G4LX65_SCHMA Loading...

Molybdopterin synthase sulfur carrier subunit

Acts as a sulfur carrier required for molybdopterin biosynthesis. Component of the molybdopterin synthase complex that catalyzes the conversion of precursor Z into molybdopterin by mediating the incorporation of 2 sulfur atoms into precursor Z to generate a dithiolene group. In the complex, serves as sulfur donor by being thiocarboxylated (-COSH) at its C-terminus by MOCS3. After interaction with MOCS2B, the sulfur is then transferred to precursor Z to form molybdopterin.

AlphaFold DB , UniProt , Accession G4LX65, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 89 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
1M60Low89.6Confident235 Ų23573.9 Ų73.9100%1.15837%0.373SS*.  0130.20-76.6-179.8-17600107.4
2T83.3Confident89.8Confident97 Ų9771.1 Ų71.160%0.59538%0.376SS*.  trans-82.8128174.2-46.20000108.2L29T2-L29 HydrophobicContact CG2-CD1 3.76Å; T2-L29 HydrophobicContact CG2-CD2 3.83Å; T2-L29 HydrophobicContact CG2-CG 3.91Å; T2-L29 PolarHBondContact O-N 2.92Å
3I89.6Confident89.9Confident89 Ų8972.8 Ų72.846%0.45638%0.381SS..EExtended strand (participates in β ladder)trans-114.5152.2175.857.3175.8000108.5Q26 F27I3-Q26 HydrophobicContact CD1-CB 4.42Å; I3-Q26 HydrophobicContact CD1-CG 4.27Å; I3-F27 CarbonylContact C-O 3.57Å; I3-F27 VanDerWaalsContact CA-O 3.24Å; I3-F27 WeakPolarHBondContact CA-O 3.04Å
4C90.8Very high90.2Very high22 Ų2267.6 Ų67.615%0.14935%0.354CS..EExtended strand (participates in β ladder)trans-124.5144.8174.760.20000109.7Q26 F27 L29 I74C4-Q26 WeakPolarHBondContact O-CA 3.25Å; C4-F27 PolarHBondContact N-O 3.25Å; C4-F27 PolarHBondContact O-N 2.91Å; C4-L29 HydrophobicContact CB-CD2 4.17Å; C4-I74 VanDerWaalsContact SG-CB 3.6Å; C4-I74 WeakPolarHBondContact SG-CG2 2.94Å
5N92.7Very high90.4Very high108 Ų10864.7 Ų64.758%0.57834%0.342SS*.EExtended strand (participates in β ladder)trans-90.2119.6177.1-63.6-69000108T24 Q26N5-T24 HydrophobicContact CB-CG2 3.69Å; N5-Q26 WeakPolarHBondContact OD1-CG 3.3Å; N5-Q26 PolarHBondContact OD1-NE2 3.03Å
6K93.3Very high90.6Very high41 Ų4170 Ų7018%0.17836%0.364CS..EExtended strand (participates in β ladder)trans-120.9132.9178.2-163.471.9-152.4164.90110.6T24 I25 F27 I74 I77 E78K6-T24 WeakPolarHBondContact O-CA 3.12Å; K6-I25 PolarHBondContact N-O 3.09Å; K6-I25 PolarHBondContact O-N 2.81Å; K6-F27 HydrophobicContact CB-CD2 3.64Å; K6-F27 HydrophobicContact CB-CE2 3.77Å; K6-I74 HydrophobicContact CB-CG2 4.24Å; K6-I74 HydrophobicContact CG-CG2 4.42Å; K6-I77 WeakPolarHBondContact CE-O 3.11Å; K6-I77 PolarHBondContact NZ-O 2.83Å; K6-E78 WeakPolarHBondContact CE-O 3.2Å; K6-E78 VanDerWaalsContact NZ-C 3.32Å; K6-E78 PolarHBondContact NZ-O 2.87Å
7K95Very high90.7Very high96 Ų9669.6 Ų69.642%0.41736%0.362SS..EExtended strand (participates in β ladder)trans-72.1132.4171.9178.2166.365.9172.20110.1L9 E22K7-L9 HydrophobicContact CD-CD2 4.06Å; K7-L9 HydrophobicContact CG-CD2 4.25Å; K7-E22 HydrophobicContact CD-CB 4.03Å; K7-E22 HydrophobicContact CD-CG 4.28Å; K7-E22 WeakPolarHBondContact CD-OE2 3.46Å; K7-E22 HydrophobicContact CG-CB 4.28Å; K7-E22 IonicContact NZ-OE2 3.07Å; K7-E22 PolarHBondContact NZ-OE2 3.4Å
8V95.8Very high90.9Very high0 Ų066.6 Ų66.60%035%0.347CS..EExtended strand (participates in β ladder)trans-117.5120175.7-171.10000108.2E22 I23 I25 F27 I40 L80 I82V8-E22 CarbonylContact O-C 3.59Å; V8-E22 VanDerWaalsContact O-CA 3.3Å; V8-E22 WeakPolarHBondContact O-CA 3.03Å; V8-I23 HydrophobicContact CB-CG2 4.27Å; V8-I23 PolarHBondContact N-O 3.21Å; V8-I23 PolarHBondContact O-N 2.87Å; V8-I25 HydrophobicContact CB-CD1 4.42Å; V8-I25 HydrophobicContact CG2-CB 4.15Å; V8-I25 HydrophobicContact CG2-CD1 3.9Å; V8-I25 HydrophobicContact CG2-CG1 4.11Å; V8-F27 HydrophobicContact CG2-CE2 4.06Å; V8-F27 HydrophobicContact CG2-CZ 4.07Å; V8-I40 HydrophobicContact CG1-CD1 4.34Å; V8-L80 CarbonylContact C-O 3.58Å; V8-L80 WeakPolarHBondContact CA-O 3.48Å; V8-L80 HydrophobicContact CG1-CD2 4.33Å; V8-L80 HydrophobicContact CG1-CG 4.44Å; V8-L80 HydrophobicContact CG2-CD2 3.64Å; V8-L80 HydrophobicContact CG2-CG 4.42Å; V8-I82 HydrophobicContact CG1-CD1 4.37Å; V8-I82 HydrophobicContact CG1-CG1 3.48Å; V8-I82 VanDerWaalsContact CG1-CG1 3.48Å
9L96.7Very high91.1Very high25 Ų2566.2 Ų66.213%0.13136%0.361CS..EExtended strand (participates in β ladder)trans-85.6135.7175.3-58.2179000109.4K7 F11 E22 E79 L80 A81 I82K7-L9 HydrophobicContact CD-CD2 4.06Å; K7-L9 HydrophobicContact CG-CD2 4.25Å; L9-F11 HydrophobicContact CB-CD2 4.41Å; L9-F11 HydrophobicContact CB-CE2 3.63Å; L9-F11 HydrophobicContact CB-CZ 4.21Å; L9-F11 HydrophobicContact CD1-CE2 4.39Å; L9-F11 HydrophobicContact CD1-CZ 4.36Å; L9-E22 HydrophobicContact CD2-CB 3.76Å; L9-E79 HydrophobicContact CD1-CG 3.88Å; L9-L80 PolarHBondContact N-O 3.49Å; L9-A81 HydrophobicContact CB-CB 4.2Å; L9-A81 CarbonylContact O-C 3.06Å; L9-A81 WeakPolarHBondContact O-CA 3.29Å; L9-I82 PolarHBondContact O-N 3.11Å
10L94.9Very high91.3Very high4 Ų466.4 Ų66.42%0.02137%0.367CS..EExtended strand (participates in β ladder)trans-114.4129.6-179.2-63158.6000107.8A14 S15 V18 C20 K21 I23 L44 L47 I82L10-A14 HydrophobicContact CD2-CB 4.26Å; L10-S15 WeakPolarHBondContact O-CB 3.39Å; L10-V18 HydrophobicContact CD1-CB 3.79Å; L10-V18 HydrophobicContact CD1-CG1 3.71Å; L10-V18 HydrophobicContact CD1-CG2 3.92Å; L10-V18 HydrophobicContact CD2-CG2 4.26Å; L10-C20 WeakPolarHBondContact CD1-O 3.27Å; L10-K21 PolarHBondContact N-O 2.9Å; L10-I23 HydrophobicContact CD1-CG2 4.02Å; L10-L44 HydrophobicContact CD1-CD1 4.46Å; L10-L44 HydrophobicContact CD2-CD1 3.97Å; L10-L47 HydrophobicContact CD2-CD1 3.96Å; L10-I82 HydrophobicContact CD2-CB 3.95Å; L10-I82 HydrophobicContact CD2-CG1 4.21Å; L10-I82 HydrophobicContact CD2-CG2 4.05Å
11F93.2Very high91.4Very high96 Ų9671.2 Ų71.242%0.42138%0.384SS..  trans-119.9156.1179.5-67.2-88000111.4L9 E13 A14 S15 A81 I82 L83 P84L9-F11 HydrophobicContact CB-CD2 4.41Å; L9-F11 HydrophobicContact CB-CE2 3.63Å; L9-F11 HydrophobicContact CB-CZ 4.21Å; L9-F11 HydrophobicContact CD1-CE2 4.39Å; L9-F11 HydrophobicContact CD1-CZ 4.36Å; F11-E13 PolarHBondContact O-N 2.98Å; F11-A14 WeakPolarHBondContact O-CB 3.41Å; F11-A14 PolarHBondContact O-N 3.25Å; F11-A14 VanDerWaalsContact O-N 3.14Å; F11-S15 PolarHBondContact O-N 2.69Å; F11-A81 HydrophobicContact CD2-CB 4.32Å; F11-A81 HydrophobicContact CE2-CB 3.84Å; F11-I82 PolarHBondContact N-O 3.07Å; F11-L83 HydrophobicContact CB-CD2 4.06Å; F11-L83 HydrophobicContact CD2-CD2 3.59Å; F11-L83 HydrophobicContact CE2-CD2 4.28Å; F11-L83 HydrophobicContact CG-CD2 3.96Å; F11-P84 WeakPolarHBondContact O-CD 2.94Å; F11-P84 VanDerWaalsContact O-CG 3.27Å; F11-P84 WeakPolarHBondContact O-CG 3.33Å
12G92.1Very high93.2Very high40 Ų4065 Ų6541%0.41235%0.352SS..Hα-helixtrans48.3-134175.600000113.1A14 S15 E16G12-A14 PolarHBondContact O-N 3.16Å; G12-A14 VanDerWaalsContact O-N 3.14Å; G12-S15 WeakPolarHBondContact O-CB 3.4Å; G12-S15 PolarHBondContact O-N 3.44Å; G12-S15 PolarHBondContact O-OG 3.41Å; G12-E16 PolarHBondContact O-N 3.14Å; G12-E16 VanDerWaalsContact O-N 3.16Å
13E91.9Very high93.7Very high94 Ų9463.1 Ų63.144%0.43934%0.337SS..Hα-helixtrans-55.2-33-178.6-167.1175.652.200113.2F11 S15 E16 L17 L50 P84F11-E13 PolarHBondContact O-N 2.98Å; E13-S15 VanDerWaalsContact C-N 3.34Å; E13-S15 PolarHBondContact O-N 2.92Å; E13-E16 PolarHBondContact O-N 3.14Å; E13-L17 HydrophobicContact CG-CD1 4.19Å; E13-L17 HydrophobicContact CG-CG 4.32Å; E13-L17 WeakPolarHBondContact O-CB 3.39Å; E13-L17 VanDerWaalsContact O-CG 3.27Å; E13-L17 WeakPolarHBondContact O-CG 3.49Å; E13-L17 PolarHBondContact O-N 3.2Å; E13-L50 HydrophobicContact CB-CD1 4.15Å; E13-L50 HydrophobicContact CG-CD1 4.01Å; E13-L50 WeakPolarHBondContact OE1-CD1 3.43Å; E13-L50 WeakPolarHBondContact OE1-CD2 3.24Å; E13-P84 HydrophobicContact CB-CB 4.17Å; E13-P84 HydrophobicContact CB-CG 4.49Å
14A92.9Very high94Very high0 Ų063.1 Ų63.10%034%0.342CS..Hα-helixtrans-64.2-39.5175.900000112.1L10 F11 G12 V18 L47 L54 I82L10-A14 HydrophobicContact CD2-CB 4.26Å; F11-A14 WeakPolarHBondContact O-CB 3.41Å; F11-A14 PolarHBondContact O-N 3.25Å; F11-A14 VanDerWaalsContact O-N 3.14Å; G12-A14 PolarHBondContact O-N 3.16Å; G12-A14 VanDerWaalsContact O-N 3.14Å; A14-V18 WeakPolarHBondContact O-CB 3.27Å; A14-V18 VanDerWaalsContact O-CG2 3.27Å; A14-V18 WeakPolarHBondContact O-CG2 3.41Å; A14-V18 PolarHBondContact O-N 3.44Å; A14-V18 VanDerWaalsContact O-N 3.11Å; A14-L47 HydrophobicContact CB-CD2 3.56Å; A14-L54 HydrophobicContact CB-CD1 4.11Å; A14-I82 HydrophobicContact CB-CG2 3.72Å
15S94.1Very high94.1Very high24 Ų2462.4 Ų62.417%0.16834%0.337CS..Hα-helixtrans-70.5-32.8175.570.80000112.7L10 F11 G12 E13 G19 C20L10-S15 WeakPolarHBondContact O-CB 3.39Å; F11-S15 PolarHBondContact O-N 2.69Å; G12-S15 WeakPolarHBondContact O-CB 3.4Å; G12-S15 PolarHBondContact O-N 3.44Å; G12-S15 PolarHBondContact O-OG 3.41Å; E13-S15 VanDerWaalsContact C-N 3.34Å; E13-S15 PolarHBondContact O-N 2.92Å; S15-G19 CarbonylContact O-C 3.56Å; S15-G19 WeakPolarHBondContact O-CA 3.14Å; S15-G19 PolarHBondContact O-N 2.81Å; S15-C20 WeakPolarHBondContact CA-O 3.47Å; S15-C20 WeakPolarHBondContact CB-O 3.27Å; S15-C20 PolarHBondContact O-N 2.74Å
16E93Very high94.1Very high149 Ų14961.6 Ų61.670%0.69633%0.329SS*.Hα-helixtrans-69.8-45.4176.9-66.3177.793.200111.4G12 E13 V18 G19G12-E16 PolarHBondContact O-N 3.14Å; G12-E16 VanDerWaalsContact O-N 3.16Å; E13-E16 PolarHBondContact O-N 3.14Å; E16-V18 PolarHBondContact O-N 2.87Å; E16-G19 PolarHBondContact O-N 3.11Å
17L92.7Very high94.1Very high64 Ų6459.7 Ų59.734%0.33532%0.321SS..Hα-helixtrans-60.5-45.8175.7-73.2171000111.4E13 K46 L50E13-L17 HydrophobicContact CG-CD1 4.19Å; E13-L17 HydrophobicContact CG-CG 4.32Å; E13-L17 WeakPolarHBondContact O-CB 3.39Å; E13-L17 VanDerWaalsContact O-CG 3.27Å; E13-L17 WeakPolarHBondContact O-CG 3.49Å; E13-L17 PolarHBondContact O-N 3.2Å; L17-K46 WeakPolarHBondContact O-CD 3.42Å; L17-L50 HydrophobicContact CD1-CD1 3.5Å; L17-L50 VanDerWaalsContact CD1-CD1 3.5Å; L17-L50 HydrophobicContact CD1-CG 3.72Å
18V93.8Very high94Very high14 Ų1457.4 Ų57.49%0.08532%0.316CS..Hα-helixtrans-72.9-37.6-179.3178.30000111.4L10 A14 E16 C20 L44 K46 L47L10-V18 HydrophobicContact CD1-CB 3.79Å; L10-V18 HydrophobicContact CD1-CG1 3.71Å; L10-V18 HydrophobicContact CD1-CG2 3.92Å; L10-V18 HydrophobicContact CD2-CG2 4.26Å; A14-V18 WeakPolarHBondContact O-CB 3.27Å; A14-V18 VanDerWaalsContact O-CG2 3.27Å; A14-V18 WeakPolarHBondContact O-CG2 3.41Å; A14-V18 PolarHBondContact O-N 3.44Å; A14-V18 VanDerWaalsContact O-N 3.11Å; E16-V18 PolarHBondContact O-N 2.87Å; V18-C20 HydrophobicContact CG1-CB 4.35Å; V18-L44 HydrophobicContact CG1-CD2 4.17Å; V18-L44 HydrophobicContact CG2-CD1 4.27Å; V18-L44 HydrophobicContact CG2-CD2 4.35Å; V18-K46 PolarHBondContact O-NZ 2.8Å; V18-L47 HydrophobicContact CG2-CD1 4.47Å; V18-L47 HydrophobicContact CG2-CD2 3.83Å; V18-L47 HydrophobicContact CG2-CG 3.94Å
19G94.8Very high93.8Very high60 Ų6059.7 Ų59.762%0.61933%0.328SS*.THydrogen-bonded Turntrans90.97.6-174.100000113.9S15 E16S15-G19 CarbonylContact O-C 3.56Å; S15-G19 WeakPolarHBondContact O-CA 3.14Å; S15-G19 PolarHBondContact O-N 2.81Å; E16-G19 PolarHBondContact O-N 3.11Å
20C94.9Very high93.4Very high70 Ų7061.3 Ų61.347%0.47334%0.341SS..  trans-141.1151-176.5-63.20000110.4L10 S15 V18L10-C20 WeakPolarHBondContact CD1-O 3.27Å; S15-C20 WeakPolarHBondContact CA-O 3.47Å; S15-C20 WeakPolarHBondContact CB-O 3.27Å; S15-C20 PolarHBondContact O-N 2.74Å; V18-C20 HydrophobicContact CG1-CB 4.35Å
21K95.2Very high93.1Very high167 Ų16761.5 Ų61.573%0.72634%0.343SS*.SBendtrans-85.5-21177-63-176.1179.9-176.70113.7L10L10-K21 PolarHBondContact N-O 2.9Å
22E95.8Very high93Very high105 Ų10558.3 Ų58.349%0.49133%0.331SS..EExtended strand (participates in β ladder)trans-148.6149.9178.264.8-171.287.100110.3K7 V8 L9K7-E22 HydrophobicContact CD-CB 4.03Å; K7-E22 HydrophobicContact CD-CG 4.28Å; K7-E22 WeakPolarHBondContact CD-OE2 3.46Å; K7-E22 HydrophobicContact CG-CB 4.28Å; K7-E22 IonicContact NZ-OE2 3.07Å; K7-E22 PolarHBondContact NZ-OE2 3.4Å; V8-E22 CarbonylContact O-C 3.59Å; V8-E22 VanDerWaalsContact O-CA 3.3Å; V8-E22 WeakPolarHBondContact O-CA 3.03Å; L9-E22 HydrophobicContact CD2-CB 3.76Å
23I95.4Very high92.7Very high57 Ų5757 Ų5729%0.29232%0.315SS..EExtended strand (participates in β ladder)trans-147.9147.7175.1-168.8170.2000110.4V8 L10 I25 L44V8-I23 HydrophobicContact CB-CG2 4.27Å; V8-I23 PolarHBondContact N-O 3.21Å; V8-I23 PolarHBondContact O-N 2.87Å; L10-I23 HydrophobicContact CD1-CG2 4.02Å; I23-I25 HydrophobicContact CG2-CD1 4.16Å; I23-I25 HydrophobicContact CG2-CG1 4.14Å; I23-L44 HydrophobicContact CD1-CD2 3.59Å; I23-L44 HydrophobicContact CG2-CD1 3.93Å; I23-L44 HydrophobicContact CG2-CD2 4.21Å
24T94.8Very high92.5Very high90 Ų9059.2 Ų59.255%0.55232%0.323SS*.EExtended strand (participates in β ladder)trans-94.9123.3174.7-59.40000109.8N5 K6N5-T24 HydrophobicContact CB-CG2 3.69Å; K6-T24 WeakPolarHBondContact O-CA 3.12Å
25I94.3Very high92.3Very high7 Ų762.1 Ų62.14%0.03634%0.341CS..EExtended strand (participates in β ladder)trans-117.1146.5179.3-62.8178.4000109.5K6 V8 I23 F27 I39 I40 Q43 L44K6-I25 PolarHBondContact N-O 3.09Å; K6-I25 PolarHBondContact O-N 2.81Å; V8-I25 HydrophobicContact CB-CD1 4.42Å; V8-I25 HydrophobicContact CG2-CB 4.15Å; V8-I25 HydrophobicContact CG2-CD1 3.9Å; V8-I25 HydrophobicContact CG2-CG1 4.11Å; I23-I25 HydrophobicContact CG2-CD1 4.16Å; I23-I25 HydrophobicContact CG2-CG1 4.14Å; I25-F27 HydrophobicContact CB-CD2 4.39Å; I25-F27 HydrophobicContact CB-CE2 3.6Å; I25-F27 HydrophobicContact CB-CZ 3.87Å; I25-F27 HydrophobicContact CG2-CD2 4.25Å; I25-F27 HydrophobicContact CG2-CE1 4.18Å; I25-F27 HydrophobicContact CG2-CE2 3.68Å; I25-F27 HydrophobicContact CG2-CZ 3.65Å; I25-F27 WeakPolarHBondContact O-CD2 3.42Å; I25-I39 HydrophobicContact CG2-CG2 4.01Å; I25-I40 HydrophobicContact CD1-CB 4.37Å; I25-I40 HydrophobicContact CD1-CG1 4.15Å; I25-I40 HydrophobicContact CD1-CG2 4.12Å; I25-Q43 HydrophobicContact CD1-CB 4.32Å; I25-Q43 HydrophobicContact CG2-CB 4.18Å; I25-Q43 HydrophobicContact CG2-CG 3.92Å; I25-L44 HydrophobicContact CD1-CD1 3.89Å; I25-L44 HydrophobicContact CD1-CG 3.95Å
26Q92.6Very high92.1Very high91 Ų9161 Ų6143%0.42533%0.333SS..EExtended strand (participates in β ladder)trans-88.8127.9175.3-73-177-32.300110.9I3 C4 N5I3-Q26 HydrophobicContact CD1-CB 4.42Å; I3-Q26 HydrophobicContact CD1-CG 4.27Å; C4-Q26 WeakPolarHBondContact O-CA 3.25Å; N5-Q26 WeakPolarHBondContact OD1-CG 3.3Å; N5-Q26 PolarHBondContact OD1-NE2 3.03Å
27F93.3Very high91.9Very high1 Ų154.9 Ų54.90%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-123.7152.7177.7-63.4-86.3000110.4I3 C4 K6 V8 I25 L36 I39 I40 I74 L80I3-F27 CarbonylContact C-O 3.57Å; I3-F27 VanDerWaalsContact CA-O 3.24Å; I3-F27 WeakPolarHBondContact CA-O 3.04Å; C4-F27 PolarHBondContact N-O 3.25Å; C4-F27 PolarHBondContact O-N 2.91Å; K6-F27 HydrophobicContact CB-CD2 3.64Å; K6-F27 HydrophobicContact CB-CE2 3.77Å; V8-F27 HydrophobicContact CG2-CE2 4.06Å; V8-F27 HydrophobicContact CG2-CZ 4.07Å; I25-F27 HydrophobicContact CB-CD2 4.39Å; I25-F27 HydrophobicContact CB-CE2 3.6Å; I25-F27 HydrophobicContact CB-CZ 3.87Å; I25-F27 HydrophobicContact CG2-CD2 4.25Å; I25-F27 HydrophobicContact CG2-CE1 4.18Å; I25-F27 HydrophobicContact CG2-CE2 3.68Å; I25-F27 HydrophobicContact CG2-CZ 3.65Å; I25-F27 WeakPolarHBondContact O-CD2 3.42Å; F27-L36 HydrophobicContact CD1-CG 4.48Å; F27-L36 HydrophobicContact CE1-CG 4.05Å; F27-I39 HydrophobicContact CD1-CB 4.2Å; F27-I39 HydrophobicContact CD1-CD1 4.1Å; F27-I39 HydrophobicContact CD1-CG2 3.77Å; F27-I39 HydrophobicContact CE1-CB 4.09Å; F27-I39 HydrophobicContact CE1-CG2 3.75Å; F27-I40 HydrophobicContact CE1-CD1 4.26Å; F27-I40 HydrophobicContact CE1-CG1 3.78Å; F27-I40 HydrophobicContact CZ-CD1 4.01Å; F27-I40 HydrophobicContact CZ-CG1 3.59Å; F27-I74 HydrophobicContact CB-CB 4.43Å; F27-I74 HydrophobicContact CB-CG1 4.04Å; F27-I74 HydrophobicContact CB-CG2 3.9Å; F27-I74 HydrophobicContact CD2-CG2 4.37Å; F27-I74 HydrophobicContact CG-CG2 4.29Å; F27-L80 HydrophobicContact CE1-CD2 4.48Å; F27-L80 HydrophobicContact CE2-CD2 4.12Å; F27-L80 HydrophobicContact CZ-CD2 3.72Å
28P92.7Very high91.8Very high47 Ų4756 Ų5631%0.30531%0.311SS..EExtended strand (participates in β ladder)trans-60.5156.8163.930.4-36.7000110.1S30 C31 I39 I74P28-S30 PolarHBondContact O-N 2.88Å; P28-S30 VanDerWaalsContact O-N 3.09Å; P28-C31 HydrophobicContact CG-CB 3.77Å; P28-I39 HydrophobicContact CG-CD1 4.16Å; P28-I74 WeakPolarHBondContact O-CG1 3.46Å
29L90Very high91.8Very high49 Ų4956.5 Ų56.526%0.25731%0.313SS..SBendtrans-56.3-28.2177.5-66-175.2000113.5T2 C4 I74 E75T2-L29 HydrophobicContact CG2-CD1 3.76Å; T2-L29 HydrophobicContact CG2-CD2 3.83Å; T2-L29 HydrophobicContact CG2-CG 3.91Å; T2-L29 PolarHBondContact O-N 2.92Å; C4-L29 HydrophobicContact CB-CD2 4.17Å; L29-I74 PolarHBondContact O-N 2.68Å; L29-E75 HydrophobicContact CD2-CG 3.98Å
30S89Confident91.7Very high59 Ų5953.7 Ų53.741%0.41328%0.283SS..EExtended strand (participates in β ladder)trans-144.3136.7175.3-44.30000111.1P28 I72P28-S30 PolarHBondContact O-N 2.88Å; P28-S30 VanDerWaalsContact O-N 3.09Å; S30-I72 WeakPolarHBondContact CA-O 3.38Å
31C89.6Confident91.6Very high8 Ų851.1 Ų51.15%0.05427%0.265CS..EExtended strand (participates in β ladder)trans-153.8173.7170.865.50000111.4P28 T35 I72P28-C31 HydrophobicContact CG-CB 3.77Å; C31-T35 HydrophobicContact CB-CG2 3.82Å; C31-I72 PolarHBondContact N-O 3.32Å; C31-I72 VanDerWaalsContact N-O 3.15Å; C31-I72 PolarHBondContact O-N 2.86Å
32T89.9Confident91.5Very high29 Ų2949.9 Ų49.918%0.17826%0.261CS..EExtended strand (participates in β ladder)trans-83.7161.8175.5690000110.6K34 T35 L36T32-K34 PolarHBondContact O-N 3.15Å; T32-T35 PolarHBondContact O-N 2.85Å; T32-T35 VanDerWaalsContact O-N 3.13Å; T32-T35 PolarHBondContact OG1-N 2.78Å; T32-T35 VanDerWaalsContact OG1-N 3.14Å; T32-T35 PolarHBondContact OG1-OG1 2.6Å; T32-L36 WeakPolarHBondContact O-CB 3.39Å; T32-L36 PolarHBondContact O-N 2.93Å
33N85.6Confident91.3Very high12 Ų1250.5 Ų50.56%0.06426%0.264CS..Hα-helixtrans-53.8-39.6173.3-82.3-41.4000112.7L36 K37 T63 S68 I72N33-L36 PolarHBondContact O-N 2.77Å; N33-K37 PolarHBondContact O-N 3.03Å; N33-K37 VanDerWaalsContact O-N 3.08Å; N33-T63 WeakPolarHBondContact OD1-CB 3.38Å; N33-T63 VanDerWaalsContact OD1-CG2 3.26Å; N33-T63 WeakPolarHBondContact OD1-CG2 3.35Å; N33-S68 WeakPolarHBondContact ND2-CB 3.35Å; N33-S68 PolarHBondContact ND2-OG 2.92Å; N33-S68 VanDerWaalsContact ND2-OG 3.11Å; N33-I72 HydrophobicContact CB-CD1 4.27Å; N33-I72 WeakPolarHBondContact ND2-CD1 3.24Å; N33-I72 WeakPolarHBondContact OD1-CD1 3.26Å
34K87.3Confident91.1Very high141 Ų14148.4 Ų48.461%0.61325%0.253SS*.Hα-helixtrans-63-51.5176.8-177.5177.2178.8177.40111T32 L36 K37 D38T32-K34 PolarHBondContact O-N 3.15Å; K34-L36 VanDerWaalsContact C-N 3.28Å; K34-L36 PolarHBondContact O-N 2.92Å; K34-K37 PolarHBondContact O-N 3.18Å; K34-D38 PolarHBondContact O-N 3.35Å
35T89.3Confident91Very high61 Ų6148.4 Ų48.437%0.37425%0.253SS..Hα-helixtrans-60.7-38.8178.1-51.90000111.8C31 T32 D38 I39C31-T35 HydrophobicContact CB-CG2 3.82Å; T32-T35 PolarHBondContact O-N 2.85Å; T32-T35 VanDerWaalsContact O-N 3.13Å; T32-T35 PolarHBondContact OG1-N 2.78Å; T32-T35 VanDerWaalsContact OG1-N 3.14Å; T32-T35 PolarHBondContact OG1-OG1 2.6Å; T35-D38 WeakPolarHBondContact O-CB 3.5Å; T35-D38 PolarHBondContact O-N 3.2Å; T35-I39 HydrophobicContact CG2-CD1 3.89Å; T35-I39 HydrophobicContact CG2-CG1 4.37Å; T35-I39 VanDerWaalsContact O-CG1 3.25Å; T35-I39 WeakPolarHBondContact O-CG1 3.37Å; T35-I39 PolarHBondContact O-N 3.37Å
36L89.8Confident91Very high1 Ų153.8 Ų53.81%0.00528%0.277CS..Hα-helixtrans-59.7-48.2176.9-179.4154.6000110.8F27 T32 N33 K34 D38 I39 I40 V56 V58 I74 I77 L80F27-L36 HydrophobicContact CD1-CG 4.48Å; F27-L36 HydrophobicContact CE1-CG 4.05Å; T32-L36 WeakPolarHBondContact O-CB 3.39Å; T32-L36 PolarHBondContact O-N 2.93Å; N33-L36 PolarHBondContact O-N 2.77Å; K34-L36 VanDerWaalsContact C-N 3.28Å; K34-L36 PolarHBondContact O-N 2.92Å; L36-D38 VanDerWaalsContact C-N 3.34Å; L36-I39 PolarHBondContact O-N 2.81Å; L36-I40 HydrophobicContact CD2-CD1 3.58Å; L36-I40 HydrophobicContact CG-CD1 4.42Å; L36-I40 VanDerWaalsContact O-CG1 3.29Å; L36-I40 WeakPolarHBondContact O-CG1 3.36Å; L36-I40 PolarHBondContact O-N 3.45Å; L36-I40 VanDerWaalsContact O-N 3.15Å; L36-V56 HydrophobicContact CD2-CG1 3.66Å; L36-V58 HydrophobicContact CD1-CG2 4.39Å; L36-I74 HydrophobicContact CD1-CD1 3.8Å; L36-I77 HydrophobicContact CD1-CD1 3.81Å; L36-L80 HydrophobicContact CD1-CD1 4Å; L36-L80 HydrophobicContact CD1-CD2 4.39Å; L36-L80 HydrophobicContact CD2-CD1 3.9Å; L36-L80 HydrophobicContact CD2-CD2 4.07Å; L36-L80 HydrophobicContact CG-CD2 4.41Å
37K89.9Confident91Very high19 Ų1949.5 Ų49.58%0.08326%0.256CS..Hα-helixtrans-62.2-43.9176.5-177.3174.1174.4176.10111.2N33 K34 I39 I40 I41 K51 L54 V56 I65N33-K37 PolarHBondContact O-N 3.03Å; N33-K37 VanDerWaalsContact O-N 3.08Å; K34-K37 PolarHBondContact O-N 3.18Å; K37-I39 PolarHBondContact O-N 2.79Å; K37-I40 PolarHBondContact O-N 2.91Å; K37-I41 HydrophobicContact CG-CG1 4.44Å; K37-I41 WeakPolarHBondContact O-CG1 3.39Å; K37-I41 PolarHBondContact O-N 2.92Å; K37-K51 WeakPolarHBondContact CE-O 3.26Å; K37-K51 PolarHBondContact NZ-O 3.13Å; K37-L54 PolarHBondContact NZ-O 3.33Å; K37-V56 HydrophobicContact CB-CG2 3.94Å; K37-V56 HydrophobicContact CD-CG2 4.14Å; K37-V56 HydrophobicContact CG-CG2 3.93Å; K37-I65 HydrophobicContact CD-CD1 4.26Å; K37-I65 HydrophobicContact CD-CG2 3.96Å
38D90.8Very high90.9Very high89 Ų8954.1 Ų54.148%0.47628%0.278SS..Hα-helixtrans-56-51.9178.1-133.3-111.6000111.1K34 T35 L36 I40 I41 E42K34-D38 PolarHBondContact O-N 3.35Å; T35-D38 WeakPolarHBondContact O-CB 3.5Å; T35-D38 PolarHBondContact O-N 3.2Å; L36-D38 VanDerWaalsContact C-N 3.34Å; D38-I40 VanDerWaalsContact C-N 3.26Å; D38-I40 PolarHBondContact O-N 3.46Å; D38-I41 PolarHBondContact O-N 2.83Å; D38-E42 WeakPolarHBondContact O-CG 3.18Å; D38-E42 PolarHBondContact O-N 3.13Å
39I92.9Very high90.8Very high24 Ų2456.8 Ų56.812%0.12330%0.296CS..Hα-helixtrans-56.5-41177.7-68.9165.1000111.4I25 F27 P28 T35 L36 K37 Q43I25-I39 HydrophobicContact CG2-CG2 4.01Å; F27-I39 HydrophobicContact CD1-CB 4.2Å; F27-I39 HydrophobicContact CD1-CD1 4.1Å; F27-I39 HydrophobicContact CD1-CG2 3.77Å; F27-I39 HydrophobicContact CE1-CB 4.09Å; F27-I39 HydrophobicContact CE1-CG2 3.75Å; P28-I39 HydrophobicContact CG-CD1 4.16Å; T35-I39 HydrophobicContact CG2-CD1 3.89Å; T35-I39 HydrophobicContact CG2-CG1 4.37Å; T35-I39 VanDerWaalsContact O-CG1 3.25Å; T35-I39 WeakPolarHBondContact O-CG1 3.37Å; T35-I39 PolarHBondContact O-N 3.37Å; L36-I39 PolarHBondContact O-N 2.81Å; K37-I39 PolarHBondContact O-N 2.79Å; I39-Q43 HydrophobicContact CG2-CG 4.27Å; I39-Q43 VanDerWaalsContact O-CB 3.31Å; I39-Q43 WeakPolarHBondContact O-CB 2.96Å; I39-Q43 WeakPolarHBondContact O-CG 3.2Å; I39-Q43 PolarHBondContact O-N 2.99Å
40I92.9Very high90.7Very high1 Ų155.2 Ų55.21%0.00529%0.287CS..Hα-helixtrans-64.6-45.3178.8-66.7168000110.6V8 I25 F27 L36 K37 D38 Q43 L44 L47 L80 I82V8-I40 HydrophobicContact CG1-CD1 4.34Å; I25-I40 HydrophobicContact CD1-CB 4.37Å; I25-I40 HydrophobicContact CD1-CG1 4.15Å; I25-I40 HydrophobicContact CD1-CG2 4.12Å; F27-I40 HydrophobicContact CE1-CD1 4.26Å; F27-I40 HydrophobicContact CE1-CG1 3.78Å; F27-I40 HydrophobicContact CZ-CD1 4.01Å; F27-I40 HydrophobicContact CZ-CG1 3.59Å; L36-I40 HydrophobicContact CD2-CD1 3.58Å; L36-I40 HydrophobicContact CG-CD1 4.42Å; L36-I40 VanDerWaalsContact O-CG1 3.29Å; L36-I40 WeakPolarHBondContact O-CG1 3.36Å; L36-I40 PolarHBondContact O-N 3.45Å; L36-I40 VanDerWaalsContact O-N 3.15Å; K37-I40 PolarHBondContact O-N 2.91Å; D38-I40 VanDerWaalsContact C-N 3.26Å; D38-I40 PolarHBondContact O-N 3.46Å; I40-Q43 PolarHBondContact O-N 2.84Å; I40-L44 HydrophobicContact CG2-CD1 4Å; I40-L44 WeakPolarHBondContact O-CA 3.48Å; I40-L44 WeakPolarHBondContact O-CB 3.27Å; I40-L44 PolarHBondContact O-N 2.99Å; I40-L47 HydrophobicContact CG2-CD1 4.19Å; I40-L80 HydrophobicContact CD1-CD2 3.63Å; I40-L80 HydrophobicContact CD1-CG 4.4Å; I40-I82 HydrophobicContact CD1-CD1 3.86Å; I40-I82 HydrophobicContact CG2-CD1 3.91Å; I40-I82 HydrophobicContact CG2-CG1 4.18Å
41I91.9Very high90.7Very high16 Ų1657 Ų578%0.08229%0.288CS..Hα-helixtrans-67.8-40.6179.4-61.8-60.1000111.2K37 D38 Q43 L44 V45 L47 E48 K51 L54K37-I41 HydrophobicContact CG-CG1 4.44Å; K37-I41 WeakPolarHBondContact O-CG1 3.39Å; K37-I41 PolarHBondContact O-N 2.92Å; D38-I41 PolarHBondContact O-N 2.83Å; I41-Q43 VanDerWaalsContact C-N 3.34Å; I41-Q43 PolarHBondContact O-N 2.91Å; I41-L44 CarbonylContact O-C 3.5Å; I41-L44 PolarHBondContact O-N 3.32Å; I41-V45 WeakPolarHBondContact O-CA 3.25Å; I41-V45 PolarHBondContact O-N 3.29Å; I41-L47 HydrophobicContact CD1-CB 3.6Å; I41-L47 HydrophobicContact CD1-CD1 4.42Å; I41-E48 HydrophobicContact CG2-CG 3.88Å; I41-K51 HydrophobicContact CD1-CB 4.07Å; I41-K51 HydrophobicContact CG1-CB 4.14Å; I41-K51 HydrophobicContact CG2-CB 4.16Å; I41-L54 HydrophobicContact CD1-CD2 3.97Å
42E92.6Very high90.5Very high141 Ų14163.2 Ų63.266%0.65932%0.32SS*.Hα-helixtrans-61.2-42.1176.2-72.9-171.59900111.8D38D38-E42 WeakPolarHBondContact O-CG 3.18Å; D38-E42 PolarHBondContact O-N 3.13Å
43Q92.3Very high90.4Very high117 Ų11765.2 Ų65.255%0.54734%0.335SS..Hα-helixtrans-78.2-30.8179.3-66.4-78.725.900112.6I25 I39 I40 I41I25-Q43 HydrophobicContact CD1-CB 4.32Å; I25-Q43 HydrophobicContact CG2-CB 4.18Å; I25-Q43 HydrophobicContact CG2-CG 3.92Å; I39-Q43 HydrophobicContact CG2-CG 4.27Å; I39-Q43 VanDerWaalsContact O-CB 3.31Å; I39-Q43 WeakPolarHBondContact O-CB 2.96Å; I39-Q43 WeakPolarHBondContact O-CG 3.2Å; I39-Q43 PolarHBondContact O-N 2.99Å; I40-Q43 PolarHBondContact O-N 2.84Å; I41-Q43 VanDerWaalsContact C-N 3.34Å; I41-Q43 PolarHBondContact O-N 2.91Å
44L92.3Very high90.5Very high13 Ų1364.9 Ų64.97%0.06833%0.333CS..  trans-112.968.2177-61.2177.9000109.9L10 V18 I23 I25 I40 I41 K46 L47L10-L44 HydrophobicContact CD1-CD1 4.46Å; L10-L44 HydrophobicContact CD2-CD1 3.97Å; V18-L44 HydrophobicContact CG1-CD2 4.17Å; V18-L44 HydrophobicContact CG2-CD1 4.27Å; V18-L44 HydrophobicContact CG2-CD2 4.35Å; I23-L44 HydrophobicContact CD1-CD2 3.59Å; I23-L44 HydrophobicContact CG2-CD1 3.93Å; I23-L44 HydrophobicContact CG2-CD2 4.21Å; I25-L44 HydrophobicContact CD1-CD1 3.89Å; I25-L44 HydrophobicContact CD1-CG 3.95Å; I40-L44 HydrophobicContact CG2-CD1 4Å; I40-L44 WeakPolarHBondContact O-CA 3.48Å; I40-L44 WeakPolarHBondContact O-CB 3.27Å; I40-L44 PolarHBondContact O-N 2.99Å; I41-L44 CarbonylContact O-C 3.5Å; I41-L44 PolarHBondContact O-N 3.32Å; L44-K46 PolarHBondContact O-N 2.87Å; L44-L47 HydrophobicContact CB-CB 4.45Å; L44-L47 HydrophobicContact CB-CD1 3.84Å; L44-L47 HydrophobicContact CB-CG 3.95Å; L44-L47 HydrophobicContact CD1-CD1 3.59Å; L44-L47 HydrophobicContact CD1-CG 4.37Å; L44-L47 HydrophobicContact CG-CD1 4.39Å; L44-L47 WeakPolarHBondContact O-CB 3.35Å; L44-L47 PolarHBondContact O-N 2.79Å
45V92.5Very high90.6Very high91 Ų9160.7 Ų60.755%0.55232%0.32SS*.G310 helixtrans-50.8-26.9178.871.10000113.3I41 L47 E48I41-V45 WeakPolarHBondContact O-CA 3.25Å; I41-V45 PolarHBondContact O-N 3.29Å; V45-L47 PolarHBondContact O-N 3.15Å; V45-E48 HydrophobicContact CG2-CG 4.1Å; V45-E48 WeakPolarHBondContact CG2-OE2 3.13Å; V45-E48 VanDerWaalsContact O-CB 3.25Å; V45-E48 WeakPolarHBondContact O-CB 3.5Å; V45-E48 VanDerWaalsContact O-CG 3.27Å; V45-E48 WeakPolarHBondContact O-CG 3.15Å; V45-E48 PolarHBondContact O-N 3.42Å
46K93.3Very high90.7Very high120 Ų12057.8 Ų57.852%0.52230%0.302SS..G310 helixtrans-63.7-19.1175.3-56.7-168.1-167.4172.30114L17 V18 L44 P49L17-K46 WeakPolarHBondContact O-CD 3.42Å; V18-K46 PolarHBondContact O-NZ 2.8Å; L44-K46 PolarHBondContact O-N 2.87Å; K46-P49 WeakPolarHBondContact O-CD 3.31Å
47L92.5Very high90.7Very high0 Ų058 Ų580%030%0.304CS..G310 helixtrans-87.3-5.7174.6-63.2-178000113.2L10 A14 V18 I40 I41 L44 V45 P49 L50 K51 L54 I82L10-L47 HydrophobicContact CD2-CD1 3.96Å; A14-L47 HydrophobicContact CB-CD2 3.56Å; V18-L47 HydrophobicContact CG2-CD1 4.47Å; V18-L47 HydrophobicContact CG2-CD2 3.83Å; V18-L47 HydrophobicContact CG2-CG 3.94Å; I40-L47 HydrophobicContact CG2-CD1 4.19Å; I41-L47 HydrophobicContact CD1-CB 3.6Å; I41-L47 HydrophobicContact CD1-CD1 4.42Å; L44-L47 HydrophobicContact CB-CB 4.45Å; L44-L47 HydrophobicContact CB-CD1 3.84Å; L44-L47 HydrophobicContact CB-CG 3.95Å; L44-L47 HydrophobicContact CD1-CD1 3.59Å; L44-L47 HydrophobicContact CD1-CG 4.37Å; L44-L47 HydrophobicContact CG-CD1 4.39Å; L44-L47 WeakPolarHBondContact O-CB 3.35Å; L44-L47 PolarHBondContact O-N 2.79Å; V45-L47 PolarHBondContact O-N 3.15Å; L47-P49 VanDerWaalsContact C-N 3.29Å; L47-L50 CarbonylContact O-C 3.57Å; L47-L50 PolarHBondContact O-N 2.81Å; L47-K51 PolarHBondContact O-N 2.87Å; L47-K51 VanDerWaalsContact O-N 3.15Å; L47-L54 HydrophobicContact CD1-CD2 4.38Å; L47-I82 HydrophobicContact CD1-CG2 4.26Å
48E91.7Very high90.8Very high98 Ų9858 Ų5846%0.45831%0.306SS..G310 helixtrans-49.6-41.6177.2-78.8-159.696.400114.2I41 V45 L50 K51I41-E48 HydrophobicContact CG2-CG 3.88Å; V45-E48 HydrophobicContact CG2-CG 4.1Å; V45-E48 WeakPolarHBondContact CG2-OE2 3.13Å; V45-E48 VanDerWaalsContact O-CB 3.25Å; V45-E48 WeakPolarHBondContact O-CB 3.5Å; V45-E48 VanDerWaalsContact O-CG 3.27Å; V45-E48 WeakPolarHBondContact O-CG 3.15Å; V45-E48 PolarHBondContact O-N 3.42Å; E48-L50 PolarHBondContact O-N 3.13Å; E48-L50 VanDerWaalsContact O-N 3.17Å; E48-K51 WeakPolarHBondContact O-CB 3.24Å; E48-K51 VanDerWaalsContact O-CG 3.26Å; E48-K51 WeakPolarHBondContact O-CG 3.39Å; E48-K51 PolarHBondContact O-N 2.76Å; E48-K51 VanDerWaalsContact O-N 3.13Å
49P90.1Very high90.8Very high104 Ų10456.6 Ų56.668%0.67530%0.298SS*.G310 helixtrans-60.6-26.3177.6-23.835.2000113.7K46 L47K46-P49 WeakPolarHBondContact O-CD 3.31Å; L47-P49 VanDerWaalsContact C-N 3.29Å
50L88.7Confident90.6Very high16 Ų1665.8 Ų65.88%0.08433%0.331CS..G310 helixtrans-98.8-4.1-179.6-57.2-174.6000113.2E13 L17 L47 E48 D52 S53 L54 P84E13-L50 HydrophobicContact CB-CD1 4.15Å; E13-L50 HydrophobicContact CG-CD1 4.01Å; E13-L50 WeakPolarHBondContact OE1-CD1 3.43Å; E13-L50 WeakPolarHBondContact OE1-CD2 3.24Å; L17-L50 HydrophobicContact CD1-CD1 3.5Å; L17-L50 VanDerWaalsContact CD1-CD1 3.5Å; L17-L50 HydrophobicContact CD1-CG 3.72Å; L47-L50 CarbonylContact O-C 3.57Å; L47-L50 PolarHBondContact O-N 2.81Å; E48-L50 PolarHBondContact O-N 3.13Å; E48-L50 VanDerWaalsContact O-N 3.17Å; L50-D52 PolarHBondContact O-N 2.88Å; L50-S53 CarbonylContact O-C 3.53Å; L50-S53 PolarHBondContact O-N 2.96Å; L50-L54 HydrophobicContact CB-CB 4.39Å; L50-L54 HydrophobicContact CB-CD1 4.04Å; L50-L54 HydrophobicContact CD1-CD1 4.23Å; L50-L54 VanDerWaalsContact O-CB 3.24Å; L50-L54 WeakPolarHBondContact O-CB 3.4Å; L50-L54 PolarHBondContact O-N 3.17Å; L50-P84 HydrophobicContact CD1-CB 4.36Å
51K88.5Confident90.4Very high97 Ų9773.4 Ų73.442%0.42236%0.364SS..THydrogen-bonded Turntrans-50.9-35.7-169.975.7-173.6-179179.50113.4K37 I41 L47 E48K37-K51 WeakPolarHBondContact CE-O 3.26Å; K37-K51 PolarHBondContact NZ-O 3.13Å; I41-K51 HydrophobicContact CD1-CB 4.07Å; I41-K51 HydrophobicContact CG1-CB 4.14Å; I41-K51 HydrophobicContact CG2-CB 4.16Å; L47-K51 PolarHBondContact O-N 2.87Å; L47-K51 VanDerWaalsContact O-N 3.15Å; E48-K51 WeakPolarHBondContact O-CB 3.24Å; E48-K51 VanDerWaalsContact O-CG 3.26Å; E48-K51 WeakPolarHBondContact O-CG 3.39Å; E48-K51 PolarHBondContact O-N 2.76Å; E48-K51 VanDerWaalsContact O-N 3.13Å
52D85.9Confident90.2Very high138 Ų13880.9 Ų80.974%0.73839%0.393SS*.THydrogen-bonded Turntrans-80.2-28.3-179.9-74.5-82.9000113.4L50L50-D52 PolarHBondContact O-N 2.88Å
53S87Confident89.7Confident70 Ų7075 Ų7549%0.4937%0.367SS..THydrogen-bonded Turntrans-101-14.2-177.3-59.40000114L50L50-S53 CarbonylContact O-C 3.53Å; L50-S53 PolarHBondContact O-N 2.96Å
54L88.3Confident88.7Confident5 Ų573.7 Ų73.73%0.02636%0.363CS..  trans-72.4133.8-177.3-159.283.4000111.1A14 K37 I41 L47 L50 I82A14-L54 HydrophobicContact CB-CD1 4.11Å; K37-L54 PolarHBondContact NZ-O 3.33Å; I41-L54 HydrophobicContact CD1-CD2 3.97Å; L47-L54 HydrophobicContact CD1-CD2 4.38Å; L50-L54 HydrophobicContact CB-CB 4.39Å; L50-L54 HydrophobicContact CB-CD1 4.04Å; L50-L54 HydrophobicContact CD1-CD1 4.23Å; L50-L54 VanDerWaalsContact O-CB 3.24Å; L50-L54 WeakPolarHBondContact O-CB 3.4Å; L50-L54 PolarHBondContact O-N 3.17Å; L54-I82 HydrophobicContact CD1-CG2 3.44Å; L54-I82 VanDerWaalsContact CD1-CG2 3.44Å; L54-I82 HydrophobicContact CD2-CD1 3.92Å; L54-I82 HydrophobicContact CD2-CG2 3.45Å; L54-I82 VanDerWaalsContact CD2-CG2 3.45Å; L54-I82 HydrophobicContact CG-CG2 3.6Å
55T89.4Confident87.5Confident53 Ų5375.6 Ų75.633%0.32537%0.373SS..EExtended strand (participates in β ladder)trans-104.6138.9171.9-550000109.6Y62 L83T55-Y62 HydrophobicContact CG2-CD1 3.63Å; T55-Y62 HydrophobicContact CG2-CE1 4.46Å; T55-Y62 HydrophobicContact CG2-CG 4.31Å; T55-L83 PolarHBondContact N-O 3.26Å; T55-L83 PolarHBondContact O-N 3.39Å
56V90.6Very high86.2Confident0 Ų078.2 Ų78.20%038%0.384CS..EExtended strand (participates in β ladder)trans-100.3136.8171.8-173.70000108.4L36 K37 T63 L80 A81 I82L36-V56 HydrophobicContact CD2-CG1 3.66Å; K37-V56 HydrophobicContact CB-CG2 3.94Å; K37-V56 HydrophobicContact CD-CG2 4.14Å; K37-V56 HydrophobicContact CG-CG2 3.93Å; V56-T63 PolarHBondContact O-N 3.12Å; V56-T63 PolarHBondContact O-OG1 3.5Å; V56-T63 VanDerWaalsContact O-OG1 3.13Å; V56-L80 HydrophobicContact CG1-CD1 3.77Å; V56-L80 HydrophobicContact CG1-CG 4.39Å; V56-A81 WeakPolarHBondContact CA-O 3.4Å; V56-I82 HydrophobicContact CB-CD1 4.45Å; V56-I82 HydrophobicContact CG1-CD1 4.31Å; V56-I82 HydrophobicContact CG2-CD1 3.8Å
57A91.5Very high84.6Confident7 Ų777.1 Ų77.16%0.05839%0.388CS..EExtended strand (participates in β ladder)trans-113.7130.1169.700000110K61 Y62 A81 L83A57-K61 CarbonylContact C-O 3.54Å; A57-K61 VanDerWaalsContact CA-O 3.24Å; A57-K61 WeakPolarHBondContact CA-O 3.29Å; A57-Y62 HydrophobicContact CB-CD1 4.45Å; A57-A81 HydrophobicContact CB-CB 4.34Å; A57-A81 PolarHBondContact N-O 3.22Å; A57-A81 PolarHBondContact O-N 2.91Å; A57-L83 HydrophobicContact CB-CD1 3.86Å
58V91.3Very high83.1Confident19 Ų1978.7 Ų78.712%0.11540%0.399CS..EExtended strand (participates in β ladder)trans-114.2121.8175.91730000107.1L36 W60 K61 T63 I77 L80L36-V58 HydrophobicContact CD1-CG2 4.39Å; V58-W60 VanDerWaalsContact C-N 3.3Å; V58-W60 PolarHBondContact O-N 3.15Å; V58-K61 PolarHBondContact N-O 3.49Å; V58-K61 PolarHBondContact O-N 3.01Å; V58-T63 HydrophobicContact CB-CG2 3.79Å; V58-T63 HydrophobicContact CG2-CG2 3.45Å; V58-T63 VanDerWaalsContact CG2-CG2 3.45Å; V58-I77 HydrophobicContact CG1-CB 4.45Å; V58-I77 HydrophobicContact CG1-CD1 3.9Å; V58-I77 HydrophobicContact CG1-CG1 3.78Å; V58-I77 HydrophobicContact CG1-CG2 4.04Å; V58-I77 HydrophobicContact CG2-CD1 4.33Å; V58-L80 HydrophobicContact CB-CD1 4.47Å; V58-L80 HydrophobicContact CG2-CD1 3.51Å
59N91.5Very high81.9Confident59 Ų5981.4 Ų81.432%0.31642%0.415SS..THydrogen-bonded Turntrans48.152.4-178.9-63.9-18.4000111.9K61 E76 E78 E79N59-K61 PolarHBondContact O-N 3.05Å; N59-K61 VanDerWaalsContact O-N 3.13Å; N59-E76 PolarHBondContact ND2-O 3.3Å; N59-E78 PolarHBondContact OD1-N 3.24Å; N59-E79 PolarHBondContact N-O 3.14Å; N59-E79 PolarHBondContact OD1-N 3.08Å; N59-E79 VanDerWaalsContact OD1-N 3.15Å
60W88.2Confident81.4Confident216 Ų21682.4 Ų82.482%0.81842%0.415SS*.THydrogen-bonded Turntrans63.910.5-180-59.579.4000116.1V58 E79V58-W60 VanDerWaalsContact C-N 3.3Å; V58-W60 PolarHBondContact O-N 3.15Å; W60-E79 VanDerWaalsContact CZ2-OE1 3.25Å; W60-E79 WeakPolarHBondContact CZ2-OE1 3.38Å; W60-E79 PolarHBondContact NE1-OE1 3.47Å
61K88.8Confident81.1Confident161 Ų16189.2 Ų89.270%0.745%0.447SS*.EExtended strand (participates in β ladder)trans-114129.1177-64.3-179.4-178.9178.70110.5A57 V58 N59 T63A57-K61 CarbonylContact C-O 3.54Å; A57-K61 VanDerWaalsContact CA-O 3.24Å; A57-K61 WeakPolarHBondContact CA-O 3.29Å; V58-K61 PolarHBondContact N-O 3.49Å; V58-K61 PolarHBondContact O-N 3.01Å; N59-K61 PolarHBondContact O-N 3.05Å; N59-K61 VanDerWaalsContact O-N 3.13Å; K61-T63 PolarHBondContact O-N 3.17Å
62Y86.6Confident81Confident174 Ų17486.4 Ų86.468%0.68244%0.435SS*.EExtended strand (participates in β ladder)trans-60.8132.2171.9-58.6-67.8000110T55 A57 L83T55-Y62 HydrophobicContact CG2-CD1 3.63Å; T55-Y62 HydrophobicContact CG2-CE1 4.46Å; T55-Y62 HydrophobicContact CG2-CG 4.31Å; A57-Y62 HydrophobicContact CB-CD1 4.45Å; Y62-L83 HydrophobicContact CD1-CD1 3.99Å; Y62-L83 HydrophobicContact CE1-CD1 3.35Å
63T82.5Confident81.2Confident17 Ų1782 Ų8210%0.10442%0.416CS..  trans-92.7130.3177.266.30000109.7N33 V56 V58 K61 I65N33-T63 WeakPolarHBondContact OD1-CB 3.38Å; N33-T63 VanDerWaalsContact OD1-CG2 3.26Å; N33-T63 WeakPolarHBondContact OD1-CG2 3.35Å; V56-T63 PolarHBondContact O-N 3.12Å; V56-T63 PolarHBondContact O-OG1 3.5Å; V56-T63 VanDerWaalsContact O-OG1 3.13Å; V58-T63 HydrophobicContact CB-CG2 3.79Å; V58-T63 HydrophobicContact CG2-CG2 3.45Å; V58-T63 VanDerWaalsContact CG2-CG2 3.45Å; K61-T63 PolarHBondContact O-N 3.17Å; T63-I65 PolarHBondContact O-N 3.32Å
64D71.1Confident81.4Confident89 Ų8978.8 Ų78.848%0.47639%0.393SS..  trans-89.397.1174.9-158.8-71.8000108.1N66 T67 S68D64-N66 PolarHBondContact O-N 3.16Å; D64-T67 VanDerWaalsContact CB-OG1 3.29Å; D64-T67 WeakPolarHBondContact CB-OG1 3.1Å; D64-T67 PolarHBondContact O-N 3.34Å; D64-T67 PolarHBondContact O-OG1 3.23Å; D64-T67 WeakPolarHBondContact OD1-CG2 3.25Å; D64-T67 PolarHBondContact OD1-OG1 3.35Å; D64-S68 PolarHBondContact O-N 2.82Å; D64-S68 PolarHBondContact O-OG 3.47Å
65I67.6Low81.5Confident54 Ų5485.3 Ų85.328%0.27742%0.423SS..THydrogen-bonded Turntrans-63.3-22.9-172.357.4169000113.3K37 T63K37-I65 HydrophobicContact CD-CD1 4.26Å; K37-I65 HydrophobicContact CD-CG2 3.96Å; T63-I65 PolarHBondContact O-N 3.32Å
66N64.9Low81.5Confident145 Ų14589.6 Ų89.678%0.77544%0.44SS*.THydrogen-bonded Turntrans-85.9-16.9-174.5-66.9-44.6000112.7D64D64-N66 PolarHBondContact O-N 3.16Å
67T59.5Low81.5Confident98 Ų9889.7 Ų89.760%0.60144%0.44SS*.THydrogen-bonded Turntrans-117.3-21.9-167.8520000113.5D64 L69D64-T67 VanDerWaalsContact CB-OG1 3.29Å; D64-T67 WeakPolarHBondContact CB-OG1 3.1Å; D64-T67 PolarHBondContact O-N 3.34Å; D64-T67 PolarHBondContact O-OG1 3.23Å; D64-T67 WeakPolarHBondContact OD1-CG2 3.25Å; D64-T67 PolarHBondContact OD1-OG1 3.35Å; T67-L69 PolarHBondContact O-N 2.88Å
68S61.3Low81.5Confident33 Ų3397.3 Ų97.323%0.23147%0.474CS..  trans-91.684.9-172.2-57.70000112.5N33 D64 N70N33-S68 WeakPolarHBondContact ND2-CB 3.35Å; N33-S68 PolarHBondContact ND2-OG 2.92Å; N33-S68 VanDerWaalsContact ND2-OG 3.11Å; D64-S68 PolarHBondContact O-N 2.82Å; D64-S68 PolarHBondContact O-OG 3.47Å; S68-N70 PolarHBondContact O-N 3.09Å
69L67.3Low81.5Confident155 Ų15599.1 Ų99.181%0.81248%0.482SS*.  trans-75.9-5.8164.8-67.7176.6000112.8T67T67-L69 PolarHBondContact O-N 2.88Å
70N78.6Confident81.7Confident125 Ų12596.4 Ų96.467%0.66847%0.467SS*.SBendtrans-66.8135.7178.5-66.129.9000110.2S68S68-N70 PolarHBondContact O-N 3.09Å
71Q82.7Confident82Confident159 Ų15986.5 Ų86.574%0.74343%0.432SS*.EExtended strand (participates in β ladder)trans-71.7141.1169.8-64.6-175.5-47.200109.5
72I86.7Confident82.2Confident37 Ų3778.9 Ų78.919%0.1940%0.398CS..EExtended strand (participates in β ladder)trans-119.1130.3179.6-57.3167000107.1S30 C31 N33 I74 I77S30-I72 WeakPolarHBondContact CA-O 3.38Å; C31-I72 PolarHBondContact N-O 3.32Å; C31-I72 VanDerWaalsContact N-O 3.15Å; C31-I72 PolarHBondContact O-N 2.86Å; N33-I72 HydrophobicContact CB-CD1 4.27Å; N33-I72 WeakPolarHBondContact ND2-CD1 3.24Å; N33-I72 WeakPolarHBondContact OD1-CD1 3.26Å; I72-I74 PolarHBondContact O-N 3.38Å; I72-I77 HydrophobicContact CG2-CD1 3.94Å; I72-I77 HydrophobicContact CG2-CG1 4.09Å
73S90.3Very high82.4Confident46 Ų4672.5 Ų72.532%0.32238%0.376SS..EExtended strand (participates in β ladder)trans-72.5112.1171.6-450000108.9E75 E76 I77S73-E75 PolarHBondContact O-N 2.96Å; S73-E76 WeakPolarHBondContact CB-OE2 2.9Å; S73-E76 PolarHBondContact O-N 3.23Å; S73-E76 VanDerWaalsContact O-N 3.16Å; S73-E76 PolarHBondContact OG-OE2 2.94Å; S73-I77 PolarHBondContact O-N 3.15Å
74I90.6Very high82.7Confident2 Ų272.9 Ų72.91%0.0138%0.378CS..G310 helixtrans-67.4-28.6-179.2-56.3-57.2000111.5C4 K6 F27 P28 L29 L36 I72 E76 I77C4-I74 VanDerWaalsContact SG-CB 3.6Å; C4-I74 WeakPolarHBondContact SG-CG2 2.94Å; K6-I74 HydrophobicContact CB-CG2 4.24Å; K6-I74 HydrophobicContact CG-CG2 4.42Å; F27-I74 HydrophobicContact CB-CB 4.43Å; F27-I74 HydrophobicContact CB-CG1 4.04Å; F27-I74 HydrophobicContact CB-CG2 3.9Å; F27-I74 HydrophobicContact CD2-CG2 4.37Å; F27-I74 HydrophobicContact CG-CG2 4.29Å; P28-I74 WeakPolarHBondContact O-CG1 3.46Å; L29-I74 PolarHBondContact O-N 2.68Å; L36-I74 HydrophobicContact CD1-CD1 3.8Å; I72-I74 PolarHBondContact O-N 3.38Å; I74-E76 PolarHBondContact O-N 3.45Å; I74-I77 HydrophobicContact CD1-CD1 3.54Å; I74-I77 HydrophobicContact CG2-CD1 4.5Å; I74-I77 WeakPolarHBondContact O-CB 3.49Å; I74-I77 PolarHBondContact O-N 2.81Å; I74-I77 VanDerWaalsContact O-N 3.12Å
75E90.1Very high83.3Confident143 Ų14371.3 Ų71.367%0.66837%0.373SS*.G310 helixtrans-63-28.3175.4-61.4-176.49600112.8L29 S73L29-E75 HydrophobicContact CD2-CG 3.98Å; S73-E75 PolarHBondContact O-N 2.96Å
76E89.8Confident83.7Confident142 Ų14276.9 Ų76.966%0.66440%0.402SS*.G310 helixtrans-88.4-7.7177.7-60-171102.700113N59 S73 I74 E78N59-E76 PolarHBondContact ND2-O 3.3Å; S73-E76 WeakPolarHBondContact CB-OE2 2.9Å; S73-E76 PolarHBondContact O-N 3.23Å; S73-E76 VanDerWaalsContact O-N 3.16Å; S73-E76 PolarHBondContact OG-OE2 2.94Å; I74-E76 PolarHBondContact O-N 3.45Å; E76-E78 PolarHBondContact O-N 3.13Å
77I91.5Very high83.6Confident2 Ų275.9 Ų75.91%0.0141%0.406CS..  trans-74.7120.5170-58.7-178.9000106K6 L36 V58 I72 S73 I74 E79 L80K6-I77 WeakPolarHBondContact CE-O 3.11Å; K6-I77 PolarHBondContact NZ-O 2.83Å; L36-I77 HydrophobicContact CD1-CD1 3.81Å; V58-I77 HydrophobicContact CG1-CB 4.45Å; V58-I77 HydrophobicContact CG1-CD1 3.9Å; V58-I77 HydrophobicContact CG1-CG1 3.78Å; V58-I77 HydrophobicContact CG1-CG2 4.04Å; V58-I77 HydrophobicContact CG2-CD1 4.33Å; I72-I77 HydrophobicContact CG2-CD1 3.94Å; I72-I77 HydrophobicContact CG2-CG1 4.09Å; S73-I77 PolarHBondContact O-N 3.15Å; I74-I77 HydrophobicContact CD1-CD1 3.54Å; I74-I77 HydrophobicContact CG2-CD1 4.5Å; I74-I77 WeakPolarHBondContact O-CB 3.49Å; I74-I77 PolarHBondContact O-N 2.81Å; I74-I77 VanDerWaalsContact O-N 3.12Å; I77-E79 WeakPolarHBondContact CG2-O 3.2Å; I77-L80 HydrophobicContact CG2-CB 4.34Å; I77-L80 HydrophobicContact CG2-CD1 4.49Å
78E91.4Very high83.6Confident167 Ų16775 Ų7578%0.7842%0.417SS*.  trans-86.3-42.2173-67-172.896.100110K6 N59 E76K6-E78 WeakPolarHBondContact CE-O 3.2Å; K6-E78 VanDerWaalsContact NZ-C 3.32Å; K6-E78 PolarHBondContact NZ-O 2.87Å; N59-E78 PolarHBondContact OD1-N 3.24Å; E76-E78 PolarHBondContact O-N 3.13Å
79E91.7Very high82.8Confident58 Ų5880.5 Ų80.527%0.27148%0.478SS..  trans-136.2134.7-176.4-167.6168.678.300111.9L9 N59 W60 I77L9-E79 HydrophobicContact CD1-CG 3.88Å; N59-E79 PolarHBondContact N-O 3.14Å; N59-E79 PolarHBondContact OD1-N 3.08Å; N59-E79 VanDerWaalsContact OD1-N 3.15Å; W60-E79 VanDerWaalsContact CZ2-OE1 3.25Å; W60-E79 WeakPolarHBondContact CZ2-OE1 3.38Å; W60-E79 PolarHBondContact NE1-OE1 3.47Å; I77-E79 WeakPolarHBondContact CG2-O 3.2Å
80L94.4Very high83.6Confident1 Ų176.8 Ų76.81%0.00546%0.462CS..EExtended strand (participates in β ladder)trans-124.2128.5174.9-16568000109V8 L9 F27 L36 I40 V56 V58 I77V8-L80 CarbonylContact C-O 3.58Å; V8-L80 WeakPolarHBondContact CA-O 3.48Å; V8-L80 HydrophobicContact CG1-CD2 4.33Å; V8-L80 HydrophobicContact CG1-CG 4.44Å; V8-L80 HydrophobicContact CG2-CD2 3.64Å; V8-L80 HydrophobicContact CG2-CG 4.42Å; L9-L80 PolarHBondContact N-O 3.49Å; F27-L80 HydrophobicContact CE1-CD2 4.48Å; F27-L80 HydrophobicContact CE2-CD2 4.12Å; F27-L80 HydrophobicContact CZ-CD2 3.72Å; L36-L80 HydrophobicContact CD1-CD1 4Å; L36-L80 HydrophobicContact CD1-CD2 4.39Å; L36-L80 HydrophobicContact CD2-CD1 3.9Å; L36-L80 HydrophobicContact CD2-CD2 4.07Å; L36-L80 HydrophobicContact CG-CD2 4.41Å; I40-L80 HydrophobicContact CD1-CD2 3.63Å; I40-L80 HydrophobicContact CD1-CG 4.4Å; V56-L80 HydrophobicContact CG1-CD1 3.77Å; V56-L80 HydrophobicContact CG1-CG 4.39Å; V58-L80 HydrophobicContact CB-CD1 4.47Å; V58-L80 HydrophobicContact CG2-CD1 3.51Å; I77-L80 HydrophobicContact CG2-CB 4.34Å; I77-L80 HydrophobicContact CG2-CD1 4.49Å
81A94.5Very high83.9Confident9 Ų974.2 Ų74.27%0.07445%0.451CS..EExtended strand (participates in β ladder)trans-132.6147.5-178.400000111.6L9 F11 V56 A57L9-A81 HydrophobicContact CB-CB 4.2Å; L9-A81 CarbonylContact O-C 3.06Å; L9-A81 WeakPolarHBondContact O-CA 3.29Å; F11-A81 HydrophobicContact CD2-CB 4.32Å; F11-A81 HydrophobicContact CE2-CB 3.84Å; V56-A81 WeakPolarHBondContact CA-O 3.4Å; A57-A81 HydrophobicContact CB-CB 4.34Å; A57-A81 PolarHBondContact N-O 3.22Å; A57-A81 PolarHBondContact O-N 2.91Å
82I92.8Very high83.9Confident0 Ų069.5 Ų69.50%044%0.435CS..EExtended strand (participates in β ladder)trans-114.7117.7179.7-67.7-63.1000108.2V8 L9 L10 F11 A14 I40 L47 L54 V56V8-I82 HydrophobicContact CG1-CD1 4.37Å; V8-I82 HydrophobicContact CG1-CG1 3.48Å; V8-I82 VanDerWaalsContact CG1-CG1 3.48Å; L9-I82 PolarHBondContact O-N 3.11Å; L10-I82 HydrophobicContact CD2-CB 3.95Å; L10-I82 HydrophobicContact CD2-CG1 4.21Å; L10-I82 HydrophobicContact CD2-CG2 4.05Å; F11-I82 PolarHBondContact N-O 3.07Å; A14-I82 HydrophobicContact CB-CG2 3.72Å; I40-I82 HydrophobicContact CD1-CD1 3.86Å; I40-I82 HydrophobicContact CG2-CD1 3.91Å; I40-I82 HydrophobicContact CG2-CG1 4.18Å; L47-I82 HydrophobicContact CD1-CG2 4.26Å; L54-I82 HydrophobicContact CD1-CG2 3.44Å; L54-I82 VanDerWaalsContact CD1-CG2 3.44Å; L54-I82 HydrophobicContact CD2-CD1 3.92Å; L54-I82 HydrophobicContact CD2-CG2 3.45Å; L54-I82 VanDerWaalsContact CD2-CG2 3.45Å; L54-I82 HydrophobicContact CG-CG2 3.6Å; V56-I82 HydrophobicContact CB-CD1 4.45Å; V56-I82 HydrophobicContact CG1-CD1 4.31Å; V56-I82 HydrophobicContact CG2-CD1 3.8Å
83L91.2Very high83.8Confident41 Ų4171.4 Ų71.422%0.21545%0.449CS..EExtended strand (participates in β ladder)trans-116.9109.6-171.6-59.9173.8000108F11 T55 A57 Y62F11-L83 HydrophobicContact CB-CD2 4.06Å; F11-L83 HydrophobicContact CD2-CD2 3.59Å; F11-L83 HydrophobicContact CE2-CD2 4.28Å; F11-L83 HydrophobicContact CG-CD2 3.96Å; T55-L83 PolarHBondContact N-O 3.26Å; T55-L83 PolarHBondContact O-N 3.39Å; A57-L83 HydrophobicContact CB-CD1 3.86Å; Y62-L83 HydrophobicContact CD1-CD1 3.99Å; Y62-L83 HydrophobicContact CE1-CD1 3.35Å
84P88.6Confident83.4Confident24 Ų2473 Ų7316%0.15646%0.457CS..  trans-63.5163.6171.529.9-35.1000110F11 E13 L50 I86F11-P84 WeakPolarHBondContact O-CD 2.94Å; F11-P84 VanDerWaalsContact O-CG 3.27Å; F11-P84 WeakPolarHBondContact O-CG 3.33Å; E13-P84 HydrophobicContact CB-CB 4.17Å; E13-P84 HydrophobicContact CB-CG 4.49Å; L50-P84 HydrophobicContact CD1-CB 4.36Å; P84-I86 PolarHBondContact O-N 3.34Å
85P84.9Confident82.9Confident57 Ų5777.7 Ų77.737%0.3749%0.487SS..  trans-53135.6174.224.1-34.6000109.8S87P85-S87 PolarHBondContact O-N 3.21Å
86I75.7Confident82.4Confident170 Ų17073.1 Ų73.187%0.87247%0.474SS*.  trans-59.3112174.919.6170.8000108.6P84 G88P84-I86 PolarHBondContact O-N 3.34Å; I86-G88 PolarHBondContact O-N 3.47Å
87S63.1Low81.8Confident124 Ų12467.8 Ų67.887%0.86746%0.459SS*.  trans-69.389.5165.2-59.20000107.7P85 G89P85-S87 PolarHBondContact O-N 3.21Å; S87-G89 PolarHBondContact O-N 3.2Å; S87-G89 VanDerWaalsContact O-N 3.09Å
88G59.1Low81Confident80 Ų8073.3 Ų73.383%0.82550%0.497SS*.  trans-68100.6165.700000108.6I86I86-G88 PolarHBondContact O-N 3.47Å
89G44.7Very low80.1Confident148 Ų14864.7 Ų64.7100%1.52647%0.471SS*.  trans-97.70156.400000109.6S87S87-G89 PolarHBondContact O-N 3.2Å; S87-G89 VanDerWaalsContact O-N 3.09Å

Retrieved 89 of 89 residues in 82.3 ms (Link to these results)

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