A0A077ZNI9_TRITR Loading...

ABM domain containing protein

AlphaFold DB (P0ADU2), UniProt , Accession A0A077ZNI9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 104 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
1M93.6Very high98.2Very high110 Ų11051.2 Ų51.254%0.54223%0.234SC..  0123.90-166.966.665.600108.9H38 Q65 W66 E67M1-H38 HydrophobicContact CE-CB 4.16Å; M1-H38 WeakPolarHBondContact CE-CD2 3.4Å; M1-H38 HydrophobicContact SD-CB 4.19Å; M1-H38 VanDerWaalsContact SD-CD2 3.56Å; M1-Q65 HydrophobicContact SD-CB 4.28Å; M1-W66 CarbonylContact C-O 3.44Å; M1-W66 VanDerWaalsContact CA-O 3.24Å; M1-W66 WeakPolarHBondContact CA-O 3.38Å; M1-W66 VanDerWaalsContact SD-C 3.54Å; M1-E67 WeakPolarHBondContact CA-O 3.41Å; M1-E67 PolarHBondContact N-O 2.98Å
2L98.4Very high98.2Very high29 Ų2954.4 Ų54.415%0.15226%0.263CS..EExtended strand (participates in β ladder)trans-111.4141.8178.3-56.7176.8000108.1Q65 W66 I69 I99 L100L2-Q65 WeakPolarHBondContact O-CA 3.43Å; L2-W66 PolarHBondContact N-O 3.27Å; L2-W66 PolarHBondContact O-N 3.4Å; L2-I69 HydrophobicContact CD1-CB 4.19Å; L2-I99 HydrophobicContact CB-CG2 4.18Å; L2-I99 HydrophobicContact CD1-CG2 3.94Å; L2-I99 HydrophobicContact CD2-CG2 4.27Å; L2-I99 HydrophobicContact CG-CG2 4.36Å; L2-L100 WeakPolarHBondContact CA-O 3.48Å
3T98.8Very high97.9Very high42 Ų4252.2 Ų52.226%0.25826%0.264SS..EExtended strand (participates in β ladder)trans-100.7124.6164.9-58.80000108.1E64 Q65 L100T3-E64 CarbonylContact C-O 3.6Å; T3-E64 WeakPolarHBondContact CA-O 3.32Å; T3-Q65 PolarHBondContact OG1-OE1 3.34Å; T3-L100 PolarHBondContact N-O 3.4Å; T3-L100 WeakPolarHBondContact O-CA 3.26Å; T3-L100 WeakPolarHBondContact O-CB 3.39Å; T3-L100 PolarHBondContact O-N 3.24Å
4V98.9Very high97.6Very high2 Ų258.6 Ų58.61%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-107.8130.9174.5-173.60000108.7E64 L72 I97 R98 I99V4-E64 HydrophobicContact CB-CB 4.06Å; V4-E64 HydrophobicContact CB-CG 4.38Å; V4-E64 PolarHBondContact N-O 3.38Å; V4-E64 PolarHBondContact O-N 3.1Å; V4-L72 HydrophobicContact CG2-CD2 3.87Å; V4-I97 HydrophobicContact CG1-CG2 3.65Å; V4-R98 WeakPolarHBondContact CA-O 3.44Å; V4-I99 HydrophobicContact CG2-CG1 4.33Å
5I98.8Very high97.6Very high60 Ų6063.2 Ų63.231%0.30831%0.312SS..EExtended strand (participates in β ladder)trans-113.1110.5166.9-56.8-179.5000106.3V61 M62 R98 L100I5-V61 HydrophobicContact CG2-CG1 3.7Å; I5-M62 WeakPolarHBondContact CA-O 3.41Å; I5-R98 PolarHBondContact N-O 3.02Å; I5-R98 PolarHBondContact O-N 3.09Å; I5-L100 HydrophobicContact CD1-CD1 3.71Å; I5-L100 HydrophobicContact CG1-CD1 4.05Å
6A98.7Very high97.7Very high3 Ų361.6 Ų61.63%0.02530%0.304CS..EExtended strand (participates in β ladder)trans-112108.717400000109.5M62 M95 N96 I97A6-M62 HydrophobicContact CB-CB 4.08Å; A6-M62 HydrophobicContact CB-CG 4.42Å; A6-M62 PolarHBondContact N-O 2.9Å; A6-M62 PolarHBondContact O-N 2.73Å; A6-M95 HydrophobicContact CB-SD 4.36Å; A6-N96 CarbonylContact C-O 3.41Å; A6-N96 WeakPolarHBondContact CA-O 3.37Å; A6-I97 HydrophobicContact CB-CG1 3.99Å
7E98.7Very high97.7Very high81 Ų8160.5 Ų60.538%0.37930%0.295SS..EExtended strand (participates in β ladder)trans-86.3118.5171.6-177.1175.6-155.900109V61 M95 N96E7-V61 HydrophobicContact CG-CG2 4.4Å; E7-M95 CarbonylContact O-C 3.52Å; E7-M95 VanDerWaalsContact O-CA 3.25Å; E7-M95 WeakPolarHBondContact O-CA 3.38Å; E7-N96 HydrophobicContact CB-CB 4.45Å; E7-N96 PolarHBondContact N-O 3.43Å; E7-N96 PolarHBondContact O-N 3.5Å
8I98.7Very high97.8Very high7 Ų762.1 Ų62.14%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-106.7111178.6-59.8168.7000107.2F24 S59 I60 M62 V92 M95I8-F24 HydrophobicContact CD1-CE2 3.8Å; I8-F24 HydrophobicContact CD1-CZ 3.44Å; I8-F24 VanDerWaalsContact CD1-CZ 3.44Å; I8-S59 WeakPolarHBondContact O-CA 3.13Å; I8-I60 PolarHBondContact N-O 2.78Å; I8-I60 PolarHBondContact O-N 3.32Å; I8-M62 HydrophobicContact CD1-CG 3.88Å; I8-V92 HydrophobicContact CG2-CB 4.46Å; I8-V92 HydrophobicContact CG2-CG1 3.85Å; I8-V92 HydrophobicContact CG2-CG2 3.78Å; I8-M95 HydrophobicContact CD1-SD 4.49Å; I8-M95 HydrophobicContact CG1-CG 3.96Å; I8-M95 HydrophobicContact CG1-SD 4.02Å
9R98.7Very high97.8Very high118 Ų11860.5 Ų60.545%0.44530%0.3SS..EExtended strand (participates in β ladder)trans-89.1123.3175.6-174.2-176.4176.4-172.71109.2L93 E94R9-L93 PolarHBondContact O-N 3.09Å; R9-E94 HydrophobicContact CB-CG 3.8Å; R9-E94 WeakPolarHBondContact CD-OE1 3.45Å; R9-E94 HydrophobicContact CG-CG 4.47Å; R9-E94 IonicContact CZ-OE1 3.76Å; R9-E94 PolarHBondContact N-O 2.93Å; R9-E94 IonicContact NE-OE1 3.89Å; R9-E94 IonicContact NH1-OE1 2.9Å; R9-E94 PolarHBondContact NH1-OE1 3.32Å; R9-E94 PolarHBondContact O-N 2.96Å
10T98.7Very high97.9Very high1 Ų157.5 Ų57.51%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-90.6167.4173.7680000111.1V20 D58 D91T10-V20 HydrophobicContact CG2-CB 4.4Å; T10-V20 HydrophobicContact CG2-CG2 3.83Å; T10-D58 PolarHBondContact N-O 2.82Å; T10-D58 PolarHBondContact OG1-O 2.81Å; T10-D91 CarbonylContact C-O 3.57Å; T10-D91 WeakPolarHBondContact CA-O 3.36Å; T10-D91 WeakPolarHBondContact CB-O 3.44Å
11R98.7Very high97.9Very high110 Ų11056.3 Ų56.342%0.41528%0.28SS..PPolyproline II helixtrans-57.3150.5163.6-71.2-175.4-169-76.3-9.2109.7G13 H16 G90 D91 L93R11-G13 PolarHBondContact O-N 3.39Å; R11-H16 HydrophobicContact CB-CB 4.3Å; R11-H16 VanDerWaalsContact CB-CD2 3.43Å; R11-H16 WeakPolarHBondContact CB-CD2 3.33Å; R11-G90 VanDerWaalsContact CD-O 3.25Å; R11-G90 WeakPolarHBondContact CD-O 3.45Å; R11-G90 PolarHBondContact NE-O 3.28Å; R11-D91 PolarHBondContact N-O 2.78Å; R11-L93 HydrophobicContact CG-CD1 4.32Å; R11-L93 HydrophobicContact CG-CD2 3.67Å; R11-L93 HydrophobicContact CG-CG 3.76Å
12P97.6Very high98.2Very high90 Ų9054.9 Ų54.958%0.58427%0.274SS*.SBendtrans-58.6132.6179.4-2534.6000112.4H16P12-H16 PolarHBondContact O-CD2 2.9Å
13G94.6Very high98.2Very high26 Ų2655.7 Ų55.727%0.26828%0.277SS..SBendtrans119.2133.2176.200000112.7R11 H15 H16 D58R11-G13 PolarHBondContact O-N 3.39Å; G13-H15 PolarHBondContact O-N 3.44Å; G13-H16 PolarHBondContact O-N 3.33Å; G13-H16 VanDerWaalsContact O-N 3.07Å; G13-D58 PolarHBondContact N-OD1 3.47Å
14Q94.2Very high98.2Very high142 Ų14253.8 Ų53.866%0.66427%0.265SS*.Hα-helixtrans-58.2-28.2-173.4-69.1-175.5-1700114.3R17 Q18Q14-R17 PolarHBondContact O-N 2.84Å; Q14-Q18 VanDerWaalsContact O-CB 3.32Å; Q14-Q18 WeakPolarHBondContact O-CB 3.46Å; Q14-Q18 PolarHBondContact O-N 2.74Å
15H97.6Very high98.2Very high127 Ų12757 Ų5759%0.58829%0.292SS*.Hα-helixtrans-67.9-35.5179.665.4-85.2000112.4G13 Q18 A19G13-H15 PolarHBondContact O-N 3.44Å; H15-Q18 PolarHBondContact O-N 2.94Å; H15-A19 WeakPolarHBondContact O-CB 3.2Å; H15-A19 PolarHBondContact O-N 2.82Å
16H98.6Very high98.1Very high38 Ų3860.3 Ų60.318%0.17631%0.305CS..Hα-helixtrans-65.2-47.7173.6-71.5-58.4000110.5R11 P12 G13 Q18 A19 V20 D91R11-H16 HydrophobicContact CB-CB 4.3Å; R11-H16 VanDerWaalsContact CB-CD2 3.43Å; R11-H16 WeakPolarHBondContact CB-CD2 3.33Å; P12-H16 PolarHBondContact O-CD2 2.9Å; G13-H16 PolarHBondContact O-N 3.33Å; G13-H16 VanDerWaalsContact O-N 3.07Å; H16-Q18 VanDerWaalsContact C-N 3.33Å; H16-Q18 PolarHBondContact O-N 2.78Å; H16-A19 PolarHBondContact O-N 2.92Å; H16-V20 WeakPolarHBondContact O-CG2 3.43Å; H16-V20 PolarHBondContact O-N 2.93Å; H16-V20 VanDerWaalsContact O-N 3.17Å; H16-D91 HydrophobicContact CB-CB 4.19Å; H16-D91 IonicContact CE1-OD1 3.66Å; H16-D91 IonicContact CG-OD1 2.7Å; H16-D91 IonicContact ND1-OD1 2.82Å; H16-D91 PolarHBondContact ND1-OD1 2.79Å
17R98.3Very high98.1Very high43 Ų4360.8 Ų60.816%0.16231%0.307CS..Hα-helixtrans-57.7-45.6174.1-170.1-173.268.6-170.96.3112Q14 V20 L21 P57 I60Q14-R17 PolarHBondContact O-N 2.84Å; R17-V20 PolarHBondContact O-N 3.21Å; R17-L21 HydrophobicContact CG-CD1 4.27Å; R17-L21 WeakPolarHBondContact O-CG 3.28Å; R17-L21 PolarHBondContact O-N 2.85Å; R17-P57 VanDerWaalsContact CD-O 3.32Å; R17-P57 WeakPolarHBondContact CD-O 3.44Å; R17-P57 PolarHBondContact NH1-O 2.72Å; R17-I60 HydrophobicContact CG-CD1 3.91Å; R17-I60 HydrophobicContact CG-CG1 3.73Å
18Q98.6Very high98.1Very high89 Ų8958.1 Ų58.142%0.41630%0.295SS..Hα-helixtrans-64-41.3179.7-169.760.351.200111.7Q14 H15 H16 V20 L21 D22Q14-Q18 VanDerWaalsContact O-CB 3.32Å; Q14-Q18 WeakPolarHBondContact O-CB 3.46Å; Q14-Q18 PolarHBondContact O-N 2.74Å; H15-Q18 PolarHBondContact O-N 2.94Å; H16-Q18 VanDerWaalsContact C-N 3.33Å; H16-Q18 PolarHBondContact O-N 2.78Å; Q18-V20 VanDerWaalsContact C-N 3.28Å; Q18-V20 PolarHBondContact O-N 2.7Å; Q18-L21 PolarHBondContact O-N 3.17Å; Q18-L21 VanDerWaalsContact O-N 3.17Å; Q18-D22 PolarHBondContact NE2-OD1 2.85Å; Q18-D22 WeakPolarHBondContact O-CB 3.46Å; Q18-D22 PolarHBondContact O-N 2.77Å
19A98.7Very high98.1Very high32 Ų3261 Ų6126%0.26432%0.315SS..Hα-helixtrans-58.4-40.617600000112.1H15 H16 D22 Q23H15-A19 WeakPolarHBondContact O-CB 3.2Å; H15-A19 PolarHBondContact O-N 2.82Å; H16-A19 PolarHBondContact O-N 2.92Å; A19-D22 PolarHBondContact O-N 3.41Å; A19-Q23 PolarHBondContact O-N 3.41Å
20V98.8Very high98.1Very high0 Ų058.8 Ų58.80%031%0.314CS..Hα-helixtrans-67.5-44.2175-178.90000111.6T10 H16 R17 Q18 D22 Q23 F24 I60 Y84 V88 D91 V92T10-V20 HydrophobicContact CG2-CB 4.4Å; T10-V20 HydrophobicContact CG2-CG2 3.83Å; H16-V20 WeakPolarHBondContact O-CG2 3.43Å; H16-V20 PolarHBondContact O-N 2.93Å; H16-V20 VanDerWaalsContact O-N 3.17Å; R17-V20 PolarHBondContact O-N 3.21Å; Q18-V20 VanDerWaalsContact C-N 3.28Å; Q18-V20 PolarHBondContact O-N 2.7Å; V20-D22 VanDerWaalsContact C-N 3.3Å; V20-D22 PolarHBondContact O-N 3.28Å; V20-Q23 PolarHBondContact O-N 3.07Å; V20-Q23 VanDerWaalsContact O-N 3.14Å; V20-F24 HydrophobicContact CG1-CD2 3.89Å; V20-F24 HydrophobicContact CG1-CE2 3.62Å; V20-F24 WeakPolarHBondContact O-CD2 3.4Å; V20-F24 PolarHBondContact O-N 3.28Å; V20-I60 HydrophobicContact CB-CD1 3.76Å; V20-I60 HydrophobicContact CG1-CD1 3.61Å; V20-Y84 HydrophobicContact CG1-CE2 4.31Å; V20-Y84 WeakPolarHBondContact CG1-OH 3.36Å; V20-V88 HydrophobicContact CB-CG1 4.45Å; V20-V88 HydrophobicContact CG1-CG1 4.31Å; V20-V88 HydrophobicContact CG2-CB 4.13Å; V20-V88 HydrophobicContact CG2-CG1 4.19Å; V20-D91 HydrophobicContact CG2-CB 3.73Å; V20-V92 HydrophobicContact CG2-CG2 3.9Å
21L98.8Very high98.1Very high33 Ų3358.7 Ų58.717%0.17331%0.314CS..Hα-helixtrans-60.8-37.8176-70.3170.6000112.4R17 Q18 Q23 F24 A25 P42 V44 I60R17-L21 HydrophobicContact CG-CD1 4.27Å; R17-L21 WeakPolarHBondContact O-CG 3.28Å; R17-L21 PolarHBondContact O-N 2.85Å; Q18-L21 PolarHBondContact O-N 3.17Å; Q18-L21 VanDerWaalsContact O-N 3.17Å; L21-Q23 VanDerWaalsContact C-N 3.28Å; L21-Q23 PolarHBondContact O-N 3.06Å; L21-F24 WeakPolarHBondContact O-CB 3.44Å; L21-F24 PolarHBondContact O-N 2.9Å; L21-F24 VanDerWaalsContact O-N 3.15Å; L21-A25 PolarHBondContact O-N 2.81Å; L21-P42 HydrophobicContact CD2-CB 4.16Å; L21-V44 HydrophobicContact CD1-CG1 4.04Å; L21-V44 HydrophobicContact CD2-CG1 4.21Å; L21-I60 HydrophobicContact CD2-CD1 3.78Å; L21-I60 HydrophobicContact CD2-CG1 4.06Å; L21-I60 HydrophobicContact CD2-CG2 4.1Å; L21-I60 HydrophobicContact CG-CD1 3.75Å; L21-I60 HydrophobicContact CG-CG1 4.3Å
22D98.8Very high98.1Very high79 Ų7957.3 Ų57.342%0.42231%0.314SS..Hα-helixtrans-65.9-31.5176.9-67.9-12.7000111.8Q18 A19 V20 K26Q18-D22 PolarHBondContact NE2-OD1 2.85Å; Q18-D22 WeakPolarHBondContact O-CB 3.46Å; Q18-D22 PolarHBondContact O-N 2.77Å; A19-D22 PolarHBondContact O-N 3.41Å; V20-D22 VanDerWaalsContact C-N 3.3Å; V20-D22 PolarHBondContact O-N 3.28Å; D22-K26 WeakPolarHBondContact O-CE 3.37Å; D22-K26 WeakPolarHBondContact O-CG 3.32Å
23Q98.7Very high98.2Very high47 Ų4761.5 Ų61.522%0.2232%0.323CS..Hα-helixtrans-73-40.4170.3-60-56.5-25.600111.5A19 V20 L21 A25 K26 I27 Y84 A87 V88A19-Q23 PolarHBondContact O-N 3.41Å; V20-Q23 PolarHBondContact O-N 3.07Å; V20-Q23 VanDerWaalsContact O-N 3.14Å; L21-Q23 VanDerWaalsContact C-N 3.28Å; L21-Q23 PolarHBondContact O-N 3.06Å; Q23-A25 VanDerWaalsContact C-N 3.32Å; Q23-A25 PolarHBondContact O-N 3.43Å; Q23-K26 VanDerWaalsContact NE2-NZ 3.17Å; Q23-K26 WeakPolarHBondContact O-CB 3.39Å; Q23-K26 PolarHBondContact O-N 2.83Å; Q23-K26 VanDerWaalsContact O-N 3.08Å; Q23-I27 PolarHBondContact O-N 2.99Å; Q23-Y84 HydrophobicContact CB-CD2 3.74Å; Q23-Y84 HydrophobicContact CB-CE2 4.05Å; Q23-A87 HydrophobicContact CG-CB 4.11Å; Q23-V88 HydrophobicContact CB-CG1 3.91Å; Q23-V88 HydrophobicContact CG-CG1 3.65Å
24F98.7Very high98.4Very high1 Ų161.9 Ų61.90%0.00432%0.318CS..Hα-helixtrans-58.3-43.4173.7-81.7-55.9000112.5I8 V20 L21 K26 I27 V28 Y40 P42 I60 M62 Y84I8-F24 HydrophobicContact CD1-CE2 3.8Å; I8-F24 HydrophobicContact CD1-CZ 3.44Å; I8-F24 VanDerWaalsContact CD1-CZ 3.44Å; V20-F24 HydrophobicContact CG1-CD2 3.89Å; V20-F24 HydrophobicContact CG1-CE2 3.62Å; V20-F24 WeakPolarHBondContact O-CD2 3.4Å; V20-F24 PolarHBondContact O-N 3.28Å; L21-F24 WeakPolarHBondContact O-CB 3.44Å; L21-F24 PolarHBondContact O-N 2.9Å; L21-F24 VanDerWaalsContact O-N 3.15Å; F24-K26 PolarHBondContact O-N 2.76Å; F24-I27 HydrophobicContact CD1-CD1 3.83Å; F24-I27 HydrophobicContact CD1-CG1 4.07Å; F24-I27 HydrophobicContact CE1-CD1 4.08Å; F24-I27 PolarHBondContact O-N 2.9Å; F24-V28 HydrophobicContact CB-CG2 4.28Å; F24-V28 WeakPolarHBondContact O-CB 3.38Å; F24-V28 WeakPolarHBondContact O-CG2 3.25Å; F24-V28 PolarHBondContact O-N 2.85Å; F24-Y40 HydrophobicContact CD1-CE1 4.19Å; F24-Y40 HydrophobicContact CE1-CE1 4.19Å; F24-P42 HydrophobicContact CB-CB 4.46Å; F24-P42 HydrophobicContact CB-CG 4.21Å; F24-P42 HydrophobicContact CD2-CB 4.26Å; F24-P42 HydrophobicContact CG-CB 4.34Å; F24-I60 HydrophobicContact CE2-CD1 4.48Å; F24-I60 HydrophobicContact CE2-CG2 4.29Å; F24-M62 HydrophobicContact CD1-CE 3.94Å; F24-M62 HydrophobicContact CD1-SD 4.21Å; F24-M62 HydrophobicContact CD2-SD 4.2Å; F24-M62 HydrophobicContact CE1-CE 3.68Å; F24-M62 HydrophobicContact CE1-CG 4.49Å; F24-M62 HydrophobicContact CE1-SD 3.72Å; F24-M62 HydrophobicContact CE2-SD 3.67Å; F24-M62 HydrophobicContact CG-SD 4.45Å; F24-M62 HydrophobicContact CZ-CE 4.04Å; F24-M62 HydrophobicContact CZ-CG 4.04Å; F24-M62 HydrophobicContact CZ-SD 3.42Å; F24-M62 WeakPolarHBondContact CZ-SD 3.2Å; F24-Y84 HydrophobicContact CD1-CE2 4.09Å; F24-Y84 HydrophobicContact CD2-CE2 4.28Å; F24-Y84 AromaticContact CE1-CE2 3.82Å; F24-Y84 HydrophobicContact CE1-CE2 3.82Å; F24-Y84 AromaticContact CE1-CZ 3.84Å; F24-Y84 HydrophobicContact CE2-CE2 4.06Å; F24-Y84 AromaticContact CE2-CZ 3.99Å; F24-Y84 VanDerWaalsContact CE2-OH 3.29Å; F24-Y84 WeakPolarHBondContact CE2-OH 3.28Å; F24-Y84 HydrophobicContact CG-CE2 4.29Å; F24-Y84 HydrophobicContact CZ-CE1 4.41Å; F24-Y84 AromaticContact CZ-CE2 3.8Å; F24-Y84 HydrophobicContact CZ-CE2 3.8Å; F24-Y84 AromaticContact CZ-CZ 3.51Å; F24-Y84 WeakPolarHBondContact CZ-OH 3.42Å
25A98.5Very high98.6Very high71 Ų7162.8 Ų62.859%0.58732%0.322SS*.Hα-helixtrans-54.9-29.4176.700000113.1L21 Q23L21-A25 PolarHBondContact O-N 2.81Å; Q23-A25 VanDerWaalsContact C-N 3.32Å; Q23-A25 PolarHBondContact O-N 3.43Å
26K98.3Very high98.6Very high129 Ų12957.2 Ų57.256%0.56130%0.299SS*.Hα-helixtrans-80.2-41.2176.5-60.2169-164.61670112.7D22 Q23 F24D22-K26 WeakPolarHBondContact O-CE 3.37Å; D22-K26 WeakPolarHBondContact O-CG 3.32Å; Q23-K26 VanDerWaalsContact NE2-NZ 3.17Å; Q23-K26 WeakPolarHBondContact O-CB 3.39Å; Q23-K26 PolarHBondContact O-N 2.83Å; Q23-K26 VanDerWaalsContact O-N 3.08Å; F24-K26 PolarHBondContact O-N 2.76Å
27I98.4Very high98.6Very high13 Ų1356.1 Ų56.17%0.06730%0.296CS..Hα-helixtrans-88.7-30.7-172.463.6163.4000113.4Q23 F24 T30 V31 H80 M81 Y84Q23-I27 PolarHBondContact O-N 2.99Å; F24-I27 HydrophobicContact CD1-CD1 3.83Å; F24-I27 HydrophobicContact CD1-CG1 4.07Å; F24-I27 HydrophobicContact CE1-CD1 4.08Å; F24-I27 PolarHBondContact O-N 2.9Å; I27-T30 WeakPolarHBondContact O-CA 3.48Å; I27-T30 WeakPolarHBondContact O-CB 3.37Å; I27-T30 PolarHBondContact O-N 2.84Å; I27-V31 HydrophobicContact CB-CG2 4.4Å; I27-V31 WeakPolarHBondContact O-CG2 3.38Å; I27-V31 PolarHBondContact O-N 3.44Å; I27-H80 HydrophobicContact CG2-CB 4.33Å; I27-M81 HydrophobicContact CD1-SD 3.68Å; I27-Y84 HydrophobicContact CD1-CD2 3.72Å; I27-Y84 HydrophobicContact CD1-CE2 4.37Å; I27-Y84 HydrophobicContact CD1-CG 3.84Å
28V98.8Very high98.6Very high24 Ų2459.1 Ų59.115%0.14531%0.311CS..Hα-helixtrans-51.1-47.5-176.91660000112.5F24 T30 V31 L32 Y40 P42F24-V28 HydrophobicContact CB-CG2 4.28Å; F24-V28 WeakPolarHBondContact O-CB 3.38Å; F24-V28 WeakPolarHBondContact O-CG2 3.25Å; F24-V28 PolarHBondContact O-N 2.85Å; V28-T30 PolarHBondContact O-N 2.84Å; V28-V31 PolarHBondContact O-N 2.91Å; V28-L32 HydrophobicContact CG1-CD1 3.77Å; V28-L32 HydrophobicContact CG1-CG 4.27Å; V28-L32 WeakPolarHBondContact O-CB 3.25Å; V28-L32 VanDerWaalsContact O-CG 3.31Å; V28-L32 WeakPolarHBondContact O-CG 3.21Å; V28-L32 PolarHBondContact O-N 2.59Å; V28-Y40 HydrophobicContact CG2-CD1 3.9Å; V28-Y40 HydrophobicContact CG2-CE1 4.16Å; V28-P42 HydrophobicContact CG2-CG 4.4Å
29P98.7Very high98.6Very high68 Ų6855.7 Ų55.744%0.44230%0.3SS..Hα-helixtrans-64.3-23.6178.4-22.534.6000114.5K33P29-K33 WeakPolarHBondContact O-CD 3.49Å; P29-K33 WeakPolarHBondContact O-CE 3.49Å; P29-K33 WeakPolarHBondContact O-CG 3.26Å
30T98.7Very high98.6Very high71 Ų7154.7 Ų54.744%0.43629%0.29SS..Hα-helixtrans-82.3-45.9176.4-56.40000110.1I27 V28 L32 K33I27-T30 WeakPolarHBondContact O-CA 3.48Å; I27-T30 WeakPolarHBondContact O-CB 3.37Å; I27-T30 PolarHBondContact O-N 2.84Å; V28-T30 PolarHBondContact O-N 2.84Å; T30-L32 VanDerWaalsContact C-N 3.32Å; T30-L32 PolarHBondContact O-N 2.97Å; T30-K33 WeakPolarHBondContact O-CB 3.47Å; T30-K33 PolarHBondContact O-N 2.93Å
31V98.8Very high98.6Very high0 Ų056.4 Ų56.40%030%0.304CS..Hα-helixtrans-61.8-40.3179.6178.90000111.6I27 V28 K33 E34 C37 Y40 W66 H80I27-V31 HydrophobicContact CB-CG2 4.4Å; I27-V31 WeakPolarHBondContact O-CG2 3.38Å; I27-V31 PolarHBondContact O-N 3.44Å; V28-V31 PolarHBondContact O-N 2.91Å; V31-K33 PolarHBondContact O-N 2.86Å; V31-E34 WeakPolarHBondContact CA-OE1 3.41Å; V31-E34 VanDerWaalsContact O-CB 3.31Å; V31-E34 WeakPolarHBondContact O-CB 3.42Å; V31-E34 PolarHBondContact O-N 3.06Å; V31-C37 WeakPolarHBondContact O-CB 3.04Å; V31-C37 PolarHBondContact O-SG 3.15Å; V31-Y40 HydrophobicContact CB-CD1 3.98Å; V31-Y40 HydrophobicContact CB-CE1 4.28Å; V31-Y40 HydrophobicContact CB-CG 4.16Å; V31-Y40 HydrophobicContact CG1-CD1 3.78Å; V31-Y40 HydrophobicContact CG1-CD2 3.58Å; V31-Y40 HydrophobicContact CG1-CE1 4.14Å; V31-Y40 HydrophobicContact CG1-CE2 3.93Å; V31-Y40 HydrophobicContact CG1-CG 3.49Å; V31-Y40 VanDerWaalsContact CG1-CG 3.49Å; V31-Y40 HydrophobicContact CG2-CD1 4.35Å; V31-Y40 HydrophobicContact CG2-CE1 4.16Å; V31-W66 HydrophobicContact CG1-CH2 4.07Å; V31-W66 HydrophobicContact CG1-CZ2 4.09Å; V31-H80 WeakPolarHBondContact CG2-NE2 3.39Å
32L98.7Very high98.6Very high81 Ų8156.9 Ų56.942%0.42431%0.309SS..THydrogen-bonded Turntrans-63.3-10.9176.2-72.4172.6000114.2V28 T30V28-L32 HydrophobicContact CG1-CD1 3.77Å; V28-L32 HydrophobicContact CG1-CG 4.27Å; V28-L32 WeakPolarHBondContact O-CB 3.25Å; V28-L32 VanDerWaalsContact O-CG 3.31Å; V28-L32 WeakPolarHBondContact O-CG 3.21Å; V28-L32 PolarHBondContact O-N 2.59Å; T30-L32 VanDerWaalsContact C-N 3.32Å; T30-L32 PolarHBondContact O-N 2.97Å
33K98.6Very high98.6Very high177 Ų17757.2 Ų57.277%0.7731%0.309SS*.THydrogen-bonded Turntrans-102.2-2.2175.5-62.3173.6-175.2174.50112.7P29 T30 V31P29-K33 WeakPolarHBondContact O-CD 3.49Å; P29-K33 WeakPolarHBondContact O-CE 3.49Å; P29-K33 WeakPolarHBondContact O-CG 3.26Å; T30-K33 WeakPolarHBondContact O-CB 3.47Å; T30-K33 PolarHBondContact O-N 2.93Å; V31-K33 PolarHBondContact O-N 2.86Å
34E98.7Very high98.6Very high34 Ų3458.2 Ų58.216%0.15932%0.318CS..SBendtrans-67.5148.8176.1-68.8180-137.400111.2V31 G36 C37 W66 H75 H80V31-E34 WeakPolarHBondContact CA-OE1 3.41Å; V31-E34 VanDerWaalsContact O-CB 3.31Å; V31-E34 WeakPolarHBondContact O-CB 3.42Å; V31-E34 PolarHBondContact O-N 3.06Å; E34-G36 PolarHBondContact O-N 2.85Å; E34-C37 HydrophobicContact CB-CB 4.12Å; E34-C37 WeakPolarHBondContact O-CB 3.29Å; E34-C37 PolarHBondContact O-N 2.85Å; E34-W66 HydrophobicContact CB-CH2 4.41Å; E34-W66 HydrophobicContact CB-CZ3 4.38Å; E34-H75 IonicContact OE1-CE1 3.86Å; E34-H75 IonicContact OE1-ND1 3.55Å; E34-H75 PolarHBondContact OE1-ND1 3.36Å; E34-H75 VanDerWaalsContact OE2-CA 3.23Å; E34-H75 WeakPolarHBondContact OE2-CA 3.47Å; E34-H75 WeakPolarHBondContact OE2-CB 3.46Å; E34-H75 IonicContact OE2-CG 3.84Å; E34-H75 IonicContact OE2-ND1 2.97Å; E34-H75 PolarHBondContact OE2-ND1 2.99Å; E34-H75 VanDerWaalsContact OE2-ND1 3.15Å; E34-H80 IonicContact OE1-CE1 3.68Å; E34-H80 PolarHBondContact OE1-CE1 3.11Å; E34-H80 IonicContact OE1-NE2 3.15Å; E34-H80 PolarHBondContact OE1-NE2 3.09Å
35E98.5Very high98.5Very high161 Ų16160.4 Ų60.475%0.75233%0.33SS*.THydrogen-bonded Turntrans-60.9132.4174.6-169.2178.4-178.900110.2C37 H71E35-C37 PolarHBondContact O-N 2.77Å; E35-H71 PolarHBondContact O-CD2 3.4Å
36G98.5Very high98.5Very high10 Ų1061.3 Ų61.310%0.10333%0.331CS..THydrogen-bonded Turntrans71.94.1-178.100000115.4E34 H38 W66 E67E34-G36 PolarHBondContact O-N 2.85Å; G36-H38 PolarHBondContact O-CD2 2.98Å; G36-H38 VanDerWaalsContact O-CD2 3.22Å; G36-W66 CarbonylContact O-C 3.51Å; G36-W66 WeakPolarHBondContact O-CA 3.41Å; G36-E67 PolarHBondContact O-N 3.41Å
37C98.7Very high98.3Very high15 Ų1559.4 Ų59.410%0.10134%0.339CS..EExtended strand (participates in β ladder)trans-84.1121171-174.50000110.4V31 E34 E35 W66V31-C37 WeakPolarHBondContact O-CB 3.04Å; V31-C37 PolarHBondContact O-SG 3.15Å; E34-C37 HydrophobicContact CB-CB 4.12Å; E34-C37 WeakPolarHBondContact O-CB 3.29Å; E34-C37 PolarHBondContact O-N 2.85Å; E35-C37 PolarHBondContact O-N 2.77Å; C37-W66 HydrophobicContact CB-CE3 4.07Å; C37-W66 HydrophobicContact CB-CH2 3.77Å; C37-W66 HydrophobicContact CB-CZ3 3.53Å
38H98.4Very high98.2Very high106 Ų10661.5 Ų61.549%0.49136%0.358SS..EExtended strand (participates in β ladder)trans-116.3-2.5179.7-62.6-80.8000113.3M1 G36 Q65 E67M1-H38 HydrophobicContact CE-CB 4.16Å; M1-H38 WeakPolarHBondContact CE-CD2 3.4Å; M1-H38 HydrophobicContact SD-CB 4.19Å; M1-H38 VanDerWaalsContact SD-CD2 3.56Å; G36-H38 PolarHBondContact O-CD2 2.98Å; G36-H38 VanDerWaalsContact O-CD2 3.22Å; H38-Q65 HydrophobicContact CB-CB 3.92Å; H38-Q65 PolarHBondContact N-O 3.03Å; H38-E67 IonicContact NE2-OE2 2.85Å
39G98.5Very high98Very high18 Ų1864.3 Ų64.319%0.18639%0.392CS..EExtended strand (participates in β ladder)trans177.4138.3178.300000110.3E64 Q65G39-E64 CarbonylContact O-C 3.51Å; G39-E64 WeakPolarHBondContact O-CA 3.39Å; G39-Q65 PolarHBondContact N-O 3.21Å; G39-Q65 PolarHBondContact O-N 3.27Å
40Y98.7Very high98Very high11 Ų1163.8 Ų63.84%0.04339%0.388CS..EExtended strand (participates in β ladder)trans-15698.3179.8-167.2-97.1000108.8F24 V28 V31 M62 E64 W66 H75F24-Y40 HydrophobicContact CD1-CE1 4.19Å; F24-Y40 HydrophobicContact CE1-CE1 4.19Å; V28-Y40 HydrophobicContact CG2-CD1 3.9Å; V28-Y40 HydrophobicContact CG2-CE1 4.16Å; V31-Y40 HydrophobicContact CB-CD1 3.98Å; V31-Y40 HydrophobicContact CB-CE1 4.28Å; V31-Y40 HydrophobicContact CB-CG 4.16Å; V31-Y40 HydrophobicContact CG1-CD1 3.78Å; V31-Y40 HydrophobicContact CG1-CD2 3.58Å; V31-Y40 HydrophobicContact CG1-CE1 4.14Å; V31-Y40 HydrophobicContact CG1-CE2 3.93Å; V31-Y40 HydrophobicContact CG1-CG 3.49Å; V31-Y40 VanDerWaalsContact CG1-CG 3.49Å; V31-Y40 HydrophobicContact CG2-CD1 4.35Å; V31-Y40 HydrophobicContact CG2-CE1 4.16Å; Y40-M62 HydrophobicContact CD1-CE 3.94Å; Y40-M62 HydrophobicContact CE1-CE 3.51Å; Y40-M62 HydrophobicContact CE2-CE 4.31Å; Y40-M62 HydrophobicContact CG-CE 4.49Å; Y40-E64 HydrophobicContact CD2-CB 4.08Å; Y40-E64 HydrophobicContact CD2-CG 3.6Å; Y40-E64 HydrophobicContact CE2-CG 3.86Å; Y40-E64 VanDerWaalsContact CE2-OE1 3.26Å; Y40-E64 WeakPolarHBondContact CE2-OE1 3.43Å; Y40-W66 HydrophobicContact CD2-CZ2 4.29Å; Y40-H75 AromaticContact CE2-NE2 3.76Å
41A98.7Very high97.9Very high35 Ų3566.6 Ų66.629%0.28941%0.41SS..EExtended strand (participates in β ladder)trans-134.2119.6-168.800000112.2M43 M62 I63A41-M43 HydrophobicContact CB-CE 3.59Å; A41-M62 WeakPolarHBondContact O-CA 3.39Å; A41-I63 PolarHBondContact N-O 3.01Å; A41-I63 PolarHBondContact O-N 2.99Å
42P98.7Very high97.8Very high44 Ų4474.8 Ų74.829%0.28645%0.446SS..EExtended strand (participates in β ladder)trans-77.2129.5170.730.5-32.6000110.9L21 F24 V28 I60 M62L21-P42 HydrophobicContact CD2-CB 4.16Å; F24-P42 HydrophobicContact CB-CB 4.46Å; F24-P42 HydrophobicContact CB-CG 4.21Å; F24-P42 HydrophobicContact CD2-CB 4.26Å; F24-P42 HydrophobicContact CG-CB 4.34Å; V28-P42 HydrophobicContact CG2-CG 4.4Å; P42-I60 HydrophobicContact CB-CG2 3.94Å; P42-M62 WeakPolarHBondContact CA-SD 3.36Å; P42-M62 HydrophobicContact CB-CE 3.95Å; P42-M62 HydrophobicContact CB-SD 3.56Å; P42-M62 VanDerWaalsContact CB-SD 3.56Å; P42-M62 HydrophobicContact CG-CE 4.48Å
43M98.7Very high97.7Very high85 Ų8573.6 Ų73.642%0.41944%0.438SS..EExtended strand (participates in β ladder)trans-118.7148.2178.1-53.9-60.5-177.400110.7A41 I60 V61 I63A41-M43 HydrophobicContact CB-CE 3.59Å; M43-I60 CarbonylContact O-C 3.57Å; M43-I60 WeakPolarHBondContact O-CA 3.49Å; M43-V61 WeakPolarHBondContact CA-O 3.43Å; M43-V61 HydrophobicContact CB-CB 4.44Å; M43-V61 VanDerWaalsContact CB-O 3.28Å; M43-V61 WeakPolarHBondContact CB-O 3.24Å; M43-V61 PolarHBondContact N-O 2.78Å; M43-V61 PolarHBondContact O-N 3.22Å; M43-I63 HydrophobicContact CE-CD1 4.1Å; M43-I63 HydrophobicContact CG-CD1 3.84Å; M43-I63 HydrophobicContact CG-CG1 4.09Å
44V98.3Very high97.7Very high69 Ų6970.5 Ų70.542%0.41844%0.439SS..  trans-131.7165.1172.5-64.30000109.2L21 C46 I60L21-V44 HydrophobicContact CD1-CG1 4.04Å; L21-V44 HydrophobicContact CD2-CG1 4.21Å; V44-C46 PolarHBondContact O-N 2.98Å; V44-I60 HydrophobicContact CG1-CG1 4.24Å
45D97.4Very high97.6Very high47 Ų4774.1 Ų74.125%0.25146%0.457SS..  trans-55.2130.8175.8-70.2-34.7000112.3M55 A56D45-M55 HydrophobicContact CB-CE 3.81Å; D45-M55 WeakPolarHBondContact OD2-CA 3.44Å; D45-M55 WeakPolarHBondContact OD2-CB 3.12Å; D45-A56 PolarHBondContact OD2-N 2.84Å
46C97.2Very high97.5Very high89 Ų8968 Ų6860%0.60143%0.434SS*.  trans-82.8131.5161.5-176.20000108.9V44 A48 Q53V44-C46 PolarHBondContact O-N 2.98Å; C46-A48 PolarHBondContact O-N 3.14Å; C46-Q53 PolarHBondContact O-NE2 3.34Å; C46-Q53 PolarHBondContact O-OE1 3.49Å; C46-Q53 VanDerWaalsContact O-OE1 3.1Å
47A94.7Very high97.4Very high90 Ų9070.9 Ų70.974%0.74445%0.451SS*.  trans-78.566.9174.400000111G49A47-G49 VanDerWaalsContact C-N 3.27Å; A47-G49 PolarHBondContact O-N 3.27Å
48A96.1Very high97.3Very high56 Ų5672.4 Ų72.446%0.46346%0.458SS..  trans-74.7-14.2-171.700000114C46 V50C46-A48 PolarHBondContact O-N 3.14Å; A48-V50 VanDerWaalsContact C-N 3.3Å; A48-V50 HydrophobicContact CB-CG2 4.19Å; A48-V50 PolarHBondContact O-N 3.42Å
49G95.4Very high97.3Very high83 Ų8367.9 Ų67.986%0.85644%0.439SS*.  trans71.521.5175.900000114.6A47A47-G49 VanDerWaalsContact C-N 3.27Å; A47-G49 PolarHBondContact O-N 3.27Å
50V97.7Very high97.3Very high58 Ų5867 Ų6735%0.35243%0.43SS..  trans-106.2141.1-179.3-63.10000111.2A48 F52 Q53A48-V50 VanDerWaalsContact C-N 3.3Å; A48-V50 HydrophobicContact CB-CG2 4.19Å; A48-V50 PolarHBondContact O-N 3.42Å; V50-F52 VanDerWaalsContact C-N 3.25Å; V50-F52 HydrophobicContact CB-CD1 3.98Å; V50-F52 HydrophobicContact CB-CE1 3.57Å; V50-F52 HydrophobicContact CB-CE2 4.36Å; V50-F52 HydrophobicContact CB-CZ 3.79Å; V50-F52 HydrophobicContact CG1-CE1 4Å; V50-F52 HydrophobicContact CG1-CZ 4.09Å; V50-F52 HydrophobicContact CG2-CD1 4.21Å; V50-F52 HydrophobicContact CG2-CD2 4.08Å; V50-F52 HydrophobicContact CG2-CE1 3.83Å; V50-F52 HydrophobicContact CG2-CE2 3.67Å; V50-F52 HydrophobicContact CG2-CG 4.33Å; V50-F52 HydrophobicContact CG2-CZ 3.54Å; V50-F52 PolarHBondContact O-N 3.17Å; V50-Q53 HydrophobicContact CG2-CB 3.81Å; V50-Q53 PolarHBondContact O-N 3.4Å
51S96.8Very high97.4Very high130 Ų13068.8 Ų68.891%0.90944%0.442SS*.THydrogen-bonded Turntrans-71.4-16.5-17461.10000114.7
52F96.5Very high97.4Very high172 Ų17267.1 Ų67.175%0.75443%0.428SS*.THydrogen-bonded Turntrans-91-3-17960.3-101.2000113.4V50V50-F52 VanDerWaalsContact C-N 3.25Å; V50-F52 HydrophobicContact CB-CD1 3.98Å; V50-F52 HydrophobicContact CB-CE1 3.57Å; V50-F52 HydrophobicContact CB-CE2 4.36Å; V50-F52 HydrophobicContact CB-CZ 3.79Å; V50-F52 HydrophobicContact CG1-CE1 4Å; V50-F52 HydrophobicContact CG1-CZ 4.09Å; V50-F52 HydrophobicContact CG2-CD1 4.21Å; V50-F52 HydrophobicContact CG2-CD2 4.08Å; V50-F52 HydrophobicContact CG2-CE1 3.83Å; V50-F52 HydrophobicContact CG2-CE2 3.67Å; V50-F52 HydrophobicContact CG2-CG 4.33Å; V50-F52 HydrophobicContact CG2-CZ 3.54Å; V50-F52 PolarHBondContact O-N 3.17Å
53Q97.5Very high97.4Very high56 Ų5668.6 Ų68.626%0.26243%0.433SS..  trans-83.9128.9176.6177.81785.900110.5C46 V50 M55C46-Q53 PolarHBondContact O-NE2 3.34Å; C46-Q53 PolarHBondContact O-OE1 3.49Å; C46-Q53 VanDerWaalsContact O-OE1 3.1Å; V50-Q53 HydrophobicContact CG2-CB 3.81Å; V50-Q53 PolarHBondContact O-N 3.4Å; Q53-M55 HydrophobicContact CG-CG 4.15Å
54S97.2Very high97.4Very high112 Ų11265.1 Ų65.178%0.78342%0.415SS*.  trans-84.6141.6161.2-56.70000109.8
55M96.7Very high97.4Very high109 Ų10964.9 Ų64.954%0.53741%0.41SS..  trans-124.3144.9178.6-65.1-17676.900110.1D45 Q53D45-M55 HydrophobicContact CB-CE 3.81Å; D45-M55 WeakPolarHBondContact OD2-CA 3.44Å; D45-M55 WeakPolarHBondContact OD2-CB 3.12Å; Q53-M55 HydrophobicContact CG-CG 4.15Å
56A96.7Very high97.5Very high33 Ų3362.6 Ų62.627%0.27340%0.398SS..  trans-134.980172.900000108D45 D58 S59D45-A56 PolarHBondContact OD2-N 2.84Å; A56-D58 PolarHBondContact O-N 2.86Å; A56-D58 VanDerWaalsContact O-N 3.09Å; A56-S59 WeakPolarHBondContact O-CB 3.47Å; A56-S59 PolarHBondContact O-N 2.96Å
57P96.3Very high97.5Very high71 Ų7163.2 Ų63.246%0.46139%0.391SS..THydrogen-bonded Turntrans-63.9-23.7-167.924.1-34.9000113.9R17 S59R17-P57 VanDerWaalsContact CD-O 3.32Å; R17-P57 WeakPolarHBondContact CD-O 3.44Å; R17-P57 PolarHBondContact NH1-O 2.72Å; P57-S59 VanDerWaalsContact C-N 3.32Å
58D97.9Very high97.7Very high46 Ų4660.9 Ų60.925%0.24637%0.37CS..THydrogen-bonded Turntrans-97.229.2175.7-56.5-54.3000111.6T10 G13 A56T10-D58 PolarHBondContact N-O 2.82Å; T10-D58 PolarHBondContact OG1-O 2.81Å; G13-D58 PolarHBondContact N-OD1 3.47Å; A56-D58 PolarHBondContact O-N 2.86Å; A56-D58 VanDerWaalsContact O-N 3.09Å
59S98.4Very high97.8Very high12 Ų1262 Ų628%0.08437%0.367CS..EExtended strand (participates in β ladder)trans-132.3148.3179.6-60.10000112.2I8 A56 P57I8-S59 WeakPolarHBondContact O-CA 3.13Å; A56-S59 WeakPolarHBondContact O-CB 3.47Å; A56-S59 PolarHBondContact O-N 2.96Å; P57-S59 VanDerWaalsContact C-N 3.32Å
60I98.8Very high98Very high0 Ų060.9 Ų60.90%035%0.349CS..EExtended strand (participates in β ladder)trans-121.2129.8172.6-59.4164.3000106.2I8 R17 V20 L21 F24 P42 M43 V44 M62I8-I60 PolarHBondContact N-O 2.78Å; I8-I60 PolarHBondContact O-N 3.32Å; R17-I60 HydrophobicContact CG-CD1 3.91Å; R17-I60 HydrophobicContact CG-CG1 3.73Å; V20-I60 HydrophobicContact CB-CD1 3.76Å; V20-I60 HydrophobicContact CG1-CD1 3.61Å; L21-I60 HydrophobicContact CD2-CD1 3.78Å; L21-I60 HydrophobicContact CD2-CG1 4.06Å; L21-I60 HydrophobicContact CD2-CG2 4.1Å; L21-I60 HydrophobicContact CG-CD1 3.75Å; L21-I60 HydrophobicContact CG-CG1 4.3Å; F24-I60 HydrophobicContact CE2-CD1 4.48Å; F24-I60 HydrophobicContact CE2-CG2 4.29Å; P42-I60 HydrophobicContact CB-CG2 3.94Å; M43-I60 CarbonylContact O-C 3.57Å; M43-I60 WeakPolarHBondContact O-CA 3.49Å; V44-I60 HydrophobicContact CG1-CG1 4.24Å; I60-M62 HydrophobicContact CG2-SD 4.08Å
61V98.8Very high98Very high47 Ų4759.7 Ų59.729%0.28534%0.34SS..EExtended strand (participates in β ladder)trans-105.5114.5176.1-179.90000108.6I5 E7 M43 I63I5-V61 HydrophobicContact CG2-CG1 3.7Å; E7-V61 HydrophobicContact CG-CG2 4.4Å; M43-V61 WeakPolarHBondContact CA-O 3.43Å; M43-V61 HydrophobicContact CB-CB 4.44Å; M43-V61 VanDerWaalsContact CB-O 3.28Å; M43-V61 WeakPolarHBondContact CB-O 3.24Å; M43-V61 PolarHBondContact N-O 2.78Å; M43-V61 PolarHBondContact O-N 3.22Å; V61-I63 HydrophobicContact CG1-CG1 4.45Å
62M98.8Very high98.1Very high1 Ų154 Ų541%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-80.3129.6169.4-55-55.1-61.900109.3I5 A6 I8 F24 Y40 A41 P42 I60 E64I5-M62 WeakPolarHBondContact CA-O 3.41Å; A6-M62 HydrophobicContact CB-CB 4.08Å; A6-M62 HydrophobicContact CB-CG 4.42Å; A6-M62 PolarHBondContact N-O 2.9Å; A6-M62 PolarHBondContact O-N 2.73Å; I8-M62 HydrophobicContact CD1-CG 3.88Å; F24-M62 HydrophobicContact CD1-CE 3.94Å; F24-M62 HydrophobicContact CD1-SD 4.21Å; F24-M62 HydrophobicContact CD2-SD 4.2Å; F24-M62 HydrophobicContact CE1-CE 3.68Å; F24-M62 HydrophobicContact CE1-CG 4.49Å; F24-M62 HydrophobicContact CE1-SD 3.72Å; F24-M62 HydrophobicContact CE2-SD 3.67Å; F24-M62 HydrophobicContact CG-SD 4.45Å; F24-M62 HydrophobicContact CZ-CE 4.04Å; F24-M62 HydrophobicContact CZ-CG 4.04Å; F24-M62 HydrophobicContact CZ-SD 3.42Å; F24-M62 WeakPolarHBondContact CZ-SD 3.2Å; Y40-M62 HydrophobicContact CD1-CE 3.94Å; Y40-M62 HydrophobicContact CE1-CE 3.51Å; Y40-M62 HydrophobicContact CE2-CE 4.31Å; Y40-M62 HydrophobicContact CG-CE 4.49Å; A41-M62 WeakPolarHBondContact O-CA 3.39Å; P42-M62 WeakPolarHBondContact CA-SD 3.36Å; P42-M62 HydrophobicContact CB-CE 3.95Å; P42-M62 HydrophobicContact CB-SD 3.56Å; P42-M62 VanDerWaalsContact CB-SD 3.56Å; P42-M62 HydrophobicContact CG-CE 4.48Å; I60-M62 HydrophobicContact CG2-SD 4.08Å; M62-E64 HydrophobicContact CB-CG 4.05Å; M62-E64 WeakPolarHBondContact CB-OE1 3.33Å
63I98.8Very high98.2Very high75 Ų7551.5 Ų51.539%0.38529%0.29SS..EExtended strand (participates in β ladder)trans-111.1117.2167.9-55.1179.1000107.1A41 M43 V61A41-I63 PolarHBondContact N-O 3.01Å; A41-I63 PolarHBondContact O-N 2.99Å; M43-I63 HydrophobicContact CE-CD1 4.1Å; M43-I63 HydrophobicContact CG-CD1 3.84Å; M43-I63 HydrophobicContact CG-CG1 4.09Å; V61-I63 HydrophobicContact CG1-CG1 4.45Å
64E98.8Very high98.2Very high11 Ų1151.7 Ų51.75%0.05130%0.301CS..EExtended strand (participates in β ladder)trans-129.9150.5-173.3-35.3174.5-173.700111.3T3 V4 G39 Y40 M62 W66T3-E64 CarbonylContact C-O 3.6Å; T3-E64 WeakPolarHBondContact CA-O 3.32Å; V4-E64 HydrophobicContact CB-CB 4.06Å; V4-E64 HydrophobicContact CB-CG 4.38Å; V4-E64 PolarHBondContact N-O 3.38Å; V4-E64 PolarHBondContact O-N 3.1Å; G39-E64 CarbonylContact O-C 3.51Å; G39-E64 WeakPolarHBondContact O-CA 3.39Å; Y40-E64 HydrophobicContact CD2-CB 4.08Å; Y40-E64 HydrophobicContact CD2-CG 3.6Å; Y40-E64 HydrophobicContact CE2-CG 3.86Å; Y40-E64 VanDerWaalsContact CE2-OE1 3.26Å; Y40-E64 WeakPolarHBondContact CE2-OE1 3.43Å; M62-E64 HydrophobicContact CB-CG 4.05Å; M62-E64 WeakPolarHBondContact CB-OE1 3.33Å; E64-W66 PolarHBondContact OE2-NE1 3.29Å
65Q98.9Very high98.3Very high64 Ų6446.5 Ų46.530%0.29927%0.265SS..EExtended strand (participates in β ladder)trans-128.6115.9178.2-67.2-74.995.500108.7M1 L2 T3 H38 G39M1-Q65 HydrophobicContact SD-CB 4.28Å; L2-Q65 WeakPolarHBondContact O-CA 3.43Å; T3-Q65 PolarHBondContact OG1-OE1 3.34Å; H38-Q65 HydrophobicContact CB-CB 3.92Å; H38-Q65 PolarHBondContact N-O 3.03Å; G39-Q65 PolarHBondContact N-O 3.21Å; G39-Q65 PolarHBondContact O-N 3.27Å
66W98.8Very high98.3Very high0 Ų045.3 Ų45.30%026%0.26CS..EExtended strand (participates in β ladder)trans-122.1140-176.7-69.599.6000111.4M1 L2 V31 E34 G36 C37 Y40 E64 S68 H71 L72 H75M1-W66 CarbonylContact C-O 3.44Å; M1-W66 VanDerWaalsContact CA-O 3.24Å; M1-W66 WeakPolarHBondContact CA-O 3.38Å; M1-W66 VanDerWaalsContact SD-C 3.54Å; L2-W66 PolarHBondContact N-O 3.27Å; L2-W66 PolarHBondContact O-N 3.4Å; V31-W66 HydrophobicContact CG1-CH2 4.07Å; V31-W66 HydrophobicContact CG1-CZ2 4.09Å; E34-W66 HydrophobicContact CB-CH2 4.41Å; E34-W66 HydrophobicContact CB-CZ3 4.38Å; G36-W66 CarbonylContact O-C 3.51Å; G36-W66 WeakPolarHBondContact O-CA 3.41Å; C37-W66 HydrophobicContact CB-CE3 4.07Å; C37-W66 HydrophobicContact CB-CH2 3.77Å; C37-W66 HydrophobicContact CB-CZ3 3.53Å; Y40-W66 HydrophobicContact CD2-CZ2 4.29Å; E64-W66 PolarHBondContact OE2-NE1 3.29Å; W66-S68 VanDerWaalsContact C-N 3.34Å; W66-S68 PolarHBondContact O-N 3.18Å; W66-H71 HydrophobicContact CE3-CB 3.98Å; W66-L72 HydrophobicContact CB-CB 4.42Å; W66-L72 HydrophobicContact CD2-CB 4.37Å; W66-L72 HydrophobicContact CD2-CD1 4.44Å; W66-L72 HydrophobicContact CG-CB 4.12Å; W66-L72 HydrophobicContact CG-CD1 4.35Å; W66-H75 HydrophobicContact CH2-CB 3.36Å; W66-H75 AromaticContact CH2-CG 3.4Å; W66-H75 VanDerWaalsContact CH2-CG 3.4Å; W66-H75 AromaticContact CH2-ND1 3.62Å; W66-H75 HydrophobicContact CZ2-CB 3.72Å; W66-H75 AromaticContact CZ2-CD2 3.64Å; W66-H75 AromaticContact CZ2-CG 3.4Å; W66-H75 AromaticContact CZ2-ND1 3.76Å; W66-H75 HydrophobicContact CZ3-CB 3.93Å
67E98.7Very high98.4Very high101 Ų10149.7 Ų49.747%0.47228%0.275SS..SBendtrans-60.8-44.8-178.9-176.1174.914500111.6M1 G36 H38 H71M1-E67 WeakPolarHBondContact CA-O 3.41Å; M1-E67 PolarHBondContact N-O 2.98Å; G36-E67 PolarHBondContact O-N 3.41Å; H38-E67 IonicContact NE2-OE2 2.85Å; E67-H71 IonicContact OE1-CE1 2.58Å
68S98.5Very high98.5Very high41 Ų4147.4 Ų47.429%0.28726%0.26SS..  trans-151.8171.1-179.876.10000112.3W66 A70 H71 L72W66-S68 VanDerWaalsContact C-N 3.34Å; W66-S68 PolarHBondContact O-N 3.18Å; S68-A70 VanDerWaalsContact C-N 3.25Å; S68-A70 PolarHBondContact O-N 3.06Å; S68-A70 PolarHBondContact OG-N 3.41Å; S68-H71 PolarHBondContact O-N 3.5Å; S68-H71 PolarHBondContact OG-N 3.2Å; S68-H71 PolarHBondContact OG-ND1 2.86Å; S68-L72 PolarHBondContact O-N 3.08Å
69I98.3Very high98.5Very high81 Ų8150.5 Ų50.542%0.41528%0.282SS..Hα-helixtrans-63.2-33.7175.7-170.158.7000111.8L2 H71 L72 E73 I99L2-I69 HydrophobicContact CD1-CB 4.19Å; I69-H71 VanDerWaalsContact C-N 3.31Å; I69-H71 PolarHBondContact O-N 3.39Å; I69-L72 HydrophobicContact CD1-CB 4.49Å; I69-L72 HydrophobicContact CD1-CD2 4.02Å; I69-L72 PolarHBondContact O-N 2.87Å; I69-E73 HydrophobicContact CG1-CG 4.29Å; I69-E73 WeakPolarHBondContact O-CB 3.41Å; I69-E73 WeakPolarHBondContact O-CG 3.4Å; I69-E73 PolarHBondContact O-N 3.06Å; I69-I99 HydrophobicContact CD1-CD1 3.86Å
70A98.6Very high98.5Very high58 Ų5851.7 Ų51.748%0.47929%0.287SS..Hα-helixtrans-63.4-37.9178.200000112S68 A74S68-A70 VanDerWaalsContact C-N 3.25Å; S68-A70 PolarHBondContact O-N 3.06Å; S68-A70 PolarHBondContact OG-N 3.41Å; A70-A74 WeakPolarHBondContact O-CB 3.31Å; A70-A74 PolarHBondContact O-N 2.87Å
71H98.8Very high98.5Very high33 Ų3352.4 Ų52.415%0.15329%0.29CS..Hα-helixtrans-67.4-42.8174.7-65103.9000111.6E35 W66 E67 S68 I69 A74 H75E35-H71 PolarHBondContact O-CD2 3.4Å; W66-H71 HydrophobicContact CE3-CB 3.98Å; E67-H71 IonicContact OE1-CE1 2.58Å; S68-H71 PolarHBondContact O-N 3.5Å; S68-H71 PolarHBondContact OG-N 3.2Å; S68-H71 PolarHBondContact OG-ND1 2.86Å; I69-H71 VanDerWaalsContact C-N 3.31Å; I69-H71 PolarHBondContact O-N 3.39Å; H71-A74 PolarHBondContact O-N 3.22Å; H71-H75 WeakPolarHBondContact O-CB 3.37Å; H71-H75 PolarHBondContact O-N 3.32Å
72L98.6Very high98.4Very high12 Ų1255.7 Ų55.76%0.06330%0.3CS..Hα-helixtrans-62.7-42.6174.7175.961.6000112V4 W66 S68 I69 H75 L76 I99V4-L72 HydrophobicContact CG2-CD2 3.87Å; W66-L72 HydrophobicContact CB-CB 4.42Å; W66-L72 HydrophobicContact CD2-CB 4.37Å; W66-L72 HydrophobicContact CD2-CD1 4.44Å; W66-L72 HydrophobicContact CG-CB 4.12Å; W66-L72 HydrophobicContact CG-CD1 4.35Å; S68-L72 PolarHBondContact O-N 3.08Å; I69-L72 HydrophobicContact CD1-CB 4.49Å; I69-L72 HydrophobicContact CD1-CD2 4.02Å; I69-L72 PolarHBondContact O-N 2.87Å; L72-H75 WeakPolarHBondContact O-CB 3.47Å; L72-H75 PolarHBondContact O-N 3.41Å; L72-L76 WeakPolarHBondContact O-CG 3.37Å; L72-L76 PolarHBondContact O-N 3.29Å; L72-L76 VanDerWaalsContact O-N 3.15Å; L72-I99 HydrophobicContact CD2-CD1 3.75Å; L72-I99 HydrophobicContact CD2-CG1 4.26Å
73E98.4Very high98.4Very high119 Ų11958.5 Ų58.556%0.55632%0.324SS*.Hα-helixtrans-63.8-41.4176.4-73.9179.7148.600111.6I69 H75 L76 Q77I69-E73 HydrophobicContact CG1-CG 4.29Å; I69-E73 WeakPolarHBondContact O-CB 3.41Å; I69-E73 WeakPolarHBondContact O-CG 3.4Å; I69-E73 PolarHBondContact O-N 3.06Å; E73-H75 VanDerWaalsContact C-N 3.34Å; E73-H75 PolarHBondContact O-N 3.39Å; E73-L76 PolarHBondContact O-N 3.41Å; E73-Q77 WeakPolarHBondContact O-CG 3.34Å; E73-Q77 PolarHBondContact O-N 2.82Å
74A98.6Very high98.4Very high60 Ų6055.8 Ų55.850%0.49631%0.309SS..Hα-helixtrans-61.1-43.6174.900000111.7A70 H71 L76 Q77 T78A70-A74 WeakPolarHBondContact O-CB 3.31Å; A70-A74 PolarHBondContact O-N 2.87Å; H71-A74 PolarHBondContact O-N 3.22Å; A74-L76 PolarHBondContact O-N 2.81Å; A74-Q77 PolarHBondContact O-N 2.89Å; A74-T78 PolarHBondContact O-N 3.27Å
75H98.3Very high98.3Very high2 Ų258.4 Ų58.41%0.00933%0.328CS..Hα-helixtrans-53.7-48.8175.2166.967000112.4E34 Y40 W66 H71 L72 E73 Q77 T78 M81E34-H75 IonicContact OE1-CE1 3.86Å; E34-H75 IonicContact OE1-ND1 3.55Å; E34-H75 PolarHBondContact OE1-ND1 3.36Å; E34-H75 VanDerWaalsContact OE2-CA 3.23Å; E34-H75 WeakPolarHBondContact OE2-CA 3.47Å; E34-H75 WeakPolarHBondContact OE2-CB 3.46Å; E34-H75 IonicContact OE2-CG 3.84Å; E34-H75 IonicContact OE2-ND1 2.97Å; E34-H75 PolarHBondContact OE2-ND1 2.99Å; E34-H75 VanDerWaalsContact OE2-ND1 3.15Å; Y40-H75 AromaticContact CE2-NE2 3.76Å; W66-H75 HydrophobicContact CH2-CB 3.36Å; W66-H75 AromaticContact CH2-CG 3.4Å; W66-H75 VanDerWaalsContact CH2-CG 3.4Å; W66-H75 AromaticContact CH2-ND1 3.62Å; W66-H75 HydrophobicContact CZ2-CB 3.72Å; W66-H75 AromaticContact CZ2-CD2 3.64Å; W66-H75 AromaticContact CZ2-CG 3.4Å; W66-H75 AromaticContact CZ2-ND1 3.76Å; W66-H75 HydrophobicContact CZ3-CB 3.93Å; H71-H75 WeakPolarHBondContact O-CB 3.37Å; H71-H75 PolarHBondContact O-N 3.32Å; L72-H75 WeakPolarHBondContact O-CB 3.47Å; L72-H75 PolarHBondContact O-N 3.41Å; E73-H75 VanDerWaalsContact C-N 3.34Å; E73-H75 PolarHBondContact O-N 3.39Å; H75-Q77 PolarHBondContact O-N 2.58Å; H75-Q77 VanDerWaalsContact O-N 3.09Å; H75-T78 WeakPolarHBondContact O-CB 3.49Å; H75-T78 VanDerWaalsContact O-CG2 3.28Å; H75-T78 WeakPolarHBondContact O-CG2 3.36Å; H75-T78 PolarHBondContact O-N 3.15Å; H75-T78 VanDerWaalsContact O-N 3.08Å; H75-T78 PolarHBondContact O-OG1 3.26Å; H75-M81 WeakPolarHBondContact CE1-CG 3.45Å; H75-M81 PolarHBondContact CE1-SD 3.08Å; H75-M81 WeakPolarHBondContact O-CG 3.37Å
76L97.5Very high98.3Very high85 Ų8560.9 Ų60.945%0.44534%0.34SS..Hα-helixtrans-62-19.9179.1-64.5175.8000113.3L72 E73 A74L72-L76 WeakPolarHBondContact O-CG 3.37Å; L72-L76 PolarHBondContact O-N 3.29Å; L72-L76 VanDerWaalsContact O-N 3.15Å; E73-L76 PolarHBondContact O-N 3.41Å; A74-L76 PolarHBondContact O-N 2.81Å
77Q97.7Very high98.3Very high125 Ų12563.1 Ų63.158%0.58436%0.359SS*.THydrogen-bonded Turntrans-93.4-6179.3-62.4-53.1-43.100114.3E73 A74 H75 K82E73-Q77 WeakPolarHBondContact O-CG 3.34Å; E73-Q77 PolarHBondContact O-N 2.82Å; A74-Q77 PolarHBondContact O-N 2.89Å; H75-Q77 PolarHBondContact O-N 2.58Å; H75-Q77 VanDerWaalsContact O-N 3.09Å; Q77-K82 VanDerWaalsContact O-CE 3.26Å; Q77-K82 WeakPolarHBondContact O-CE 3.23Å; Q77-K82 PolarHBondContact O-NZ 2.93Å
78T98.4Very high98.2Very high23 Ų2358.6 Ų58.614%0.14134%0.338CS..SBendtrans-65.6153.1-174.963.10000112.7A74 H75 H80 M81 K82A74-T78 PolarHBondContact O-N 3.27Å; H75-T78 WeakPolarHBondContact O-CB 3.49Å; H75-T78 VanDerWaalsContact O-CG2 3.28Å; H75-T78 WeakPolarHBondContact O-CG2 3.36Å; H75-T78 PolarHBondContact O-N 3.15Å; H75-T78 VanDerWaalsContact O-N 3.08Å; H75-T78 PolarHBondContact O-OG1 3.26Å; T78-H80 VanDerWaalsContact C-N 3.29Å; T78-H80 WeakPolarHBondContact CB-CE1 3.39Å; T78-H80 PolarHBondContact O-N 3.2Å; T78-H80 PolarHBondContact OG1-CE1 3.15Å; T78-H80 PolarHBondContact OG1-ND1 2.94Å; T78-H80 PolarHBondContact OG1-NE2 3.39Å; T78-H80 VanDerWaalsContact OG1-NE2 3.11Å; T78-M81 PolarHBondContact O-N 3.48Å; T78-M81 WeakPolarHBondContact OG1-CB 3.41Å; T78-M81 VanDerWaalsContact OG1-CG 3.31Å; T78-M81 WeakPolarHBondContact OG1-CG 3.49Å; T78-M81 PolarHBondContact OG1-N 2.84Å; T78-K82 WeakPolarHBondContact O-CG 3.21Å; T78-K82 PolarHBondContact O-N 3.14Å; T78-K82 VanDerWaalsContact O-N 3.14Å
79P98.5Very high98.2Very high111 Ų11162.7 Ų62.772%0.72135%0.35SS*.Hα-helixtrans-59.1-37176.5-26.535.5000113.9K82 A83P79-K82 PolarHBondContact O-N 3.45Å; P79-A83 WeakPolarHBondContact O-CB 3.31Å; P79-A83 PolarHBondContact O-N 3.48Å
80H98.1Very high98.2Very high37 Ų3760.9 Ų60.917%0.17135%0.352CS..Hα-helixtrans-74.1-31.8-178.663.2-98.3000112I27 V31 E34 T78 A83 Y84I27-H80 HydrophobicContact CG2-CB 4.33Å; V31-H80 WeakPolarHBondContact CG2-NE2 3.39Å; E34-H80 IonicContact OE1-CE1 3.68Å; E34-H80 PolarHBondContact OE1-CE1 3.11Å; E34-H80 IonicContact OE1-NE2 3.15Å; E34-H80 PolarHBondContact OE1-NE2 3.09Å; T78-H80 VanDerWaalsContact C-N 3.29Å; T78-H80 WeakPolarHBondContact CB-CE1 3.39Å; T78-H80 PolarHBondContact O-N 3.2Å; T78-H80 PolarHBondContact OG1-CE1 3.15Å; T78-H80 PolarHBondContact OG1-ND1 2.94Å; T78-H80 PolarHBondContact OG1-NE2 3.39Å; T78-H80 VanDerWaalsContact OG1-NE2 3.11Å; H80-A83 PolarHBondContact O-N 3.32Å; H80-Y84 VanDerWaalsContact O-CB 3.3Å; H80-Y84 WeakPolarHBondContact O-CB 3.34Å; H80-Y84 PolarHBondContact O-N 3.01Å
81M98Very high98.2Very high15 Ų1559.5 Ų59.57%0.07434%0.336CS..Hα-helixtrans-70.3-35.2172.4-74.4-51.7-65.300112.8I27 H75 T78 Y84 S85I27-M81 HydrophobicContact CD1-SD 3.68Å; H75-M81 WeakPolarHBondContact CE1-CG 3.45Å; H75-M81 PolarHBondContact CE1-SD 3.08Å; H75-M81 WeakPolarHBondContact O-CG 3.37Å; T78-M81 PolarHBondContact O-N 3.48Å; T78-M81 WeakPolarHBondContact OG1-CB 3.41Å; T78-M81 VanDerWaalsContact OG1-CG 3.31Å; T78-M81 WeakPolarHBondContact OG1-CG 3.49Å; T78-M81 PolarHBondContact OG1-N 2.84Å; M81-Y84 HydrophobicContact CE-CD1 3.93Å; M81-Y84 HydrophobicContact CE-CE1 4.4Å; M81-Y84 PolarHBondContact O-N 3.31Å; M81-S85 WeakPolarHBondContact O-CB 3.3Å; M81-S85 PolarHBondContact O-N 2.9Å; M81-S85 PolarHBondContact O-OG 2.97Å
82K97.8Very high98.2Very high115 Ų11559.4 Ų59.450%0.534%0.338SS..Hα-helixtrans-64.7-45.1171.4-69.1175.7-177.3169.80111.5Q77 T78 P79 S85 E86Q77-K82 VanDerWaalsContact O-CE 3.26Å; Q77-K82 WeakPolarHBondContact O-CE 3.23Å; Q77-K82 PolarHBondContact O-NZ 2.93Å; T78-K82 WeakPolarHBondContact O-CG 3.21Å; T78-K82 PolarHBondContact O-N 3.14Å; T78-K82 VanDerWaalsContact O-N 3.14Å; P79-K82 PolarHBondContact O-N 3.45Å; K82-S85 PolarHBondContact O-N 2.85Å; K82-E86 PolarHBondContact O-N 3.44Å; K82-E86 VanDerWaalsContact O-N 3.1Å
83A98.2Very high98.2Very high61 Ų6162.5 Ų62.550%0.50436%0.355SS..Hα-helixtrans-63.4-41.7176.200000112.2P79 H80 A87P79-A83 WeakPolarHBondContact O-CB 3.31Å; P79-A83 PolarHBondContact O-N 3.48Å; H80-A83 PolarHBondContact O-N 3.32Å; A83-A87 WeakPolarHBondContact O-CB 3.34Å; A83-A87 PolarHBondContact O-N 3.18Å
84Y98.4Very high98.1Very high18 Ų1862.1 Ų62.17%0.07135%0.353CS..Hα-helixtrans-57.5-53.5173164.4-94.3000111.2V20 Q23 F24 I27 H80 M81 E86 A87 V88V20-Y84 HydrophobicContact CG1-CE2 4.31Å; V20-Y84 WeakPolarHBondContact CG1-OH 3.36Å; Q23-Y84 HydrophobicContact CB-CD2 3.74Å; Q23-Y84 HydrophobicContact CB-CE2 4.05Å; F24-Y84 HydrophobicContact CD1-CE2 4.09Å; F24-Y84 HydrophobicContact CD2-CE2 4.28Å; F24-Y84 AromaticContact CE1-CE2 3.82Å; F24-Y84 HydrophobicContact CE1-CE2 3.82Å; F24-Y84 AromaticContact CE1-CZ 3.84Å; F24-Y84 HydrophobicContact CE2-CE2 4.06Å; F24-Y84 AromaticContact CE2-CZ 3.99Å; F24-Y84 VanDerWaalsContact CE2-OH 3.29Å; F24-Y84 WeakPolarHBondContact CE2-OH 3.28Å; F24-Y84 HydrophobicContact CG-CE2 4.29Å; F24-Y84 HydrophobicContact CZ-CE1 4.41Å; F24-Y84 AromaticContact CZ-CE2 3.8Å; F24-Y84 HydrophobicContact CZ-CE2 3.8Å; F24-Y84 AromaticContact CZ-CZ 3.51Å; F24-Y84 WeakPolarHBondContact CZ-OH 3.42Å; I27-Y84 HydrophobicContact CD1-CD2 3.72Å; I27-Y84 HydrophobicContact CD1-CE2 4.37Å; I27-Y84 HydrophobicContact CD1-CG 3.84Å; H80-Y84 VanDerWaalsContact O-CB 3.3Å; H80-Y84 WeakPolarHBondContact O-CB 3.34Å; H80-Y84 PolarHBondContact O-N 3.01Å; M81-Y84 HydrophobicContact CE-CD1 3.93Å; M81-Y84 HydrophobicContact CE-CE1 4.4Å; M81-Y84 PolarHBondContact O-N 3.31Å; Y84-E86 VanDerWaalsContact C-N 3.27Å; Y84-E86 PolarHBondContact O-N 3.1Å; Y84-A87 PolarHBondContact O-N 3.39Å; Y84-V88 HydrophobicContact CD1-CG2 4.32Å; Y84-V88 HydrophobicContact CD2-CG1 3.97Å; Y84-V88 HydrophobicContact CE1-CG2 3.85Å; Y84-V88 HydrophobicContact CE2-CG1 3.64Å; Y84-V88 HydrophobicContact CE2-CG2 4.22Å; Y84-V88 WeakPolarHBondContact O-CG2 3.35Å; Y84-V88 PolarHBondContact O-N 3.42Å
85S97.2Very high98.1Very high65 Ų6564.3 Ų64.346%0.45535%0.354SS..Hα-helixtrans-57-42.3-177.3-60.50000111.8M81 K82 K89M81-S85 WeakPolarHBondContact O-CB 3.3Å; M81-S85 PolarHBondContact O-N 2.9Å; M81-S85 PolarHBondContact O-OG 2.97Å; K82-S85 PolarHBondContact O-N 2.85Å; S85-K89 PolarHBondContact O-N 2.97Å
86E98.5Very high98.1Very high116 Ų11668.7 Ų68.754%0.54238%0.377SS..Hα-helixtrans-67.2-39.7176.3178.360.7-167.700112.4K82 Y84 K89K82-E86 PolarHBondContact O-N 3.44Å; K82-E86 VanDerWaalsContact O-N 3.1Å; Y84-E86 VanDerWaalsContact C-N 3.27Å; Y84-E86 PolarHBondContact O-N 3.1Å; E86-K89 WeakPolarHBondContact O-CG 3.31Å; E86-K89 WeakPolarHBondContact OE1-CE 3.44Å; E86-K89 IonicContact OE1-NZ 2.89Å; E86-K89 PolarHBondContact OE1-NZ 3.03Å; E86-K89 WeakPolarHBondContact OE2-CD 3.36Å; E86-K89 IonicContact OE2-NZ 3.65Å; E86-K89 PolarHBondContact OE2-NZ 2.85Å
87A98.5Very high98.1Very high48 Ų4868.5 Ų68.540%0.39738%0.376SS..Hα-helixtrans-68.9-32.3-179.500000113.3Q23 A83 Y84Q23-A87 HydrophobicContact CG-CB 4.11Å; A83-A87 WeakPolarHBondContact O-CB 3.34Å; A83-A87 PolarHBondContact O-N 3.18Å; Y84-A87 PolarHBondContact O-N 3.39Å
88V98.4Very high98.2Very high6 Ų669.3 Ų69.34%0.03637%0.374CS..Hα-helixtrans-101.1-3.9-174.7-55.40000114.6V20 Q23 Y84 G90 D91 V92V20-V88 HydrophobicContact CB-CG1 4.45Å; V20-V88 HydrophobicContact CG1-CG1 4.31Å; V20-V88 HydrophobicContact CG2-CB 4.13Å; V20-V88 HydrophobicContact CG2-CG1 4.19Å; Q23-V88 HydrophobicContact CB-CG1 3.91Å; Q23-V88 HydrophobicContact CG-CG1 3.65Å; Y84-V88 HydrophobicContact CD1-CG2 4.32Å; Y84-V88 HydrophobicContact CD2-CG1 3.97Å; Y84-V88 HydrophobicContact CE1-CG2 3.85Å; Y84-V88 HydrophobicContact CE2-CG1 3.64Å; Y84-V88 HydrophobicContact CE2-CG2 4.22Å; Y84-V88 WeakPolarHBondContact O-CG2 3.35Å; Y84-V88 PolarHBondContact O-N 3.42Å; V88-G90 PolarHBondContact O-N 2.97Å; V88-D91 PolarHBondContact O-N 2.9Å; V88-V92 HydrophobicContact CB-CG2 3.98Å; V88-V92 HydrophobicContact CG2-CG2 3.73Å; V88-V92 PolarHBondContact O-N 3.03Å
89K97.4Very high98.2Very high126 Ų12672.1 Ų72.155%0.54839%0.387SS..THydrogen-bonded Turntrans-56.6-26-174.571.5-174.2175.6-176.90114.8S85 E86S85-K89 PolarHBondContact O-N 2.97Å; E86-K89 WeakPolarHBondContact O-CG 3.31Å; E86-K89 WeakPolarHBondContact OE1-CE 3.44Å; E86-K89 IonicContact OE1-NZ 2.89Å; E86-K89 PolarHBondContact OE1-NZ 3.03Å; E86-K89 WeakPolarHBondContact OE2-CD 3.36Å; E86-K89 IonicContact OE2-NZ 3.65Å; E86-K89 PolarHBondContact OE2-NZ 2.85Å
90G97.9Very high98.2Very high43 Ų4369.3 Ų69.344%0.44337%0.366SS..THydrogen-bonded Turntrans-75.2-27.1176.100000113R11 V88R11-G90 VanDerWaalsContact CD-O 3.25Å; R11-G90 WeakPolarHBondContact CD-O 3.45Å; R11-G90 PolarHBondContact NE-O 3.28Å; V88-G90 PolarHBondContact O-N 2.97Å
91D98.7Very high98.2Very high29 Ų2974.9 Ų74.916%0.15539%0.392CS..THydrogen-bonded Turntrans-100.7-31.4-172.1-56.4-62.3000112.8T10 R11 H16 V20 V88T10-D91 CarbonylContact C-O 3.57Å; T10-D91 WeakPolarHBondContact CA-O 3.36Å; T10-D91 WeakPolarHBondContact CB-O 3.44Å; R11-D91 PolarHBondContact N-O 2.78Å; H16-D91 HydrophobicContact CB-CB 4.19Å; H16-D91 IonicContact CE1-OD1 3.66Å; H16-D91 IonicContact CG-OD1 2.7Å; H16-D91 IonicContact ND1-OD1 2.82Å; H16-D91 PolarHBondContact ND1-OD1 2.79Å; V20-D91 HydrophobicContact CG2-CB 3.73Å; V88-D91 PolarHBondContact O-N 2.9Å
92V98.7Very high98.1Very high32 Ų3279 Ų7919%0.19442%0.419CS..EExtended strand (participates in β ladder)trans-85.3133.6-178.7177.30000110.9I8 V20 V88I8-V92 HydrophobicContact CG2-CB 4.46Å; I8-V92 HydrophobicContact CG2-CG1 3.85Å; I8-V92 HydrophobicContact CG2-CG2 3.78Å; V20-V92 HydrophobicContact CG2-CG2 3.9Å; V88-V92 HydrophobicContact CB-CG2 3.98Å; V88-V92 HydrophobicContact CG2-CG2 3.73Å; V88-V92 PolarHBondContact O-N 3.03Å
93L98.3Very high98Very high77 Ų7777.4 Ų77.440%0.40344%0.436SS..EExtended strand (participates in β ladder)trans-96-50.4174.6-74.3179000112R9 R11R9-L93 PolarHBondContact O-N 3.09Å; R11-L93 HydrophobicContact CG-CD1 4.32Å; R11-L93 HydrophobicContact CG-CD2 3.67Å; R11-L93 HydrophobicContact CG-CG 3.76Å
94E97.8Very high97.8Very high111 Ų11185.4 Ų85.452%0.51947%0.468SS..EExtended strand (participates in β ladder)trans-156.8162.4-175.561.7-172.1169.400110.6R9R9-E94 HydrophobicContact CB-CG 3.8Å; R9-E94 WeakPolarHBondContact CD-OE1 3.45Å; R9-E94 HydrophobicContact CG-CG 4.47Å; R9-E94 IonicContact CZ-OE1 3.76Å; R9-E94 PolarHBondContact N-O 2.93Å; R9-E94 IonicContact NE-OE1 3.89Å; R9-E94 IonicContact NH1-OE1 2.9Å; R9-E94 PolarHBondContact NH1-OE1 3.32Å; R9-E94 PolarHBondContact O-N 2.96Å
95M97.7Very high97.8Very high105 Ų10588.8 Ų88.852%0.51749%0.488SS..EExtended strand (participates in β ladder)trans-135.1132.1176.6-175.3174.45200109.6A6 E7 I8 I97A6-M95 HydrophobicContact CB-SD 4.36Å; E7-M95 CarbonylContact O-C 3.52Å; E7-M95 VanDerWaalsContact O-CA 3.25Å; E7-M95 WeakPolarHBondContact O-CA 3.38Å; I8-M95 HydrophobicContact CD1-SD 4.49Å; I8-M95 HydrophobicContact CG1-CG 3.96Å; I8-M95 HydrophobicContact CG1-SD 4.02Å; M95-I97 HydrophobicContact CE-CD1 3.39Å; M95-I97 HydrophobicContact CE-CG1 4.04Å; M95-I97 HydrophobicContact CG-CD1 4.28Å; M95-I97 HydrophobicContact CG-CG1 3.83Å; M95-I97 HydrophobicContact SD-CD1 3.86Å; M95-I97 HydrophobicContact SD-CG1 3.95Å
96N98.4Very high97.8Very high94 Ų9490.1 Ų90.150%0.50349%0.49SS..EExtended strand (participates in β ladder)trans-110.8117.3172.2-170.9-78.7000109A6 E7A6-N96 CarbonylContact C-O 3.41Å; A6-N96 WeakPolarHBondContact CA-O 3.37Å; E7-N96 HydrophobicContact CB-CB 4.45Å; E7-N96 PolarHBondContact N-O 3.43Å; E7-N96 PolarHBondContact O-N 3.5Å
97I98.6Very high97.8Very high81 Ų8188.6 Ų88.642%0.41549%0.487SS..EExtended strand (participates in β ladder)trans-111.4129.9-177.9-55.8170.3000109.6V4 A6 M95 I99V4-I97 HydrophobicContact CG1-CG2 3.65Å; A6-I97 HydrophobicContact CB-CG1 3.99Å; M95-I97 HydrophobicContact CE-CD1 3.39Å; M95-I97 HydrophobicContact CE-CG1 4.04Å; M95-I97 HydrophobicContact CG-CD1 4.28Å; M95-I97 HydrophobicContact CG-CG1 3.83Å; M95-I97 HydrophobicContact SD-CD1 3.86Å; M95-I97 HydrophobicContact SD-CG1 3.95Å; I97-I99 HydrophobicContact CG2-CG1 4.23Å
98R98.7Very high97.7Very high142 Ų14291 Ų9154%0.53649%0.492SS..EExtended strand (participates in β ladder)trans-119.8125.6169.6-62.2-177.962.9-166.1-3109.4V4 I5 L100V4-R98 WeakPolarHBondContact CA-O 3.44Å; I5-R98 PolarHBondContact N-O 3.02Å; I5-R98 PolarHBondContact O-N 3.09Å; R98-L100 HydrophobicContact CB-CD2 4.2Å; R98-L100 HydrophobicContact CB-CG 4.34Å
99I98.7Very high97.7Very high83 Ų8396.3 Ų96.343%0.42652%0.52SS..EExtended strand (participates in β ladder)trans-104.7122.8174.4-54.5175.7000107.2L2 V4 I69 L72 I97L2-I99 HydrophobicContact CB-CG2 4.18Å; L2-I99 HydrophobicContact CD1-CG2 3.94Å; L2-I99 HydrophobicContact CD2-CG2 4.27Å; L2-I99 HydrophobicContact CG-CG2 4.36Å; V4-I99 HydrophobicContact CG2-CG1 4.33Å; I69-I99 HydrophobicContact CD1-CD1 3.86Å; L72-I99 HydrophobicContact CD2-CD1 3.75Å; L72-I99 HydrophobicContact CD2-CG1 4.26Å; I97-I99 HydrophobicContact CG2-CG1 4.23Å
100L98.8Very high97.7Very high52 Ų5294.3 Ų94.327%0.27252%0.519SS..EExtended strand (participates in β ladder)trans-127.8157.6-166-53.4174.1000110.8L2 T3 I5 R98L2-L100 WeakPolarHBondContact CA-O 3.48Å; T3-L100 PolarHBondContact N-O 3.4Å; T3-L100 WeakPolarHBondContact O-CA 3.26Å; T3-L100 WeakPolarHBondContact O-CB 3.39Å; T3-L100 PolarHBondContact O-N 3.24Å; I5-L100 HydrophobicContact CD1-CD1 3.71Å; I5-L100 HydrophobicContact CG1-CD1 4.05Å; R98-L100 HydrophobicContact CB-CD2 4.2Å; R98-L100 HydrophobicContact CB-CG 4.34Å
101Q97.7Very high97.7Very high153 Ų15398 Ų9872%0.71552%0.524SS*.  trans-138.8162.3171.266.718038.200109.2G103Q101-G103 PolarHBondContact O-N 3.34Å
102P96.2Very high97.6Very high101 Ų101103.3 Ų103.366%0.65655%0.552SS**  trans-54.1130.8171.8-25.235.3000111.3
103G96Very high97.5Very high82 Ų82109.3 Ų109.385%0.84558%0.582SS**  trans-89-10.7177.800000114Q101Q101-G103 PolarHBondContact O-N 3.34Å
104I93.3Very high97.4Very high230 Ų230112.2 Ų112.2100%1.17960%0.598SS**  trans-144.40176.154.3170.6000109.1

Retrieved 104 of 104 residues in 31.4 ms (Link to these results)

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