G4VB74_SCHMA Loading...

Smp_200650

AlphaFold DB , UniProt , Accession G4VB74, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 83 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
1M65.7Low71Confident152 Ų15287.5 Ų87.575%0.74944%0.443SS*.  0112.70-169.8177.5-164.800107.2R31 R33M1-R31 HydrophobicContact CE-CB 4.01Å; M1-R33 HydrophobicContact CE-CB 4.34Å
2Q68.1Low70.4Confident107 Ų10783.6 Ų83.650%0.542%0.424SS..  trans-92.6130.7178.8-167169.9-3.700108.4F63 N64Q2-F63 HydrophobicContact CB-CZ 4.48Å; Q2-F63 HydrophobicContact CG-CE2 4.28Å; Q2-N64 PolarHBondContact OE1-OD1 2.66Å
3V71.3Confident69.2Low68 Ų6883.3 Ų83.341%0.41243%0.431SS..EExtended strand (participates in β ladder)trans-121.8117.9-178.6178.50000107.8R5 L29 I30 R31V3-R5 HydrophobicContact CG1-CG 4.43Å; V3-L29 HydrophobicContact CG1-CD2 3.73Å; V3-L29 HydrophobicContact CG1-CG 4.08Å; V3-I30 WeakPolarHBondContact CA-O 3.34Å; V3-R31 HydrophobicContact CG1-CG 4.33Å; V3-R31 HydrophobicContact CG2-CG 4.17Å
4H76.6Confident68Low81 Ų8191.9 Ų91.938%0.37547%0.468SS..EExtended strand (participates in β ladder)trans-95.9127.3171.6-133.4106.7000108.6L29 I30 F63H4-L29 WeakPolarHBondContact O-CA 3.28Å; H4-I30 HydrophobicContact CB-CB 4.29Å; H4-I30 PolarHBondContact N-O 3.05Å; H4-I30 PolarHBondContact O-N 2.91Å; H4-F63 HydrophobicContact CB-CD2 3.89Å; H4-F63 HydrophobicContact CB-CE2 3.98Å; H4-F63 AromaticContact ND1-CD2 3.83Å
5R77.4Confident67Low183 Ų18391.1 Ų91.169%0.69147%0.465SS*.EExtended strand (participates in β ladder)trans-113.3120.9175.3-85.3-179.3172.1-178.2-5109.1V3 L28 L29V3-R5 HydrophobicContact CG1-CG 4.43Å; R5-L28 WeakPolarHBondContact CA-O 3.41Å; R5-L29 HydrophobicContact CG-CD1 3.77Å; R5-L29 HydrophobicContact CG-CG 3.84Å
6V75.7Confident66.1Low31 Ų3192.9 Ų92.919%0.18849%0.488CS..EExtended strand (participates in β ladder)trans-116.8119.3172.3-175.40000108.4L28 L59V6-L28 HydrophobicContact CB-CB 4.5Å; V6-L28 PolarHBondContact N-O 2.93Å; V6-L28 PolarHBondContact O-N 2.86Å; V6-L59 HydrophobicContact CB-CD2 3.93Å; V6-L59 HydrophobicContact CG1-CD1 3.88Å; V6-L59 HydrophobicContact CG1-CD2 3.69Å; V6-L59 HydrophobicContact CG1-CG 4.45Å; V6-L59 HydrophobicContact CG2-CD2 4Å
7K77.7Confident65.2Low124 Ų12495.3 Ų95.354%0.53950%0.502SS..EExtended strand (participates in β ladder)trans-92.3130.8170.2-175.9-177.9-179178.40107.8F26 Y27K7-F26 WeakPolarHBondContact CA-O 3.39Å; K7-Y27 HydrophobicContact CB-CD1 4.1Å; K7-Y27 HydrophobicContact CB-CE1 3.88Å; K7-Y27 HydrophobicContact CD-CE1 3.88Å; K7-Y27 WeakPolarHBondContact CE-OH 3.48Å; K7-Y27 HydrophobicContact CG-CD1 4.25Å; K7-Y27 HydrophobicContact CG-CE1 3.77Å
8F73.1Confident64.6Low6 Ų691.6 Ų91.63%0.02648%0.482CS..EExtended strand (participates in β ladder)trans-137.6149.6171.966.6-86.1000111.7F26 L28 L41 Y57 I72F8-F26 HydrophobicContact CD1-CB 3.86Å; F8-F26 HydrophobicContact CD2-CB 3.94Å; F8-F26 HydrophobicContact CD2-CD2 4.22Å; F8-F26 HydrophobicContact CD2-CG 4.38Å; F8-F26 HydrophobicContact CE1-CB 3.35Å; F8-F26 HydrophobicContact CE1-CG 4.32Å; F8-F26 HydrophobicContact CE2-CB 3.44Å; F8-F26 VanDerWaalsContact CE2-CB 3.44Å; F8-F26 HydrophobicContact CE2-CD1 4.49Å; F8-F26 AromaticContact CE2-CD2 3.69Å; F8-F26 HydrophobicContact CE2-CD2 3.69Å; F8-F26 AromaticContact CE2-CG 3.63Å; F8-F26 HydrophobicContact CE2-CG 3.63Å; F8-F26 HydrophobicContact CG-CB 4.13Å; F8-F26 HydrophobicContact CZ-CB 3.11Å; F8-F26 HydrophobicContact CZ-CD1 4.22Å; F8-F26 HydrophobicContact CZ-CD2 4.17Å; F8-F26 AromaticContact CZ-CG 3.6Å; F8-F26 HydrophobicContact CZ-CG 3.6Å; F8-F26 PolarHBondContact N-O 2.9Å; F8-F26 PolarHBondContact O-N 2.85Å; F8-L28 HydrophobicContact CE1-CB 4.4Å; F8-L41 HydrophobicContact CE1-CD1 4.32Å; F8-L41 HydrophobicContact CZ-CD1 4.16Å; F8-Y57 HydrophobicContact CB-CD1 4.31Å; F8-Y57 HydrophobicContact CB-CE1 3.51Å; F8-Y57 HydrophobicContact CB-CE2 4Å; F8-Y57 VanDerWaalsContact CB-OH 3.31Å; F8-Y57 WeakPolarHBondContact CB-OH 3.46Å; F8-Y57 HydrophobicContact CD1-CD1 4.08Å; F8-Y57 AromaticContact CD1-CE1 3.78Å; F8-Y57 HydrophobicContact CD1-CE1 3.78Å; F8-Y57 AromaticContact CD2-CD1 3.27Å; F8-Y57 HydrophobicContact CD2-CD1 3.27Å; F8-Y57 AromaticContact CD2-CD2 3.75Å; F8-Y57 HydrophobicContact CD2-CD2 3.75Å; F8-Y57 AromaticContact CD2-CE1 3.4Å; F8-Y57 HydrophobicContact CD2-CE1 3.4Å; F8-Y57 VanDerWaalsContact CD2-CE1 3.4Å; F8-Y57 AromaticContact CD2-CE2 3.9Å; F8-Y57 HydrophobicContact CD2-CE2 3.9Å; F8-Y57 AromaticContact CD2-CG 3.45Å; F8-Y57 HydrophobicContact CD2-CG 3.45Å; F8-Y57 VanDerWaalsContact CD2-CG 3.45Å; F8-Y57 AromaticContact CD2-CZ 3.74Å; F8-Y57 HydrophobicContact CE1-CD1 4.17Å; F8-Y57 HydrophobicContact CE1-CE1 4.3Å; F8-Y57 AromaticContact CE2-CD1 3.38Å; F8-Y57 HydrophobicContact CE2-CD1 3.38Å; F8-Y57 HydrophobicContact CE2-CD2 4.25Å; F8-Y57 AromaticContact CE2-CE1 3.97Å; F8-Y57 HydrophobicContact CE2-CE1 3.97Å; F8-Y57 AromaticContact CE2-CG 3.53Å; F8-Y57 HydrophobicContact CE2-CG 3.53Å; F8-Y57 AromaticContact CG-CD1 3.64Å; F8-Y57 HydrophobicContact CG-CD1 3.64Å; F8-Y57 HydrophobicContact CG-CD2 4.5Å; F8-Y57 AromaticContact CG-CE1 3.28Å; F8-Y57 HydrophobicContact CG-CE1 3.28Å; F8-Y57 HydrophobicContact CG-CE2 4.24Å; F8-Y57 HydrophobicContact CG-CG 4.23Å; F8-Y57 AromaticContact CG-CZ 3.64Å; F8-Y57 AromaticContact CZ-CD1 3.83Å; F8-Y57 HydrophobicContact CZ-CD1 3.83Å; F8-Y57 HydrophobicContact CZ-CE1 4.38Å; F8-Y57 HydrophobicContact CZ-CG 4.37Å; F8-I72 HydrophobicContact CE1-CD1 3.75Å; F8-I72 HydrophobicContact CE2-CD1 4.43Å; F8-I72 HydrophobicContact CZ-CD1 3.41Å; F8-I72 VanDerWaalsContact CZ-CD1 3.41Å
9T68.9Low63.9Low86 Ų8693.6 Ų93.653%0.52849%0.488SS..  trans-121.3109175.6-48.40000105.4S11 I24T9-S11 PolarHBondContact O-N 3.44Å; T9-I24 WeakPolarHBondContact CG2-O 3.49Å
10P64.6Low63.4Low7 Ų790.9 Ų90.95%0.04547%0.474CS..  trans-60.8139.7179.113.2-18.5000109.5I12 I24 F26 F74P10-I12 VanDerWaalsContact C-N 3.33Å; P10-I12 PolarHBondContact O-N 3.3Å; P10-I24 HydrophobicContact CG-CG2 4.19Å; P10-F26 HydrophobicContact CG-CD2 3.75Å; P10-F26 HydrophobicContact CG-CE2 3.43Å; P10-F26 VanDerWaalsContact CG-CE2 3.43Å; P10-F74 HydrophobicContact CB-CE1 4.17Å; P10-F74 HydrophobicContact CB-CZ 3.9Å; P10-F74 HydrophobicContact CG-CE1 3.78Å; P10-F74 HydrophobicContact CG-CE2 4.47Å; P10-F74 HydrophobicContact CG-CZ 3.35Å
11S62.2Low62.7Low118 Ų11892 Ų9283%0.82548%0.477SS*.  trans-68.893.6174.6-55.70000108.4T9 P13T9-S11 PolarHBondContact O-N 3.44Å; S11-P13 WeakPolarHBondContact O-CD 3.41Å
12I63.7Low62.1Low40 Ų4094 Ų9421%0.20548%0.482CS..  trans-79.8119.2176.3-59.1167.5000106.9P10 Q14 L20 I24 F55P10-I12 VanDerWaalsContact C-N 3.33Å; P10-I12 PolarHBondContact O-N 3.3Å; I12-Q14 PolarHBondContact O-N 3.24Å; I12-L20 HydrophobicContact CB-CD1 4.19Å; I12-L20 HydrophobicContact CD1-CD1 3.65Å; I12-L20 HydrophobicContact CD1-CD2 4.35Å; I12-L20 HydrophobicContact CG1-CD1 4.45Å; I12-L20 HydrophobicContact CG2-CD1 3.44Å; I12-L20 VanDerWaalsContact CG2-CD1 3.44Å; I12-I24 HydrophobicContact CD1-CB 4.02Å; I12-I24 HydrophobicContact CD1-CD1 3.44Å; I12-I24 VanDerWaalsContact CD1-CD1 3.44Å; I12-I24 HydrophobicContact CD1-CG1 4.17Å; I12-I24 HydrophobicContact CD1-CG2 4.45Å; I12-F55 HydrophobicContact CB-CE1 4Å; I12-F55 HydrophobicContact CB-CZ 4.49Å; I12-F55 HydrophobicContact CG1-CD1 4.23Å; I12-F55 HydrophobicContact CG1-CE1 3.7Å; I12-F55 HydrophobicContact CG1-CZ 4.09Å; I12-F55 HydrophobicContact CG2-CE1 3.71Å; I12-F55 HydrophobicContact CG2-CZ 3.86Å
13P55Low61.8Low80 Ų8092.5 Ų92.552%0.51948%0.477SS..  trans-54.6131.7173.8-18.630000108.2S11 L15S11-P13 WeakPolarHBondContact O-CD 3.41Å; P13-L15 PolarHBondContact O-N 2.94Å
14Q52.6Low61.7Low203 Ų20389.4 Ų89.495%0.94946%0.458SS*.  trans-6486.7170.8-79-177.2-24.700108.2I12I12-Q14 PolarHBondContact O-N 3.24Å
15L53.1Low61.4Low81 Ų8185.6 Ų85.642%0.42444%0.44SS..  trans-79.5127.7171.5-74.4162.2000106.9P13 N17 I18P13-L15 PolarHBondContact O-N 2.94Å; L15-N17 PolarHBondContact O-N 2.9Å; L15-I18 HydrophobicContact CB-CB 4.38Å; L15-I18 HydrophobicContact CB-CD1 3.52Å; L15-I18 HydrophobicContact CB-CG1 3.64Å; L15-I18 HydrophobicContact CD1-CD1 3.44Å; L15-I18 VanDerWaalsContact CD1-CD1 3.44Å; L15-I18 HydrophobicContact CD1-CG1 4.43Å; L15-I18 HydrophobicContact CG-CD1 4.06Å; L15-I18 PolarHBondContact O-N 2.94Å
16S52.4Low61.3Low120 Ų12077.1 Ų77.184%0.83941%0.408SS*.THydrogen-bonded Turntrans-53.2-19.8-172.646.30000115.1
17N51.1Low61.3Low133 Ų13379.6 Ų79.671%0.71142%0.415SS*.THydrogen-bonded Turntrans-107.26.5-178-69.4-16.7000114.3L15L15-N17 PolarHBondContact O-N 2.9Å
18I53Low61.3Low28 Ų2873.8 Ų73.814%0.14439%0.39CS..  trans-101.7102.2-176.3-55.5-171.7000110.1L15 L20L15-I18 HydrophobicContact CB-CB 4.38Å; L15-I18 HydrophobicContact CB-CD1 3.52Å; L15-I18 HydrophobicContact CB-CG1 3.64Å; L15-I18 HydrophobicContact CD1-CD1 3.44Å; L15-I18 VanDerWaalsContact CD1-CD1 3.44Å; L15-I18 HydrophobicContact CD1-CG1 4.43Å; L15-I18 HydrophobicContact CG-CD1 4.06Å; L15-I18 PolarHBondContact O-N 2.94Å; I18-L20 HydrophobicContact CG2-CB 3.73Å; I18-L20 HydrophobicContact CG2-CD1 3.4Å; I18-L20 VanDerWaalsContact CG2-CD1 3.4Å; I18-L20 HydrophobicContact CG2-CG 3.35Å; I18-L20 PolarHBondContact O-N 2.95Å
19Q52.5Low61.7Low131 Ų13174.1 Ų74.161%0.61239%0.392SS*.  trans-75.469.7160.4-77.2-176.2-22.100109.2H21Q19-H21 PolarHBondContact O-N 2.92Å
20L52.6Low62.3Low38 Ų3870 Ų7020%0.19937%0.366CS..  trans-79.2103.1166-101.4163.4000107I12 I18 K22 I24 C47 M50I12-L20 HydrophobicContact CB-CD1 4.19Å; I12-L20 HydrophobicContact CD1-CD1 3.65Å; I12-L20 HydrophobicContact CD1-CD2 4.35Å; I12-L20 HydrophobicContact CG1-CD1 4.45Å; I12-L20 HydrophobicContact CG2-CD1 3.44Å; I12-L20 VanDerWaalsContact CG2-CD1 3.44Å; I18-L20 HydrophobicContact CG2-CB 3.73Å; I18-L20 HydrophobicContact CG2-CD1 3.4Å; I18-L20 VanDerWaalsContact CG2-CD1 3.4Å; I18-L20 HydrophobicContact CG2-CG 3.35Å; I18-L20 PolarHBondContact O-N 2.95Å; L20-K22 PolarHBondContact O-N 2.65Å; L20-I24 HydrophobicContact CD2-CD1 3.46Å; L20-I24 VanDerWaalsContact CD2-CD1 3.46Å; L20-I24 HydrophobicContact CD2-CG1 3.93Å; L20-C47 HydrophobicContact CD2-CB 4.49Å; L20-C47 WeakPolarHBondContact CD2-SG 3.48Å; L20-M50 HydrophobicContact CD1-CE 3.97Å; L20-M50 HydrophobicContact CD2-CE 3.63Å; L20-M50 HydrophobicContact CG-CE 3.89Å
21H49.7Very low63.2Low116 Ų11673.6 Ų73.654%0.53738%0.379SS..  trans-70.777.1166.3-92.2-78.1000109Q19 N23Q19-H21 PolarHBondContact O-N 2.92Å; H21-N23 WeakPolarHBondContact O-CB 3.39Å; H21-N23 PolarHBondContact O-N 2.85Å
22K53.6Low64Low194 Ų19470.1 Ų70.184%0.84335%0.351SS*.SBendtrans44.6-0.9156.8-71.3-174.6175.1-179.50120.9L20L20-K22 PolarHBondContact O-N 2.65Å
23N61.7Low64.8Low75 Ų7576 Ų7640%0.40137%0.371SS..EExtended strand (participates in β ladder)trans-130.660.2-159.8-75.6-7000111.5H21 F44 E46H21-N23 WeakPolarHBondContact O-CB 3.39Å; H21-N23 PolarHBondContact O-N 2.85Å; N23-F44 HydrophobicContact CB-CE2 3.86Å; N23-F44 WeakPolarHBondContact O-CD2 3.32Å; N23-F44 VanDerWaalsContact O-CE2 3.3Å; N23-F44 WeakPolarHBondContact O-CE2 3.27Å; N23-E46 HydrophobicContact CB-CB 4.13Å; N23-E46 PolarHBondContact ND2-OE2 3.23Å; N23-E46 PolarHBondContact O-N 3.02Å
24I68.4Low66Low3 Ų379.2 Ų79.22%0.01538%0.384CS..EExtended strand (participates in β ladder)trans-103118.4159-69.4178000107.3T9 P10 I12 L20 F26 I45 M50 M76T9-I24 WeakPolarHBondContact CG2-O 3.49Å; P10-I24 HydrophobicContact CG-CG2 4.19Å; I12-I24 HydrophobicContact CD1-CB 4.02Å; I12-I24 HydrophobicContact CD1-CD1 3.44Å; I12-I24 VanDerWaalsContact CD1-CD1 3.44Å; I12-I24 HydrophobicContact CD1-CG1 4.17Å; I12-I24 HydrophobicContact CD1-CG2 4.45Å; L20-I24 HydrophobicContact CD2-CD1 3.46Å; L20-I24 VanDerWaalsContact CD2-CD1 3.46Å; L20-I24 HydrophobicContact CD2-CG1 3.93Å; I24-F26 HydrophobicContact CG2-CD2 4.11Å; I24-F26 HydrophobicContact CG2-CE2 3.39Å; I24-F26 HydrophobicContact CG2-CZ 4.12Å; I24-I45 HydrophobicContact CD1-CG2 3.98Å; I24-I45 HydrophobicContact CG1-CB 4.48Å; I24-I45 HydrophobicContact CG1-CG2 3.78Å; I24-M50 HydrophobicContact CD1-CE 3.67Å; I24-M76 HydrophobicContact CD1-SD 3.71Å
25G69.5Low67.1Low0 Ų075.2 Ų75.20%038%0.378CS..EExtended strand (participates in β ladder)trans-140.9144.8172.500000111.2F44G25-F44 PolarHBondContact N-O 2.89Å; G25-F44 VanDerWaalsContact N-O 3.08Å; G25-F44 WeakPolarHBondContact O-CD1 3.31Å; G25-F44 PolarHBondContact O-N 2.97Å
26F75.4Confident68.3Low5 Ų575.3 Ų75.32%0.02238%0.382CS..EExtended strand (participates in β ladder)trans-115.7144.2177.9-64.7-96000109K7 F8 P10 I24 L41 L42 F74K7-F26 WeakPolarHBondContact CA-O 3.39Å; F8-F26 HydrophobicContact CD1-CB 3.86Å; F8-F26 HydrophobicContact CD2-CB 3.94Å; F8-F26 HydrophobicContact CD2-CD2 4.22Å; F8-F26 HydrophobicContact CD2-CG 4.38Å; F8-F26 HydrophobicContact CE1-CB 3.35Å; F8-F26 HydrophobicContact CE1-CG 4.32Å; F8-F26 HydrophobicContact CE2-CB 3.44Å; F8-F26 VanDerWaalsContact CE2-CB 3.44Å; F8-F26 HydrophobicContact CE2-CD1 4.49Å; F8-F26 AromaticContact CE2-CD2 3.69Å; F8-F26 HydrophobicContact CE2-CD2 3.69Å; F8-F26 AromaticContact CE2-CG 3.63Å; F8-F26 HydrophobicContact CE2-CG 3.63Å; F8-F26 HydrophobicContact CG-CB 4.13Å; F8-F26 HydrophobicContact CZ-CB 3.11Å; F8-F26 HydrophobicContact CZ-CD1 4.22Å; F8-F26 HydrophobicContact CZ-CD2 4.17Å; F8-F26 AromaticContact CZ-CG 3.6Å; F8-F26 HydrophobicContact CZ-CG 3.6Å; F8-F26 PolarHBondContact N-O 2.9Å; F8-F26 PolarHBondContact O-N 2.85Å; P10-F26 HydrophobicContact CG-CD2 3.75Å; P10-F26 HydrophobicContact CG-CE2 3.43Å; P10-F26 VanDerWaalsContact CG-CE2 3.43Å; I24-F26 HydrophobicContact CG2-CD2 4.11Å; I24-F26 HydrophobicContact CG2-CE2 3.39Å; I24-F26 HydrophobicContact CG2-CZ 4.12Å; F26-L41 HydrophobicContact CB-CD1 4.25Å; F26-L41 HydrophobicContact CD1-CD1 3.93Å; F26-L41 HydrophobicContact CD1-CG 4.36Å; F26-L42 CarbonylContact C-O 3.58Å; F26-L42 VanDerWaalsContact CA-O 3.31Å; F26-L42 WeakPolarHBondContact CA-O 3.45Å; F26-F74 HydrophobicContact CD2-CE1 4.39Å; F26-F74 HydrophobicContact CE1-CD1 4.02Å; F26-F74 HydrophobicContact CE1-CD2 4.45Å; F26-F74 HydrophobicContact CE1-CE1 4.22Å; F26-F74 HydrophobicContact CE1-CG 4.16Å; F26-F74 HydrophobicContact CE2-CD1 4.16Å; F26-F74 HydrophobicContact CE2-CD2 4.45Å; F26-F74 AromaticContact CE2-CE1 3.54Å; F26-F74 HydrophobicContact CE2-CE1 3.54Å; F26-F74 AromaticContact CE2-CE2 3.86Å; F26-F74 HydrophobicContact CE2-CE2 3.86Å; F26-F74 AromaticContact CE2-CZ 3.38Å; F26-F74 HydrophobicContact CE2-CZ 3.38Å; F26-F74 AromaticContact CZ-CD1 3.59Å; F26-F74 HydrophobicContact CZ-CD1 3.59Å; F26-F74 AromaticContact CZ-CD2 3.65Å; F26-F74 HydrophobicContact CZ-CD2 3.65Å; F26-F74 AromaticContact CZ-CE1 3.44Å; F26-F74 HydrophobicContact CZ-CE1 3.44Å; F26-F74 VanDerWaalsContact CZ-CE1 3.44Å; F26-F74 AromaticContact CZ-CE2 3.49Å; F26-F74 HydrophobicContact CZ-CE2 3.49Å; F26-F74 VanDerWaalsContact CZ-CE2 3.49Å; F26-F74 AromaticContact CZ-CG 3.71Å; F26-F74 HydrophobicContact CZ-CG 3.71Å; F26-F74 AromaticContact CZ-CZ 3.4Å; F26-F74 HydrophobicContact CZ-CZ 3.4Å; F26-F74 VanDerWaalsContact CZ-CZ 3.4Å
27Y75.8Confident69.6Low83 Ų8372.2 Ų72.233%0.32536%0.356SS..EExtended strand (participates in β ladder)trans-118.6120171-68.7-88.9000107.6K7 L42 F44K7-Y27 HydrophobicContact CB-CD1 4.1Å; K7-Y27 HydrophobicContact CB-CE1 3.88Å; K7-Y27 HydrophobicContact CD-CE1 3.88Å; K7-Y27 WeakPolarHBondContact CE-OH 3.48Å; K7-Y27 HydrophobicContact CG-CD1 4.25Å; K7-Y27 HydrophobicContact CG-CE1 3.77Å; Y27-L42 PolarHBondContact N-O 3.38Å; Y27-L42 PolarHBondContact O-N 3.04Å; Y27-F44 HydrophobicContact CD2-CD1 4.43Å; Y27-F44 AromaticContact CE2-CD1 3.88Å; Y27-F44 HydrophobicContact CE2-CD1 3.88Å; Y27-F44 AromaticContact CE2-CE1 3.84Å; Y27-F44 HydrophobicContact CE2-CE1 3.84Å
28L78Confident71.1Confident3 Ų368.8 Ų68.82%0.01634%0.338CS..EExtended strand (participates in β ladder)trans-95.8120.5167-152.179.7000108.1R5 V6 F8 I30 I39 D40 L41 L59 I70 I72R5-L28 WeakPolarHBondContact CA-O 3.41Å; V6-L28 HydrophobicContact CB-CB 4.5Å; V6-L28 PolarHBondContact N-O 2.93Å; V6-L28 PolarHBondContact O-N 2.86Å; F8-L28 HydrophobicContact CE1-CB 4.4Å; L28-I30 HydrophobicContact CD2-CD1 3.91Å; L28-I30 HydrophobicContact CD2-CG1 3.94Å; L28-I30 HydrophobicContact CG-CG1 4.36Å; L28-I39 HydrophobicContact CD1-CG2 3.89Å; L28-I39 HydrophobicContact CD2-CG2 4.25Å; L28-I39 HydrophobicContact CG-CG2 4.05Å; L28-D40 WeakPolarHBondContact CA-O 3.19Å; L28-L41 HydrophobicContact CD1-CB 4.43Å; L28-L41 HydrophobicContact CD1-CD1 3.85Å; L28-L59 HydrophobicContact CD2-CD2 4.23Å; L28-I70 HydrophobicContact CD2-CB 4.46Å; L28-I70 HydrophobicContact CD2-CD1 3.51Å; L28-I70 HydrophobicContact CD2-CG2 4.06Å; L28-I72 HydrophobicContact CD1-CD1 3.67Å
29L81.4Confident72.4Confident12 Ų1271.3 Ų71.36%0.06335%0.35CS..EExtended strand (participates in β ladder)trans-101.7121.6166.4-103.390.1000108.7V3 H4 R5 I39 D40 L42V3-L29 HydrophobicContact CG1-CD2 3.73Å; V3-L29 HydrophobicContact CG1-CG 4.08Å; H4-L29 WeakPolarHBondContact O-CA 3.28Å; R5-L29 HydrophobicContact CG-CD1 3.77Å; R5-L29 HydrophobicContact CG-CG 3.84Å; L29-I39 CarbonylContact O-C 3.53Å; L29-I39 WeakPolarHBondContact O-CA 3.31Å; L29-D40 HydrophobicContact CB-CB 4.12Å; L29-D40 PolarHBondContact N-O 2.86Å; L29-D40 PolarHBondContact O-N 3.08Å; L29-L42 HydrophobicContact CD1-CD1 4.3Å
30I82.1Confident73.7Confident0 Ų067.8 Ų67.80%034%0.336CS..EExtended strand (participates in β ladder)trans-111.5125.6172.3-53.2174.5000107.6V3 H4 L28 I37 D38 C61 F63 I70V3-I30 WeakPolarHBondContact CA-O 3.34Å; H4-I30 HydrophobicContact CB-CB 4.29Å; H4-I30 PolarHBondContact N-O 3.05Å; H4-I30 PolarHBondContact O-N 2.91Å; L28-I30 HydrophobicContact CD2-CD1 3.91Å; L28-I30 HydrophobicContact CD2-CG1 3.94Å; L28-I30 HydrophobicContact CG-CG1 4.36Å; I30-I37 HydrophobicContact CG2-CG2 3.86Å; I30-D38 CarbonylContact C-O 3.59Å; I30-D38 WeakPolarHBondContact CA-O 3.41Å; I30-C61 HydrophobicContact CD1-CB 4.45Å; I30-C61 WeakPolarHBondContact CD1-SG 3.45Å; I30-F63 HydrophobicContact CG2-CD1 4.08Å; I30-F63 HydrophobicContact CG2-CD2 4.46Å; I30-F63 HydrophobicContact CG2-CE1 4.17Å; I30-F63 HydrophobicContact CG2-CG 4.21Å; I30-F63 HydrophobicContact CG2-CZ 4.44Å; I30-I70 HydrophobicContact CD1-CD1 3.61Å; I30-I70 HydrophobicContact CG1-CD1 4.32Å
31R83.1Confident75Confident82 Ų8270 Ų7031%0.30935%0.347SS..EExtended strand (participates in β ladder)trans-130.7143.2-177.9-36.7-178.7-153.1-169.94109.8M1 V3 I37 D38 D40M1-R31 HydrophobicContact CE-CB 4.01Å; V3-R31 HydrophobicContact CG1-CG 4.33Å; V3-R31 HydrophobicContact CG2-CG 4.17Å; R31-I37 WeakPolarHBondContact O-CA 3.3Å; R31-D38 HydrophobicContact CB-CB 4.36Å; R31-D38 PolarHBondContact N-O 2.85Å; R31-D38 PolarHBondContact O-N 2.85Å; R31-D40 IonicContact CZ-OD2 3.97Å; R31-D40 IonicContact NE-OD2 3.3Å; R31-D40 PolarHBondContact NE-OD2 2.92Å; R31-D40 IonicContact NH2-OD2 2.84Å; R31-D40 PolarHBondContact NH2-OD2 2.9Å
32N79.5Confident76.3Confident46 Ų4669.3 Ų69.325%0.24635%0.347CS..EExtended strand (participates in β ladder)trans-103.2124.9167.4-165.9-47.2000109.6S35 T36 F63N32-S35 PolarHBondContact OD1-N 2.89Å; N32-T36 WeakPolarHBondContact CA-O 3.5Å; N32-F63 HydrophobicContact CB-CE1 3.83Å; N32-F63 HydrophobicContact CB-CZ 4.05Å
33R80.5Confident77.2Confident163 Ų16363.5 Ų63.562%0.61533%0.331SS*.EExtended strand (participates in β ladder)trans-133115.2170.5-168.1179-177.9-175.6-0.4109.6M1 S35 T36M1-R33 HydrophobicContact CE-CB 4.34Å; R33-S35 PolarHBondContact O-N 2.99Å; R33-T36 PolarHBondContact N-O 2.9Å; R33-T36 WeakPolarHBondContact O-CB 3.42Å; R33-T36 PolarHBondContact O-N 3.41Å
34N79.8Confident77.4Confident147 Ų14763.7 Ų63.779%0.78633%0.328SS*.THydrogen-bonded Turntrans48.849.9175.4-63.9-4.9000113.9T36N34-T36 PolarHBondContact O-N 2.78Å
35S76Confident77.4Confident119 Ų11967 Ų6783%0.83235%0.345SS*.THydrogen-bonded Turntrans69.86.4-178.4-47.10000115.2N32 R33N32-S35 PolarHBondContact OD1-N 2.89Å; R33-S35 PolarHBondContact O-N 2.99Å
36T77.3Confident76.9Confident83 Ų8371.6 Ų71.651%0.50937%0.367SS..EExtended strand (participates in β ladder)trans-99.3137.3168.5-49.60000109.8N32 R33 N34N32-T36 WeakPolarHBondContact CA-O 3.5Å; R33-T36 PolarHBondContact N-O 2.9Å; R33-T36 WeakPolarHBondContact O-CB 3.42Å; R33-T36 PolarHBondContact O-N 3.41Å; N34-T36 PolarHBondContact O-N 2.78Å
37I81.3Confident76.2Confident56 Ų5673.4 Ų73.429%0.28738%0.379SS..EExtended strand (participates in β ladder)trans-99.3115.8172.6-60178.2000107.8I30 R31 I39 L66 L68I30-I37 HydrophobicContact CG2-CG2 3.86Å; R31-I37 WeakPolarHBondContact O-CA 3.3Å; I37-I39 HydrophobicContact CG2-CD1 4.44Å; I37-I39 HydrophobicContact CG2-CG1 4.04Å; I37-L66 HydrophobicContact CD1-CD1 4.49Å; I37-L68 HydrophobicContact CD1-CD1 4.23Å
38D82.7Confident75.1Confident61 Ų6177.7 Ų77.733%0.32640%0.396SS..EExtended strand (participates in β ladder)trans-95.7127.7173-61.1-37.7000108.8I30 R31I30-D38 CarbonylContact C-O 3.59Å; I30-D38 WeakPolarHBondContact CA-O 3.41Å; R31-D38 HydrophobicContact CB-CB 4.36Å; R31-D38 PolarHBondContact N-O 2.85Å; R31-D38 PolarHBondContact O-N 2.85Å
39I79.9Confident73.8Confident80 Ų8086.3 Ų86.341%0.4143%0.429SS..EExtended strand (participates in β ladder)trans-119.8112.4176.6-57.2171.9000108L28 L29 I37 I70L28-I39 HydrophobicContact CD1-CG2 3.89Å; L28-I39 HydrophobicContact CD2-CG2 4.25Å; L28-I39 HydrophobicContact CG-CG2 4.05Å; L29-I39 CarbonylContact O-C 3.53Å; L29-I39 WeakPolarHBondContact O-CA 3.31Å; I37-I39 HydrophobicContact CG2-CD1 4.44Å; I37-I39 HydrophobicContact CG2-CG1 4.04Å; I39-I70 HydrophobicContact CD1-CD1 3.95Å; I39-I70 HydrophobicContact CG2-CD1 4.5Å
40D79.9Confident72.7Confident58 Ų5886.9 Ų86.931%0.3143%0.431SS..EExtended strand (participates in β ladder)trans-106.1127.9176-54.4-69.7000110.2L28 L29 R31L28-D40 WeakPolarHBondContact CA-O 3.19Å; L29-D40 HydrophobicContact CB-CB 4.12Å; L29-D40 PolarHBondContact N-O 2.86Å; L29-D40 PolarHBondContact O-N 3.08Å; R31-D40 IonicContact CZ-OD2 3.97Å; R31-D40 IonicContact NE-OD2 3.3Å; R31-D40 PolarHBondContact NE-OD2 2.92Å; R31-D40 IonicContact NH2-OD2 2.84Å; R31-D40 PolarHBondContact NH2-OD2 2.9Å
41L79.1Confident71.4Confident84 Ų8490.9 Ų90.944%0.4446%0.456SS..EExtended strand (participates in β ladder)trans-102117.5170.9-176.265.2000109.6F8 F26 L28 I72F8-L41 HydrophobicContact CE1-CD1 4.32Å; F8-L41 HydrophobicContact CZ-CD1 4.16Å; F26-L41 HydrophobicContact CB-CD1 4.25Å; F26-L41 HydrophobicContact CD1-CD1 3.93Å; F26-L41 HydrophobicContact CD1-CG 4.36Å; L28-L41 HydrophobicContact CD1-CB 4.43Å; L28-L41 HydrophobicContact CD1-CD1 3.85Å; L41-I72 HydrophobicContact CD1-CD1 3.95Å; L41-I72 HydrophobicContact CD1-CG2 4.41Å; L41-I72 HydrophobicContact CD2-CG2 3.63Å
42L77.1Confident70.2Confident101 Ų10190 Ų9053%0.52946%0.461SS..EExtended strand (participates in β ladder)trans-111.9131.7171.8-72.3156.7000108.4F26 Y27 L29F26-L42 CarbonylContact C-O 3.58Å; F26-L42 VanDerWaalsContact CA-O 3.31Å; F26-L42 WeakPolarHBondContact CA-O 3.45Å; Y27-L42 PolarHBondContact N-O 3.38Å; Y27-L42 PolarHBondContact O-N 3.04Å; L29-L42 HydrophobicContact CD1-CD1 4.3Å
43S72.1Confident69.4Low72 Ų7288.7 Ų88.750%0.50346%0.456SS..EExtended strand (participates in β ladder)trans-117.9142.9173.958.90000110.1
44F67.7Low68.6Low79 Ų7986.5 Ų86.535%0.34646%0.456SS..EExtended strand (participates in β ladder)trans-117.9131.9157.874.2-88.8000107.3N23 G25 Y27N23-F44 HydrophobicContact CB-CE2 3.86Å; N23-F44 WeakPolarHBondContact O-CD2 3.32Å; N23-F44 VanDerWaalsContact O-CE2 3.3Å; N23-F44 WeakPolarHBondContact O-CE2 3.27Å; G25-F44 PolarHBondContact N-O 2.89Å; G25-F44 VanDerWaalsContact N-O 3.08Å; G25-F44 WeakPolarHBondContact O-CD1 3.31Å; G25-F44 PolarHBondContact O-N 2.97Å; Y27-F44 HydrophobicContact CD2-CD1 4.43Å; Y27-F44 AromaticContact CE2-CD1 3.88Å; Y27-F44 HydrophobicContact CE2-CD1 3.88Å; Y27-F44 AromaticContact CE2-CE1 3.84Å; Y27-F44 HydrophobicContact CE2-CE1 3.84Å
45I67.9Low68.1Low72 Ų7280.1 Ų80.137%0.36942%0.421SS..EExtended strand (participates in β ladder)trans-137.3116-173.2-53.6176.6000108.3I24 C47 M76I24-I45 HydrophobicContact CD1-CG2 3.98Å; I24-I45 HydrophobicContact CG1-CB 4.48Å; I24-I45 HydrophobicContact CG1-CG2 3.78Å; I45-C47 WeakPolarHBondContact CG2-SG 3.25Å; I45-M76 HydrophobicContact CB-CE 4.25Å; I45-M76 HydrophobicContact CD1-CE 3.88Å; I45-M76 HydrophobicContact CD1-SD 4.02Å; I45-M76 HydrophobicContact CG2-CE 3.11Å; I45-M76 HydrophobicContact CG2-SD 3.84Å
46E58.8Low67.5Low98 Ų9879.3 Ų79.346%0.45841%0.407SS..EExtended strand (participates in β ladder)trans-117.3105175.8-146.5175.1-161.900108.9N23N23-E46 HydrophobicContact CB-CB 4.13Å; N23-E46 PolarHBondContact ND2-OE2 3.23Å; N23-E46 PolarHBondContact O-N 3.02Å
47C60.2Low67.2Low42 Ų4278.2 Ų78.228%0.28439%0.394SS..  trans-141.3135.9-172.8-54.60000111.2L20 I45 M50L20-C47 HydrophobicContact CD2-CB 4.49Å; L20-C47 WeakPolarHBondContact CD2-SG 3.48Å; I45-C47 WeakPolarHBondContact CG2-SG 3.25Å; C47-M50 HydrophobicContact CB-CE 3.99Å; C47-M50 HydrophobicContact CB-CG 4Å; C47-M50 HydrophobicContact CB-SD 3.91Å; C47-M50 WeakPolarHBondContact SG-CE 3.2Å
48Y52.4Low66.6Low173 Ų17380 Ų8068%0.67840%0.401SS*.SBendtrans-103.1-29.9-179-82.6-89.2000114
49R52Low66.1Low185 Ų18578.1 Ų78.170%0.69839%0.391SS*.SBendtrans-150.2128.1173.2-79.9-174173.6173-4.3109.5
50M58.4Low65.9Low23 Ų2378.5 Ų78.511%0.11340%0.399CS..  trans-131.5143.8-179.8-82-166.3148.700111.9L20 I24 C47 M76 S78L20-M50 HydrophobicContact CD1-CE 3.97Å; L20-M50 HydrophobicContact CD2-CE 3.63Å; L20-M50 HydrophobicContact CG-CE 3.89Å; I24-M50 HydrophobicContact CD1-CE 3.67Å; C47-M50 HydrophobicContact CB-CE 3.99Å; C47-M50 HydrophobicContact CB-CG 4Å; C47-M50 HydrophobicContact CB-SD 3.91Å; C47-M50 WeakPolarHBondContact SG-CE 3.2Å; M50-M76 HydrophobicContact CE-CE 3.77Å; M50-M76 HydrophobicContact CE-SD 3.58Å; M50-M76 VanDerWaalsContact CE-SD 3.58Å; M50-M76 HydrophobicContact SD-CB 3.78Å; M50-M76 HydrophobicContact SD-CE 3.2Å; M50-M76 WeakPolarHBondContact SD-CE 3.47Å; M50-M76 HydrophobicContact SD-CG 4.35Å; M50-M76 HydrophobicContact SD-SD 3.64Å; M50-M76 VanDerWaalsContact SD-SD 3.64Å; M50-S78 WeakPolarHBondContact O-CB 3.44Å
51V54.6Low65.6Low85 Ų8576.3 Ų76.352%0.51539%0.388SS..  trans-100.7136.5163.7-178.80000106.1S53V51-S53 PolarHBondContact O-N 2.84Å; V51-S53 PolarHBondContact O-OG 2.89Å
52S58.2Low65.4Low62 Ų6278.1 Ų78.143%0.43440%0.397SS..  trans-46.3116.6-178.969.30000111.3M76S52-M76 VanDerWaalsContact CA-O 3.31Å; S52-M76 WeakPolarHBondContact CA-O 3.49Å
53S62.5Low65.1Low19 Ų1973.5 Ų73.513%0.13337%0.373CS..EExtended strand (participates in β ladder)trans-134.5130.4-176.4-64.10000109.8V51 F55 Q75 M76V51-S53 PolarHBondContact O-N 2.84Å; V51-S53 PolarHBondContact O-OG 2.89Å; S53-F55 WeakPolarHBondContact O-CD2 3.46Å; S53-F55 WeakPolarHBondContact O-CE2 3.29Å; S53-Q75 WeakPolarHBondContact O-CA 3.31Å; S53-M76 PolarHBondContact N-O 3.04Å; S53-M76 PolarHBondContact O-N 3.09Å
54L63Low65.2Low117 Ų11773.5 Ų73.561%0.61337%0.367SS*.EExtended strand (participates in β ladder)trans-89.9129.7172.3-167.390.8000108.4T73 Q75L54-T73 HydrophobicContact CD1-CG2 3.71Å; L54-T73 HydrophobicContact CD2-CG2 4.12Å; L54-T73 HydrophobicContact CG-CG2 3.87Å; L54-Q75 HydrophobicContact CD1-CB 4.19Å; L54-Q75 HydrophobicContact CD1-CG 4.47Å
55F68.5Low65.6Low13 Ų1377.6 Ų77.66%0.05739%0.393CS..EExtended strand (participates in β ladder)trans-121.6132.2177.4-60.1-79.2000109.6I12 S53 T73 F74I12-F55 HydrophobicContact CB-CE1 4Å; I12-F55 HydrophobicContact CB-CZ 4.49Å; I12-F55 HydrophobicContact CG1-CD1 4.23Å; I12-F55 HydrophobicContact CG1-CE1 3.7Å; I12-F55 HydrophobicContact CG1-CZ 4.09Å; I12-F55 HydrophobicContact CG2-CE1 3.71Å; I12-F55 HydrophobicContact CG2-CZ 3.86Å; S53-F55 WeakPolarHBondContact O-CD2 3.46Å; S53-F55 WeakPolarHBondContact O-CE2 3.29Å; F55-T73 WeakPolarHBondContact O-CA 3.47Å; F55-F74 HydrophobicContact CB-CD1 4.03Å; F55-F74 HydrophobicContact CB-CD2 4.08Å; F55-F74 HydrophobicContact CB-CE1 3.45Å; F55-F74 VanDerWaalsContact CB-CE1 3.45Å; F55-F74 HydrophobicContact CB-CE2 3.53Å; F55-F74 HydrophobicContact CB-CG 4.3Å; F55-F74 HydrophobicContact CB-CZ 3.14Å; F55-F74 HydrophobicContact CD1-CZ 4.46Å; F55-F74 AromaticContact CD2-CD2 3.8Å; F55-F74 HydrophobicContact CD2-CD2 3.8Å; F55-F74 AromaticContact CD2-CE2 3.2Å; F55-F74 HydrophobicContact CD2-CE2 3.2Å; F55-F74 AromaticContact CD2-CZ 3.72Å; F55-F74 HydrophobicContact CD2-CZ 3.72Å; F55-F74 HydrophobicContact CE2-CE2 4.06Å; F55-F74 HydrophobicContact CG-CD2 4.34Å; F55-F74 HydrophobicContact CG-CE1 4.33Å; F55-F74 AromaticContact CG-CE2 3.56Å; F55-F74 HydrophobicContact CG-CE2 3.56Å; F55-F74 AromaticContact CG-CZ 3.53Å; F55-F74 HydrophobicContact CG-CZ 3.53Å; F55-F74 PolarHBondContact N-O 2.67Å; F55-F74 PolarHBondContact O-N 3.45Å
56L64.3Low65.8Low103 Ų10378.7 Ų78.754%0.53940%0.399SS..EExtended strand (participates in β ladder)trans-109.5131.8173-171.684.1000108.4E58L56-E58 HydrophobicContact CD2-CG 4.01Å; L56-E58 HydrophobicContact CG-CG 4.26Å
57Y70Confident66.6Low60 Ų6080 Ų8024%0.23540%0.404CS..EExtended strand (participates in β ladder)trans-129.3125.1168.7-168.7-101.5000110.3F8 L59 R71 I72F8-Y57 HydrophobicContact CB-CD1 4.31Å; F8-Y57 HydrophobicContact CB-CE1 3.51Å; F8-Y57 HydrophobicContact CB-CE2 4Å; F8-Y57 VanDerWaalsContact CB-OH 3.31Å; F8-Y57 WeakPolarHBondContact CB-OH 3.46Å; F8-Y57 HydrophobicContact CD1-CD1 4.08Å; F8-Y57 AromaticContact CD1-CE1 3.78Å; F8-Y57 HydrophobicContact CD1-CE1 3.78Å; F8-Y57 AromaticContact CD2-CD1 3.27Å; F8-Y57 HydrophobicContact CD2-CD1 3.27Å; F8-Y57 AromaticContact CD2-CD2 3.75Å; F8-Y57 HydrophobicContact CD2-CD2 3.75Å; F8-Y57 AromaticContact CD2-CE1 3.4Å; F8-Y57 HydrophobicContact CD2-CE1 3.4Å; F8-Y57 VanDerWaalsContact CD2-CE1 3.4Å; F8-Y57 AromaticContact CD2-CE2 3.9Å; F8-Y57 HydrophobicContact CD2-CE2 3.9Å; F8-Y57 AromaticContact CD2-CG 3.45Å; F8-Y57 HydrophobicContact CD2-CG 3.45Å; F8-Y57 VanDerWaalsContact CD2-CG 3.45Å; F8-Y57 AromaticContact CD2-CZ 3.74Å; F8-Y57 HydrophobicContact CE1-CD1 4.17Å; F8-Y57 HydrophobicContact CE1-CE1 4.3Å; F8-Y57 AromaticContact CE2-CD1 3.38Å; F8-Y57 HydrophobicContact CE2-CD1 3.38Å; F8-Y57 HydrophobicContact CE2-CD2 4.25Å; F8-Y57 AromaticContact CE2-CE1 3.97Å; F8-Y57 HydrophobicContact CE2-CE1 3.97Å; F8-Y57 AromaticContact CE2-CG 3.53Å; F8-Y57 HydrophobicContact CE2-CG 3.53Å; F8-Y57 AromaticContact CG-CD1 3.64Å; F8-Y57 HydrophobicContact CG-CD1 3.64Å; F8-Y57 HydrophobicContact CG-CD2 4.5Å; F8-Y57 AromaticContact CG-CE1 3.28Å; F8-Y57 HydrophobicContact CG-CE1 3.28Å; F8-Y57 HydrophobicContact CG-CE2 4.24Å; F8-Y57 HydrophobicContact CG-CG 4.23Å; F8-Y57 AromaticContact CG-CZ 3.64Å; F8-Y57 AromaticContact CZ-CD1 3.83Å; F8-Y57 HydrophobicContact CZ-CD1 3.83Å; F8-Y57 HydrophobicContact CZ-CE1 4.38Å; F8-Y57 HydrophobicContact CZ-CG 4.37Å; Y57-L59 HydrophobicContact CD1-CB 4.33Å; Y57-L59 HydrophobicContact CE1-CB 3.87Å; Y57-L59 HydrophobicContact CE1-CD1 3.88Å; Y57-L59 HydrophobicContact CE1-CG 4.42Å; Y57-R71 WeakPolarHBondContact O-CA 3.1Å; Y57-I72 PolarHBondContact N-O 2.92Å; Y57-I72 PolarHBondContact O-N 2.79Å
58E68.9Low67.2Low94 Ų9479.6 Ų79.644%0.43940%0.398SS..EExtended strand (participates in β ladder)trans-112124.4178.2-56-171147.600108.7L56 R71L56-E58 HydrophobicContact CD2-CG 4.01Å; L56-E58 HydrophobicContact CG-CG 4.26Å; E58-R71 HydrophobicContact CG-CG 3.99Å; E58-R71 VanDerWaalsContact OE1-CD 3.29Å; E58-R71 WeakPolarHBondContact OE1-CD 3.5Å; E58-R71 IonicContact OE1-CZ 2.65Å; E58-R71 IonicContact OE1-NE 3.69Å; E58-R71 PolarHBondContact OE1-NE 2.91Å; E58-R71 IonicContact OE1-NH1 2.92Å
59L73.8Confident68.3Low21 Ų2176.3 Ų76.311%0.1139%0.389CS..EExtended strand (participates in β ladder)trans-125.1108179.3-170.883.2000109.9V6 L28 Y57 C61 I70V6-L59 HydrophobicContact CB-CD2 3.93Å; V6-L59 HydrophobicContact CG1-CD1 3.88Å; V6-L59 HydrophobicContact CG1-CD2 3.69Å; V6-L59 HydrophobicContact CG1-CG 4.45Å; V6-L59 HydrophobicContact CG2-CD2 4Å; L28-L59 HydrophobicContact CD2-CD2 4.23Å; Y57-L59 HydrophobicContact CD1-CB 4.33Å; Y57-L59 HydrophobicContact CE1-CB 3.87Å; Y57-L59 HydrophobicContact CE1-CD1 3.88Å; Y57-L59 HydrophobicContact CE1-CG 4.42Å; L59-C61 HydrophobicContact CD2-CB 4.48Å; L59-I70 PolarHBondContact N-O 3.21Å; L59-I70 PolarHBondContact O-N 3.36Å
60P74.6Confident69.3Low87 Ų8768.4 Ų68.457%0.56536%0.36SS*.EExtended strand (participates in β ladder)trans-74.6124.8163.929.3-30.3000109.1F67P60-F67 HydrophobicContact CB-CE2 3.97Å; P60-F67 HydrophobicContact CB-CZ 3.73Å
61C74.6Confident70Confident13 Ų1374.8 Ų74.89%0.08838%0.383CS..EExtended strand (participates in β ladder)trans-128.4140.7172.8106.20000111.5I30 L59 L68I30-C61 HydrophobicContact CD1-CB 4.45Å; I30-C61 WeakPolarHBondContact CD1-SG 3.45Å; L59-C61 HydrophobicContact CD2-CB 4.48Å; C61-L68 PolarHBondContact N-O 3.15Å; C61-L68 PolarHBondContact O-N 2.84Å
62L73Confident70.8Confident122 Ų12271.4 Ų71.464%0.63936%0.362SS*.EExtended strand (participates in β ladder)trans-99.3121.5167.6-97.6145.9000108.4F67L62-F67 HydrophobicContact CG-CD2 4.24Å
63F72.6Confident71.2Confident3 Ų372.3 Ų72.31%0.01337%0.365CS..EExtended strand (participates in β ladder)trans-140.2116.1-178.9-177-102.7000110.1Q2 H4 I30 N32 D65 L66 L68Q2-F63 HydrophobicContact CB-CZ 4.48Å; Q2-F63 HydrophobicContact CG-CE2 4.28Å; H4-F63 HydrophobicContact CB-CD2 3.89Å; H4-F63 HydrophobicContact CB-CE2 3.98Å; H4-F63 AromaticContact ND1-CD2 3.83Å; I30-F63 HydrophobicContact CG2-CD1 4.08Å; I30-F63 HydrophobicContact CG2-CD2 4.46Å; I30-F63 HydrophobicContact CG2-CE1 4.17Å; I30-F63 HydrophobicContact CG2-CG 4.21Å; I30-F63 HydrophobicContact CG2-CZ 4.44Å; N32-F63 HydrophobicContact CB-CE1 3.83Å; N32-F63 HydrophobicContact CB-CZ 4.05Å; F63-D65 PolarHBondContact O-N 2.91Å; F63-L66 PolarHBondContact N-O 3.3Å; F63-L66 VanDerWaalsContact O-CB 3.28Å; F63-L66 WeakPolarHBondContact O-CB 3.37Å; F63-L66 PolarHBondContact O-N 2.92Å; F63-L68 HydrophobicContact CB-CD1 4.1Å
64N72.7Confident71.7Confident72 Ų7272.6 Ų72.639%0.38536%0.364SS..THydrogen-bonded Turntrans4853.7-176.2-69.8-1.2000113.1Q2 L66Q2-N64 PolarHBondContact OE1-OD1 2.66Å; N64-L66 PolarHBondContact O-N 2.73Å
65D77.1Confident71.9Confident165 Ų16571.6 Ų71.688%0.88236%0.356SS*.THydrogen-bonded Turntrans60.85.7-179.1-51.2-44.7000115.3F63F63-D65 PolarHBondContact O-N 2.91Å
66L71.1Confident71.8Confident95 Ų9572.2 Ų72.250%0.49736%0.36SS..EExtended strand (participates in β ladder)trans-95.2126.7170.4-106.3138.4000109.6I37 F63 N64I37-L66 HydrophobicContact CD1-CD1 4.49Å; F63-L66 PolarHBondContact N-O 3.3Å; F63-L66 VanDerWaalsContact O-CB 3.28Å; F63-L66 WeakPolarHBondContact O-CB 3.37Å; F63-L66 PolarHBondContact O-N 2.92Å; N64-L66 PolarHBondContact O-N 2.73Å
67F75.8Confident71.7Confident127 Ų12772.6 Ų72.656%0.55736%0.357SS*.EExtended strand (participates in β ladder)trans-84120.5168.3-174.5-95.6000109.1P60 L62 E69P60-F67 HydrophobicContact CB-CE2 3.97Å; P60-F67 HydrophobicContact CB-CZ 3.73Å; L62-F67 HydrophobicContact CG-CD2 4.24Å; F67-E69 HydrophobicContact CE1-CB 4.28Å
68L72.9Confident71.4Confident32 Ų3270.8 Ų70.817%0.16835%0.353CS..EExtended strand (participates in β ladder)trans-115.4122.2177.6-77.6147.5000108.8I37 C61 F63 I70I37-L68 HydrophobicContact CD1-CD1 4.23Å; C61-L68 PolarHBondContact N-O 3.15Å; C61-L68 PolarHBondContact O-N 2.84Å; F63-L68 HydrophobicContact CB-CD1 4.1Å; L68-I70 HydrophobicContact CB-CD1 4.45Å; L68-I70 HydrophobicContact CB-CG1 4.31Å
69E75.3Confident71Confident105 Ų10571 Ų7149%0.49137%0.365SS..EExtended strand (participates in β ladder)trans-99.9110.2168-169-172.8147.400108.4F67 R71F67-E69 HydrophobicContact CE1-CB 4.28Å; E69-R71 IonicContact OE1-CZ 3.12Å; E69-R71 IonicContact OE1-NE 3.21Å; E69-R71 PolarHBondContact OE1-NE 3.33Å; E69-R71 IonicContact OE1-NH2 2.73Å; E69-R71 PolarHBondContact OE1-NH2 3.1Å
70I73.3Confident70.4Confident19 Ų1973.9 Ų73.910%0.09739%0.387CS..EExtended strand (participates in β ladder)trans-108.2115.9-176.3-57.5177.8000108.2L28 I30 I39 L59 L68 I72L28-I70 HydrophobicContact CD2-CB 4.46Å; L28-I70 HydrophobicContact CD2-CD1 3.51Å; L28-I70 HydrophobicContact CD2-CG2 4.06Å; I30-I70 HydrophobicContact CD1-CD1 3.61Å; I30-I70 HydrophobicContact CG1-CD1 4.32Å; I39-I70 HydrophobicContact CD1-CD1 3.95Å; I39-I70 HydrophobicContact CG2-CD1 4.5Å; L59-I70 PolarHBondContact N-O 3.21Å; L59-I70 PolarHBondContact O-N 3.36Å; L68-I70 HydrophobicContact CB-CD1 4.45Å; L68-I70 HydrophobicContact CB-CG1 4.31Å; I70-I72 HydrophobicContact CG2-CD1 4.2Å; I70-I72 HydrophobicContact CG2-CG1 3.99Å
71R72.6Confident69.3Low156 Ų15673.5 Ų73.559%0.58938%0.38SS*.EExtended strand (participates in β ladder)trans-105.6125.3173.9-57.1-167.6-166.2169.93.7110Y57 E58 E69Y57-R71 WeakPolarHBondContact O-CA 3.1Å; E58-R71 HydrophobicContact CG-CG 3.99Å; E58-R71 VanDerWaalsContact OE1-CD 3.29Å; E58-R71 WeakPolarHBondContact OE1-CD 3.5Å; E58-R71 IonicContact OE1-CZ 2.65Å; E58-R71 IonicContact OE1-NE 3.69Å; E58-R71 PolarHBondContact OE1-NE 2.91Å; E58-R71 IonicContact OE1-NH1 2.92Å; E69-R71 IonicContact OE1-CZ 3.12Å; E69-R71 IonicContact OE1-NE 3.21Å; E69-R71 PolarHBondContact OE1-NE 3.33Å; E69-R71 IonicContact OE1-NH2 2.73Å; E69-R71 PolarHBondContact OE1-NH2 3.1Å
72I71.2Confident68.1Low14 Ų1477.3 Ų77.37%0.07241%0.406CS..EExtended strand (participates in β ladder)trans-119.2114.4-178.2-57163.4000107F8 L28 L41 Y57 I70 F74F8-I72 HydrophobicContact CE1-CD1 3.75Å; F8-I72 HydrophobicContact CE2-CD1 4.43Å; F8-I72 HydrophobicContact CZ-CD1 3.41Å; F8-I72 VanDerWaalsContact CZ-CD1 3.41Å; L28-I72 HydrophobicContact CD1-CD1 3.67Å; L41-I72 HydrophobicContact CD1-CD1 3.95Å; L41-I72 HydrophobicContact CD1-CG2 4.41Å; L41-I72 HydrophobicContact CD2-CG2 3.63Å; Y57-I72 PolarHBondContact N-O 2.92Å; Y57-I72 PolarHBondContact O-N 2.79Å; I70-I72 HydrophobicContact CG2-CD1 4.2Å; I70-I72 HydrophobicContact CG2-CG1 3.99Å; I72-F74 HydrophobicContact CG2-CD1 4.36Å
73T68.5Low66.7Low82 Ų8284.4 Ų84.450%0.50343%0.426SS..EExtended strand (participates in β ladder)trans-106.3125.6171.9-45.30000107.9L54 F55L54-T73 HydrophobicContact CD1-CG2 3.71Å; L54-T73 HydrophobicContact CD2-CG2 4.12Å; L54-T73 HydrophobicContact CG-CG2 3.87Å; F55-T73 WeakPolarHBondContact O-CA 3.47Å
74F71.3Confident66.4Low25 Ų2588.5 Ų88.511%0.1145%0.447CS..EExtended strand (participates in β ladder)trans-132.1140.3172.163.1-85000109.8P10 F26 F55 I72 M76P10-F74 HydrophobicContact CB-CE1 4.17Å; P10-F74 HydrophobicContact CB-CZ 3.9Å; P10-F74 HydrophobicContact CG-CE1 3.78Å; P10-F74 HydrophobicContact CG-CE2 4.47Å; P10-F74 HydrophobicContact CG-CZ 3.35Å; F26-F74 HydrophobicContact CD2-CE1 4.39Å; F26-F74 HydrophobicContact CE1-CD1 4.02Å; F26-F74 HydrophobicContact CE1-CD2 4.45Å; F26-F74 HydrophobicContact CE1-CE1 4.22Å; F26-F74 HydrophobicContact CE1-CG 4.16Å; F26-F74 HydrophobicContact CE2-CD1 4.16Å; F26-F74 HydrophobicContact CE2-CD2 4.45Å; F26-F74 AromaticContact CE2-CE1 3.54Å; F26-F74 HydrophobicContact CE2-CE1 3.54Å; F26-F74 AromaticContact CE2-CE2 3.86Å; F26-F74 HydrophobicContact CE2-CE2 3.86Å; F26-F74 AromaticContact CE2-CZ 3.38Å; F26-F74 HydrophobicContact CE2-CZ 3.38Å; F26-F74 AromaticContact CZ-CD1 3.59Å; F26-F74 HydrophobicContact CZ-CD1 3.59Å; F26-F74 AromaticContact CZ-CD2 3.65Å; F26-F74 HydrophobicContact CZ-CD2 3.65Å; F26-F74 AromaticContact CZ-CE1 3.44Å; F26-F74 HydrophobicContact CZ-CE1 3.44Å; F26-F74 VanDerWaalsContact CZ-CE1 3.44Å; F26-F74 AromaticContact CZ-CE2 3.49Å; F26-F74 HydrophobicContact CZ-CE2 3.49Å; F26-F74 VanDerWaalsContact CZ-CE2 3.49Å; F26-F74 AromaticContact CZ-CG 3.71Å; F26-F74 HydrophobicContact CZ-CG 3.71Å; F26-F74 AromaticContact CZ-CZ 3.4Å; F26-F74 HydrophobicContact CZ-CZ 3.4Å; F26-F74 VanDerWaalsContact CZ-CZ 3.4Å; F55-F74 HydrophobicContact CB-CD1 4.03Å; F55-F74 HydrophobicContact CB-CD2 4.08Å; F55-F74 HydrophobicContact CB-CE1 3.45Å; F55-F74 VanDerWaalsContact CB-CE1 3.45Å; F55-F74 HydrophobicContact CB-CE2 3.53Å; F55-F74 HydrophobicContact CB-CG 4.3Å; F55-F74 HydrophobicContact CB-CZ 3.14Å; F55-F74 HydrophobicContact CD1-CZ 4.46Å; F55-F74 AromaticContact CD2-CD2 3.8Å; F55-F74 HydrophobicContact CD2-CD2 3.8Å; F55-F74 AromaticContact CD2-CE2 3.2Å; F55-F74 HydrophobicContact CD2-CE2 3.2Å; F55-F74 AromaticContact CD2-CZ 3.72Å; F55-F74 HydrophobicContact CD2-CZ 3.72Å; F55-F74 HydrophobicContact CE2-CE2 4.06Å; F55-F74 HydrophobicContact CG-CD2 4.34Å; F55-F74 HydrophobicContact CG-CE1 4.33Å; F55-F74 AromaticContact CG-CE2 3.56Å; F55-F74 HydrophobicContact CG-CE2 3.56Å; F55-F74 AromaticContact CG-CZ 3.53Å; F55-F74 HydrophobicContact CG-CZ 3.53Å; F55-F74 PolarHBondContact N-O 2.67Å; F55-F74 PolarHBondContact O-N 3.45Å; I72-F74 HydrophobicContact CG2-CD1 4.36Å; F74-M76 HydrophobicContact CD2-CG 4.06Å; F74-M76 HydrophobicContact CE2-CG 4.33Å; F74-M76 HydrophobicContact CE2-SD 4.45Å
75Q67.7Low66.1Low96 Ų9689.4 Ų89.445%0.44945%0.45SS..EExtended strand (participates in β ladder)trans-113.6128.4174.5-166.3169.9-1.200107.8S53 L54 F77S53-Q75 WeakPolarHBondContact O-CA 3.31Å; L54-Q75 HydrophobicContact CD1-CB 4.19Å; L54-Q75 HydrophobicContact CD1-CG 4.47Å; Q75-F77 HydrophobicContact CB-CE2 3.91Å; Q75-F77 HydrophobicContact CB-CZ 4.04Å; Q75-F77 HydrophobicContact CG-CD2 4.44Å; Q75-F77 HydrophobicContact CG-CE1 3.94Å; Q75-F77 HydrophobicContact CG-CE2 3.75Å; Q75-F77 HydrophobicContact CG-CZ 3.48Å; Q75-F77 VanDerWaalsContact CG-CZ 3.48Å; Q75-F77 VanDerWaalsContact NE2-CE1 3.28Å
76M66.9Low65.5Low25 Ų2585.2 Ų85.212%0.12343%0.426CS..EExtended strand (participates in β ladder)trans-103.4132.6175.1-71.9-161.669.100109.2I24 I45 M50 S52 S53 F74I24-M76 HydrophobicContact CD1-SD 3.71Å; I45-M76 HydrophobicContact CB-CE 4.25Å; I45-M76 HydrophobicContact CD1-CE 3.88Å; I45-M76 HydrophobicContact CD1-SD 4.02Å; I45-M76 HydrophobicContact CG2-CE 3.11Å; I45-M76 HydrophobicContact CG2-SD 3.84Å; M50-M76 HydrophobicContact CE-CE 3.77Å; M50-M76 HydrophobicContact CE-SD 3.58Å; M50-M76 VanDerWaalsContact CE-SD 3.58Å; M50-M76 HydrophobicContact SD-CB 3.78Å; M50-M76 HydrophobicContact SD-CE 3.2Å; M50-M76 WeakPolarHBondContact SD-CE 3.47Å; M50-M76 HydrophobicContact SD-CG 4.35Å; M50-M76 HydrophobicContact SD-SD 3.64Å; M50-M76 VanDerWaalsContact SD-SD 3.64Å; S52-M76 VanDerWaalsContact CA-O 3.31Å; S52-M76 WeakPolarHBondContact CA-O 3.49Å; S53-M76 PolarHBondContact N-O 3.04Å; S53-M76 PolarHBondContact O-N 3.09Å; F74-M76 HydrophobicContact CD2-CG 4.06Å; F74-M76 HydrophobicContact CE2-CG 4.33Å; F74-M76 HydrophobicContact CE2-SD 4.45Å
77F62.2Low65.2Low112 Ų11284.6 Ų84.649%0.49142%0.422SS..  trans-116.3145177.2-58.4-85.6000109.4Q75Q75-F77 HydrophobicContact CB-CE2 3.91Å; Q75-F77 HydrophobicContact CB-CZ 4.04Å; Q75-F77 HydrophobicContact CG-CD2 4.44Å; Q75-F77 HydrophobicContact CG-CE1 3.94Å; Q75-F77 HydrophobicContact CG-CE2 3.75Å; Q75-F77 HydrophobicContact CG-CZ 3.48Å; Q75-F77 VanDerWaalsContact CG-CZ 3.48Å; Q75-F77 VanDerWaalsContact NE2-CE1 3.28Å
78S62.5Low64.5Low21 Ų2181.9 Ų81.915%0.14741%0.413CS..  trans-68.9148.1164.2178.50000109.5M50 S80 D81M50-S78 WeakPolarHBondContact O-CB 3.44Å; S78-S80 WeakPolarHBondContact CB-OG 3.32Å; S78-S80 PolarHBondContact O-N 2.95Å; S78-S80 VanDerWaalsContact O-N 3.15Å; S78-S80 PolarHBondContact OG-N 3.24Å; S78-S80 VanDerWaalsContact OG-N 3.09Å; S78-S80 PolarHBondContact OG-OG 2.9Å; S78-D81 VanDerWaalsContact CB-OD2 3.28Å; S78-D81 WeakPolarHBondContact CB-OD2 3.41Å; S78-D81 PolarHBondContact N-OD2 2.9Å; S78-D81 VanDerWaalsContact N-OD2 3.1Å; S78-D81 WeakPolarHBondContact O-CB 3.47Å; S78-D81 PolarHBondContact O-N 2.74Å
79S62.2Low64Low99 Ų9985.3 Ų85.369%0.69243%0.43SS*.G310 helixtrans-59.2-22.3167.557.30000112.4D81 Y83S79-D81 VanDerWaalsContact C-N 3.35Å; S79-Y83 WeakPolarHBondContact O-CD2 3.46Å; S79-Y83 WeakPolarHBondContact O-CE2 3.28Å
80S59.5Low63.1Low82 Ų8283.9 Ų83.957%0.57343%0.425SS*.G310 helixtrans-75.2-18.717264.70000114.4S78 C82S78-S80 WeakPolarHBondContact CB-OG 3.32Å; S78-S80 PolarHBondContact O-N 2.95Å; S78-S80 VanDerWaalsContact O-N 3.15Å; S78-S80 PolarHBondContact OG-N 3.24Å; S78-S80 VanDerWaalsContact OG-N 3.09Å; S78-S80 PolarHBondContact OG-OG 2.9Å; S80-C82 VanDerWaalsContact C-N 3.34Å
81D52.7Low62.4Low79 Ų7988.8 Ų88.842%0.42245%0.451SS..G310 helixtrans-88.8-5.3-179.1-57-23.5000112S78 S79S78-D81 VanDerWaalsContact CB-OD2 3.28Å; S78-D81 WeakPolarHBondContact CB-OD2 3.41Å; S78-D81 PolarHBondContact N-OD2 2.9Å; S78-D81 VanDerWaalsContact N-OD2 3.1Å; S78-D81 WeakPolarHBondContact O-CB 3.47Å; S78-D81 PolarHBondContact O-N 2.74Å; S79-D81 VanDerWaalsContact C-N 3.35Å
82C50.1Low61.5Low92 Ų9283.3 Ų83.362%0.62244%0.439SS*.  trans-94.113.7-176.8-64.10000114.1S80S80-C82 VanDerWaalsContact C-N 3.34Å
83Y43.3Very low60.6Low272 Ų27289.5 Ų89.5100%1.06747%0.473SS*.  trans-123.40-178.7-70.9-79.9000112.4S79S79-Y83 WeakPolarHBondContact O-CD2 3.46Å; S79-Y83 WeakPolarHBondContact O-CE2 3.28Å

Retrieved 83 of 83 residues in 28.1 ms (Link to these results)

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