1-CB 3.89Å; I26-I91 PolarHBondContact N-O 2.81Å; I26-I91 PolarHBondContact O-N 3.42Å; I28-I91 HydrophobicContact CD1-CD1 4.32Å; V40-I91 HydrophobicContact CG1-CD1 3.92Å; V40-I91 HydrophobicContact CG2-CD1 4.37Å; L47-I91 HydrophobicContact CD1-CD1 4.21Å; L47-I91 HydrophobicContact CD1-CG2 4.36Å; L47-I91 HydrophobicContact CD2-CD1 3.78Å; L47-I91 HydrophobicContact CD2-CG2 4.06Å; L47-I91 HydrophobicContact CG-CD1 4.36Å; V49-I91 HydrophobicContact CG2-CD1 3.53Å; L78-I91 HydrophobicContact CD1-CG2 4.09Å; L78-I91 HydrophobicContact CD2-CG2 3.79Å; L78-I91 HydrophobicContact CG-CG2 3.97Å; I79-I91 WeakPolarHBondContact O-CA 3.44Å; A80-I91 HydrophobicContact CB-CG1 4.09Å; L89-I91 HydrophobicContact CD2-CD1 3.87Å; L89-I91 HydrophobicContact CD2-CG1 4.16Å; L89-I91 HydrophobicContact CG-CD1 4.33Å; L89-I91 HydrophobicContact CG-CG1 4.07Å
92E94.4Very high82.5Confident25 Ų2578.6 Ų78.612%0.11741%0.414CS..EExtended strand (participates in β ladder)trans-141.3153.4-177.667.6-175.1-13000112.4W24 R25 L78 I79 Y81W24-E92 CarbonylContact O-C 3.44Å; W24-E92 WeakPolarHBondContact O-CA 3.46Å; R25-E92 HydrophobicContact CB-CB 4.09Å; R25-E92 HydrophobicContact CG-CB 4Å; R25-E92 IonicContact CZ-OE2 3Å; R25-E92 IonicContact NE-OE2 3.81Å; R25-E92 PolarHBondContact NE-OE2 2.97Å; R25-E92 IonicContact NH2-OE1 2.79Å; R25-E92 PolarHBondContact NH2-OE1 2.81Å; R25-E92 IonicContact NH2-OE2 2.68Å; R25-E92 PolarHBondContact NH2-OE2 3.43Å; L78-E92 WeakPolarHBondContact CA-O 3.42Å; I79-E92 HydrophobicContact CD1-CG 3.8Å; I79-E92 HydrophobicContact CG1-CG 3.52Å; I79-E92 PolarHBondContact N-O 3.27Å; I79-E92 PolarHBondContact O-N 3.05Å; Y81-E92 HydrophobicContact CE1-CG 4.04Å; Y81-E92 WeakPolarHBondContact CE1-OE2 3.31Å; Y81-E92 PolarHBondContact OH-OE2 3.36Å
93A94Very high80.2Confident1 Ų185.6 Ų85.61%0.00845%0.446CS..EExtended strand (participates in β ladder)trans-157.3146176.700000108.6F23 W24 V73 L78F23-A93 WeakPolarHBondContact CA-O 3.38Å; W24-A93 PolarHBondContact N-O 2.99Å; W24-A93 PolarHBondContact O-N 2.72Å; V73-A93 HydrophobicContact CG1-CB 3.28Å; L78-A93 HydrophobicContact CB-CB 4.06Å; L78-A93 HydrophobicContact CG-CB 4.37Å
94P94Very high78.4Confident27 Ų2788.5 Ų88.518%0.17547%0.468CS..EExtended strand (participates in β ladder)trans-66.7153.7172.228.1-30.5000110.6K22 F23 D74 K77K22-P94 WeakPolarHBondContact O-CA 3.47Å; F23-P94 HydrophobicContact CD1-CB 4.1Å; F23-P94 HydrophobicContact CE1-CB 3.97Å; D74-P94 HydrophobicContact CB-CG 4.13Å; D74-P94 PolarHBondContact N-O 2.94Å; K77-P94 HydrophobicContact CB-CG 3.73Å; K77-P94 HydrophobicContact CD-CG 3.59Å; K77-P94 HydrophobicContact CG-CG 4.32Å
95F92.3Very high77.1Confident50 Ų5093.3 Ų93.322%0.21950%0.499CS..BIsolated β-bridgetrans-68.9145.6163.4-67.2-70.2000109.6D20 K22 F23 W24 Q72 V73 E97D20-F95 VanDerWaalsContact O-CE2 3.31Å; D20-F95 WeakPolarHBondContact O-CE2 3.49Å; K22-F95 WeakPolarHBondContact O-CD2 3.23Å; K22-F95 PolarHBondContact O-N 2.79Å; F23-F95 WeakPolarHBondContact O-CE2 3.39Å; W24-F95 HydrophobicContact CB-CD1 4.47Å; W24-F95 HydrophobicContact CB-CE1 3.79Å; W24-F95 HydrophobicContact CB-CE2 4.35Å; W24-F95 HydrophobicContact CB-CZ 3.71Å; W24-F95 HydrophobicContact CG-CE1 4.48Å; W24-F95 HydrophobicContact CG-CZ 4.49Å; Q72-F95 HydrophobicContact CB-CD1 3.93Å; Q72-F95 CarbonylContact O-C 3.6Å; Q72-F95 VanDerWaalsContact O-CA 3.22Å; Q72-F95 WeakPolarHBondContact O-CA 3.38Å; Q72-F95 WeakPolarHBondContact O-CD1 3.4Å; V73-F95 HydrophobicContact CG2-CD1 4.08Å; V73-F95 HydrophobicContact CG2-CE1 4.02Å; F95-E97 PolarHBondContact O-N 2.97Å
96L89Confident76.5Confident88 Ų8887.6 Ų87.646%0.46148%0.479SS..PPolyproline II helixtrans-52.5130.6165.3-66.7171.1000107.4Q72 D74 Q98Q72-L96 PolarHBondContact O-N 2.89Å; D74-L96 HydrophobicContact CB-CD2 3.85Å; D74-L96 HydrophobicContact CB-CG 4.46Å; L96-Q98 PolarHBondContact O-N 3.23Å
97E76.3Confident75.9Confident187 Ų18788.1 Ų88.187%0.87448%0.482SS*.PPolyproline II helixtrans-53.2116.1170-67.3-176165.900106.8F95F95-E97 PolarHBondContact O-N 2.97Å
98Q63.9Low75.2Confident146 Ų14689.5 Ų89.568%0.68249%0.49SS*.PPolyproline II helixtrans-56.3132.3172.1-70.2-172-1.400105.9L96 V100L96-Q98 PolarHBondContact O-N 3.23Å; Q98-V100 PolarHBondContact O-N 3.19Å
99P56.5Low74.3Confident122 Ų12290.4 Ų90.479%0.79250%0.503SS*.  trans-53.7113.9171.921-29.4000105.7A101P99-A101 VanDerWaalsContact C-N 3.31Å; P99-A101 PolarHBondContact O-N 3.35Å
100V56.1Low73Confident126 Ų12695.5 Ų95.576%0.76453%0.531SS*.  trans-55.7108.9172.1-174.90000102.9Q98 N102Q98-V100 PolarHBondContact O-N 3.19Å; V100-N102 PolarHBondContact O-N 3.34Å
101A52.9Low71.6Confident88 Ų88101.7 Ų101.773%0.72757%0.566SS**  trans-56.8102.9170.600000104.1P99 K103P99-A101 VanDerWaalsContact C-N 3.31Å; P99-A101 PolarHBondContact O-N 3.35Å; A101-K103 VanDerWaalsContact C-N 3.34Å; A101-K103 PolarHBondContact O-N 3.41Å
102N48.1Very low70Confident144 Ų144108.9 Ų108.977%0.7761%0.606SS**  trans-51.7108.3176.5-97.2-8.4000105.2V100 V104V100-N102 PolarHBondContact O-N 3.34Å; N102-V104 PolarHBondContact O-N 3Å
103K47.1Very low68.1Low202 Ų202115.4 Ų115.488%0.87864%0.644SS**  trans-59.3103.2157.9-79.4-173.2175.1-174.90104.1A101A101-K103 VanDerWaalsContact C-N 3.34Å; A101-K103 PolarHBondContact O-N 3.41Å
104V54.3Low65.9Low126 Ų126124.9 Ų124.976%0.76470%0.697SS**  trans-53.4137.6163.4179.60000106.3N102N102-V104 PolarHBondContact O-N 3Å
105P60.9Low63.4Low193 Ų193133.8 Ų133.8100%1.25374%0.744SS**  trans-41.60-1696.5-25.7000116.4

Retrieved 105 of 105 residues in 64.4 ms (Link to these results)

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