G4VTK8_SCHMA Loading...

40S ribosomal protein S3

AlphaFold DB , UniProt , Accession G4VTK8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 152 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
1M64Low84.7Confident169 Ų16983.9 Ų83.983%0.83340%0.398SS*.  0-49.20-68.5-156.1-96.800113E3 L4 D5 V22M1-E3 PolarHBondContact O-N 3.48Å; M1-L4 PolarHBondContact O-N 3.29Å; M1-D5 PolarHBondContact O-N 3.27Å; M1-V22 HydrophobicContact SD-CB 4.4Å
2V81.3Confident85Confident118 Ų11876.9 Ų76.972%0.71537%0.365SS*.Hα-helixtrans-59.5-42.6-177.7-176.50000113.7L4 D5 E6V2-L4 VanDerWaalsContact C-N 3.31Å; V2-L4 PolarHBondContact O-N 2.81Å; V2-D5 PolarHBondContact O-N 2.82Å; V2-E6 PolarHBondContact O-N 2.89Å
3E85Confident84.9Confident93 Ų9371.9 Ų71.944%0.43534%0.344SS..Hα-helixtrans-64-36.1-179.4-170.5-177.8178.400112.9M1 F7 R59 F60M1-E3 PolarHBondContact O-N 3.48Å; E3-F7 VanDerWaalsContact O-CB 3.28Å; E3-F7 WeakPolarHBondContact O-CB 3.4Å; E3-F7 PolarHBondContact O-N 2.98Å; E3-R59 IonicContact OE1-CZ 3.12Å; E3-R59 IonicContact OE1-NE 2.71Å; E3-R59 PolarHBondContact OE1-NE 3.37Å; E3-R59 IonicContact OE1-NH2 3.94Å; E3-R59 PolarHBondContact OE1-NH2 3.04Å; E3-F60 HydrophobicContact CB-CE1 4.37Å; E3-F60 HydrophobicContact CB-CZ 4.36Å; E3-F60 HydrophobicContact CG-CE1 4.36Å; E3-F60 HydrophobicContact CG-CZ 4.18Å
4L86.4Confident84.8Confident19 Ų1974.1 Ų74.110%0.09936%0.359CS..Hα-helixtrans-66.6-46.7177.6177.965.6000110.9M1 V2 E6 F7 L8 V22 V31 L56 F60M1-L4 PolarHBondContact O-N 3.29Å; V2-L4 VanDerWaalsContact C-N 3.31Å; V2-L4 PolarHBondContact O-N 2.81Å; L4-E6 VanDerWaalsContact C-N 3.34Å; L4-E6 PolarHBondContact O-N 3.25Å; L4-F7 PolarHBondContact O-N 2.92Å; L4-L8 HydrophobicContact CD1-CD1 4.11Å; L4-L8 HydrophobicContact CD1-CG 4.25Å; L4-L8 HydrophobicContact CG-CD1 4.04Å; L4-L8 WeakPolarHBondContact O-CB 3.3Å; L4-L8 VanDerWaalsContact O-CG 3.31Å; L4-L8 WeakPolarHBondContact O-CG 3.33Å; L4-L8 PolarHBondContact O-N 2.9Å; L4-V22 HydrophobicContact CD2-CG2 3.76Å; L4-V31 HydrophobicContact CD2-CG1 3.94Å; L4-V31 HydrophobicContact CD2-CG2 3.83Å; L4-L56 HydrophobicContact CD1-CD1 3.94Å; L4-L56 HydrophobicContact CD1-CD2 3.36Å; L4-L56 HydrophobicContact CD1-CG 4.3Å; L4-F60 HydrophobicContact CB-CZ 4.3Å; L4-F60 HydrophobicContact CD1-CE2 4.1Å
5D86.9Confident84.8Confident53 Ų5369.3 Ų69.328%0.28334%0.335SS..Hα-helixtrans-62-43.2178.1-17564.1000111.2M1 V2 F7 L8 K9 Y17 S20M1-D5 PolarHBondContact O-N 3.27Å; V2-D5 PolarHBondContact O-N 2.82Å; D5-F7 PolarHBondContact O-N 2.79Å; D5-L8 PolarHBondContact O-N 2.84Å; D5-K9 WeakPolarHBondContact O-CB 3.35Å; D5-K9 PolarHBondContact O-N 3.25Å; D5-Y17 PolarHBondContact OD1-OH 3.49Å; D5-S20 PolarHBondContact OD1-OG 2.88Å
6E87.5Confident84.7Confident91 Ų9165.9 Ų65.943%0.42533%0.325SS..Hα-helixtrans-65.3-39.8177.2-171.7176-169.400112.4V2 L4 R10V2-E6 PolarHBondContact O-N 2.89Å; L4-E6 VanDerWaalsContact C-N 3.34Å; L4-E6 PolarHBondContact O-N 3.25Å; E6-R10 WeakPolarHBondContact O-CG 3.25Å; E6-R10 PolarHBondContact O-N 2.77Å; E6-R10 IonicContact OE1-CZ 2.78Å; E6-R10 IonicContact OE1-NE 3.41Å; E6-R10 IonicContact OE1-NH2 3.19Å; E6-R10 PolarHBondContact OE1-NH2 3.37Å
7F89.4Confident84.8Confident22 Ų2262.1 Ų62.110%0.09631%0.306CS..Hα-helixtrans-62.4-51.2175.1175.7-104000111.4E3 L4 D5 K9 R10 E11 V55 L56 R59E3-F7 VanDerWaalsContact O-CB 3.28Å; E3-F7 WeakPolarHBondContact O-CB 3.4Å; E3-F7 PolarHBondContact O-N 2.98Å; L4-F7 PolarHBondContact O-N 2.92Å; D5-F7 PolarHBondContact O-N 2.79Å; F7-K9 VanDerWaalsContact C-N 3.33Å; F7-K9 PolarHBondContact O-N 3.24Å; F7-R10 PolarHBondContact O-N 3.41Å; F7-E11 HydrophobicContact CD2-CG 4.18Å; F7-E11 HydrophobicContact CE1-CG 4.14Å; F7-E11 HydrophobicContact CE2-CG 3.72Å; F7-E11 HydrophobicContact CZ-CG 3.69Å; F7-E11 WeakPolarHBondContact O-CG 3.47Å; F7-E11 PolarHBondContact O-N 3.4Å; F7-V55 HydrophobicContact CE1-CG1 4.31Å; F7-V55 HydrophobicContact CE2-CG1 4.34Å; F7-V55 HydrophobicContact CZ-CG1 3.65Å; F7-L56 HydrophobicContact CD1-CD2 3.72Å; F7-L56 HydrophobicContact CE1-CD2 3.79Å; F7-L56 HydrophobicContact CE1-CG 4.36Å; F7-R59 VanDerWaalsContact CD2-NH1 3.33Å
8L88.8Confident84.8Confident0 Ų058.8 Ų58.80%029%0.29CS..Hα-helixtrans-62.9-39.5179.4-69174.3000111.9L4 D5 R10 E11 L12 Y17 V31 I33L4-L8 HydrophobicContact CD1-CD1 4.11Å; L4-L8 HydrophobicContact CD1-CG 4.25Å; L4-L8 HydrophobicContact CG-CD1 4.04Å; L4-L8 WeakPolarHBondContact O-CB 3.3Å; L4-L8 VanDerWaalsContact O-CG 3.31Å; L4-L8 WeakPolarHBondContact O-CG 3.33Å; L4-L8 PolarHBondContact O-N 2.9Å; D5-L8 PolarHBondContact O-N 2.84Å; L8-R10 VanDerWaalsContact C-N 3.27Å; L8-R10 PolarHBondContact O-N 2.87Å; L8-E11 PolarHBondContact O-N 3.02Å; L8-L12 HydrophobicContact CD2-CD1 4.07Å; L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.32Å; L8-L12 PolarHBondContact O-N 3.26Å; L8-Y17 HydrophobicContact CB-CD2 4.2Å; L8-Y17 HydrophobicContact CB-CE2 3.61Å; L8-Y17 HydrophobicContact CD1-CE2 4.2Å; L8-V31 HydrophobicContact CD1-CG1 4.27Å; L8-I33 HydrophobicContact CD1-CD1 4.44Å; L8-I33 HydrophobicContact CD1-CG1 4.2Å; L8-I33 HydrophobicContact CD2-CD1 3.99Å
9K88.3Confident84.8Confident83 Ų8357.6 Ų57.636%0.36129%0.291SS..Hα-helixtrans-61.1-34.1176.5-174.6173.2-176.8170.90113D5 F7 A13 Y17D5-K9 WeakPolarHBondContact O-CB 3.35Å; D5-K9 PolarHBondContact O-N 3.25Å; F7-K9 VanDerWaalsContact C-N 3.33Å; F7-K9 PolarHBondContact O-N 3.24Å; K9-A13 WeakPolarHBondContact O-CB 3.4Å; K9-Y17 HydrophobicContact CB-CD1 3.87Å; K9-Y17 HydrophobicContact CB-CE1 3.88Å; K9-Y17 HydrophobicContact CG-CD1 4.2Å; K9-Y17 HydrophobicContact CG-CE1 4.5Å
10R87.1Confident84.9Confident175 Ų17556.1 Ų56.166%0.6629%0.286SS*.Hα-helixtrans-77-47.1176.9-69.9174.4-174.5-163.84.1111.7E6 F7 L8E6-R10 WeakPolarHBondContact O-CG 3.25Å; E6-R10 PolarHBondContact O-N 2.77Å; E6-R10 IonicContact OE1-CZ 2.78Å; E6-R10 IonicContact OE1-NE 3.41Å; E6-R10 IonicContact OE1-NH2 3.19Å; E6-R10 PolarHBondContact OE1-NH2 3.37Å; F7-R10 PolarHBondContact O-N 3.41Å; L8-R10 VanDerWaalsContact C-N 3.27Å; L8-R10 PolarHBondContact O-N 2.87Å
11E87.2Confident85.1Confident100 Ų10057.8 Ų57.847%0.46729%0.292SS..Hα-helixtrans-72.8-33.7-175.6-68.4-60134.800113.5F7 L8 R48F7-E11 HydrophobicContact CD2-CG 4.18Å; F7-E11 HydrophobicContact CE1-CG 4.14Å; F7-E11 HydrophobicContact CE2-CG 3.72Å; F7-E11 HydrophobicContact CZ-CG 3.69Å; F7-E11 WeakPolarHBondContact O-CG 3.47Å; F7-E11 PolarHBondContact O-N 3.4Å; L8-E11 PolarHBondContact O-N 3.02Å; E11-R48 PolarHBondContact O-NH2 3.45Å
12L87.9Confident86.2Confident0 Ų051.7 Ų51.70%026%0.264CS..THydrogen-bonded Turntrans-105.618.2-174.6-58.3178.3000113.1L8 D14 D15 G16 Y17 I33 V41 L52L8-L12 HydrophobicContact CD2-CD1 4.07Å; L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.32Å; L8-L12 PolarHBondContact O-N 3.26Å; L12-D14 VanDerWaalsContact C-N 3.25Å; L12-D14 PolarHBondContact O-N 2.98Å; L12-D15 HydrophobicContact CB-CB 4.49Å; L12-D15 WeakPolarHBondContact CD2-OD2 3.29Å; L12-D15 PolarHBondContact O-N 3.37Å; L12-D15 VanDerWaalsContact O-N 3.09Å; L12-G16 PolarHBondContact O-N 2.92Å; L12-Y17 HydrophobicContact CB-CD2 4.29Å; L12-Y17 HydrophobicContact CB-CG 4.38Å; L12-Y17 HydrophobicContact CD1-CD2 4.1Å; L12-Y17 WeakPolarHBondContact O-CB 3.36Å; L12-Y17 PolarHBondContact O-N 3.23Å; L12-I33 HydrophobicContact CD1-CD1 4.12Å; L12-I33 HydrophobicContact CD1-CG2 3.71Å; L12-V41 HydrophobicContact CD1-CG1 4.18Å; L12-V41 HydrophobicContact CD2-CG1 4.12Å; L12-V41 HydrophobicContact CD2-CG2 4.27Å; L12-L52 HydrophobicContact CD2-CD1 4.06Å
13A84.2Confident86.5Confident12 Ų1252.7 Ų52.710%0.09926%0.255CS..THydrogen-bonded Turntrans-60.7-34.7-178.800000112.3K9 D15 E86 Y90K9-A13 WeakPolarHBondContact O-CB 3.4Å; A13-D15 VanDerWaalsContact C-N 3.34Å; A13-E86 WeakPolarHBondContact CA-OE1 3.28Å; A13-E86 WeakPolarHBondContact CB-OE1 3.34Å; A13-Y90 VanDerWaalsContact C-OH 3.24Å; A13-Y90 PolarHBondContact O-OH 3.31Å; A13-Y90 VanDerWaalsContact O-OH 3.06Å
14D84Confident86.5Confident102 Ų10255.1 Ų55.155%0.54527%0.267SS..THydrogen-bonded Turntrans-75.9-23177.7-69.7-40.3000113.4L12 K37 Y90L12-D14 VanDerWaalsContact C-N 3.25Å; L12-D14 PolarHBondContact O-N 2.98Å; D14-K37 PolarHBondContact O-NZ 2.93Å; D14-Y90 VanDerWaalsContact CA-OH 3.24Å; D14-Y90 WeakPolarHBondContact CA-OH 3.43Å; D14-Y90 PolarHBondContact N-OH 3.34Å; D14-Y90 WeakPolarHBondContact OD1-CE1 3.43Å; D14-Y90 VanDerWaalsContact OD1-CZ 3.22Å; D14-Y90 PolarHBondContact OD1-OH 3.39Å
15D85Confident86.3Confident2 Ų256.5 Ų56.51%0.01128%0.278CS..THydrogen-bonded Turntrans-89.4-6.3-176.6-54.4-61.1000112.8L12 A13 K37 S40 V41 R48L12-D15 HydrophobicContact CB-CB 4.49Å; L12-D15 WeakPolarHBondContact CD2-OD2 3.29Å; L12-D15 PolarHBondContact O-N 3.37Å; L12-D15 VanDerWaalsContact O-N 3.09Å; A13-D15 VanDerWaalsContact C-N 3.34Å; D15-K37 WeakPolarHBondContact O-CB 3.4Å; D15-K37 PolarHBondContact O-N 3.38Å; D15-K37 VanDerWaalsContact O-N 3.08Å; D15-S40 WeakPolarHBondContact OD1-CB 3.32Å; D15-S40 PolarHBondContact OD1-OG 2.97Å; D15-V41 HydrophobicContact CB-CG2 3.63Å; D15-R48 VanDerWaalsContact CG-NH1 3.25Å; D15-R48 IonicContact OD1-CZ 2.95Å; D15-R48 IonicContact OD1-NH1 2.95Å; D15-R48 PolarHBondContact OD1-NH1 3.48Å; D15-R48 IonicContact OD2-CZ 2.73Å; D15-R48 IonicContact OD2-NH1 2.87Å; D15-R48 PolarHBondContact OD2-NH1 2.96Å; D15-R48 IonicContact OD2-NH2 3.45Å; D15-R48 PolarHBondContact OD2-NH2 3.47Å
16G82.7Confident85.8Confident16 Ų1666.5 Ų66.517%0.16531%0.312CS..THydrogen-bonded Turntrans73.253.7-176.800000111.4L12 A35 T36L12-G16 PolarHBondContact O-N 2.92Å; G16-A35 WeakPolarHBondContact O-CA 3.46Å; G16-T36 PolarHBondContact O-N 2.97Å; G16-T36 PolarHBondContact O-OG1 2.85Å
17Y86.5Confident85.5Confident0 Ų071.1 Ų71.10%033%0.33CS..EExtended strand (participates in β ladder)trans-56.6145.7168-179.1-101.2000110.8D5 L8 K9 L12 S20 I33D5-Y17 PolarHBondContact OD1-OH 3.49Å; L8-Y17 HydrophobicContact CB-CD2 4.2Å; L8-Y17 HydrophobicContact CB-CE2 3.61Å; L8-Y17 HydrophobicContact CD1-CE2 4.2Å; K9-Y17 HydrophobicContact CB-CD1 3.87Å; K9-Y17 HydrophobicContact CB-CE1 3.88Å; K9-Y17 HydrophobicContact CG-CD1 4.2Å; K9-Y17 HydrophobicContact CG-CE1 4.5Å; L12-Y17 HydrophobicContact CB-CD2 4.29Å; L12-Y17 HydrophobicContact CB-CG 4.38Å; L12-Y17 HydrophobicContact CD1-CD2 4.1Å; L12-Y17 WeakPolarHBondContact O-CB 3.36Å; L12-Y17 PolarHBondContact O-N 3.23Å; Y17-S20 WeakPolarHBondContact OH-CB 3.35Å; Y17-S20 PolarHBondContact OH-N 3.14Å; Y17-S20 PolarHBondContact OH-OG 2.87Å; Y17-I33 HydrophobicContact CD2-CG2 4Å; Y17-I33 HydrophobicContact CE2-CG2 4.09Å
18S83.8Confident85.2Confident3 Ų375.2 Ų75.22%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-131.7-52.5177-580000111.2L34 M74 I82S18-L34 PolarHBondContact N-O 2.95Å; S18-M74 VanDerWaalsContact CB-SD 3.52Å; S18-M74 PolarHBondContact OG-SD 3.21Å; S18-I82 WeakPolarHBondContact O-CD1 3.16Å
19A85.4Confident85.1Confident37 Ų3776.3 Ų76.331%0.30635%0.352SS..EExtended strand (participates in β ladder)trans-154.6163.1179.400000111L34A19-L34 HydrophobicContact CB-CD1 4.17Å; A19-L34 WeakPolarHBondContact O-CB 3.36Å; A19-L34 PolarHBondContact O-N 3.24Å
20S87.6Confident85.1Confident27 Ų2774.5 Ų74.519%0.18935%0.345CS..EExtended strand (participates in β ladder)trans-121.9139.6167.955.70000109.6D5 Y17 I32D5-S20 PolarHBondContact OD1-OG 2.88Å; Y17-S20 WeakPolarHBondContact OH-CB 3.35Å; Y17-S20 PolarHBondContact OH-N 3.14Å; Y17-S20 PolarHBondContact OH-OG 2.87Å; S20-I32 CarbonylContact C-O 3.4Å; S20-I32 WeakPolarHBondContact CA-O 3.38Å
21Q87.8Confident85.2Confident92 Ų9266.3 Ų66.343%0.4332%0.315SS..EExtended strand (participates in β ladder)trans-111.2127.3170-59.9-178.48.800108.1V31 I32 L34Q21-V31 WeakPolarHBondContact O-CA 3.13Å; Q21-I32 HydrophobicContact CB-CB 4.3Å; Q21-I32 PolarHBondContact N-O 2.96Å; Q21-I32 PolarHBondContact O-N 3.5Å; Q21-L34 HydrophobicContact CG-CD1 4.38Å
22V88Confident85.4Confident40 Ų4062.1 Ų62.124%0.24230%0.296CS..EExtended strand (participates in β ladder)trans-104.9122.2175.9-172.40000108.1M1 L4 E24 T29 E30 V31M1-V22 HydrophobicContact SD-CB 4.4Å; L4-V22 HydrophobicContact CD2-CG2 3.76Å; V22-E24 HydrophobicContact CG1-CG 3.92Å; V22-T29 HydrophobicContact CG1-CG2 3.67Å; V22-E30 CarbonylContact C-O 3.56Å; V22-E30 WeakPolarHBondContact CA-O 3.5Å; V22-V31 HydrophobicContact CG1-CG2 4.45Å; V22-V31 HydrophobicContact CG2-CG2 4.37Å
23R87.5Confident85.5Confident140 Ų14062.1 Ų62.153%0.52830%0.296SS..EExtended strand (participates in β ladder)trans-108.8108.6171.4-63-177.1176.2-179.10.4108.4E30R23-E30 HydrophobicContact CB-CB 4.24Å; R23-E30 PolarHBondContact N-O 3.15Å; R23-E30 PolarHBondContact O-N 2.81Å
24E84.1Confident85.8Confident143 Ų14363.1 Ų63.167%0.66830%0.299SS*.EExtended strand (participates in β ladder)trans-93.1118.8178.3-62.9-179.6178.300109.5V22 T29V22-E24 HydrophobicContact CG1-CG 3.92Å; E24-T29 HydrophobicContact CG-CG2 4.21Å
25S82.3Confident86Confident48 Ų4858.3 Ų58.334%0.33627%0.273SS..  trans-108.4157.7166.2-69.90000109.4K27 Y28S25-K27 PolarHBondContact O-N 3.43Å; S25-Y28 CarbonylContact C-O 3.51Å; S25-Y28 WeakPolarHBondContact CA-O 3.24Å; S25-Y28 WeakPolarHBondContact CB-O 3.28Å; S25-Y28 PolarHBondContact N-O 2.8Å; S25-Y28 PolarHBondContact O-N 3.42Å; S25-Y28 WeakPolarHBondContact OG-CE2 3.46Å; S25-Y28 PolarHBondContact OG-OH 2.89Å
26R77.2Confident86Confident264 Ų26460 Ų60100%0.99628%0.284SS*.SBendtrans-54.7-23.9-177.9-66.9-175.2-179.1-178.40.4114.6
27K80.8Confident86.2Confident187 Ų18764.7 Ų64.781%0.81330%0.3SS*.SBendtrans-113.4-19.3-175.7-67.3-175.1178-176.60113.9S25S25-K27 PolarHBondContact O-N 3.43Å
28Y84.2Confident86.3Confident109 Ų10966.4 Ų66.443%0.42731%0.31SS..  trans-153.6145.4-171.358.5-92.5000110.2S25 E30 A66S25-Y28 CarbonylContact C-O 3.51Å; S25-Y28 WeakPolarHBondContact CA-O 3.24Å; S25-Y28 WeakPolarHBondContact CB-O 3.28Å; S25-Y28 PolarHBondContact N-O 2.8Å; S25-Y28 PolarHBondContact O-N 3.42Å; S25-Y28 WeakPolarHBondContact OG-CE2 3.46Å; S25-Y28 PolarHBondContact OG-OH 2.89Å; Y28-E30 HydrophobicContact CD2-CG 3.6Å; Y28-E30 HydrophobicContact CE2-CG 3.75Å; Y28-E30 VanDerWaalsContact CE2-OE1 3.25Å; Y28-E30 WeakPolarHBondContact CE2-OE1 3.19Å; Y28-A66 CarbonylContact C-O 3.51Å; Y28-A66 VanDerWaalsContact CA-O 3.3Å; Y28-A66 WeakPolarHBondContact CA-O 3.4Å
29T86.2Confident86.6Confident22 Ų2274.1 Ų74.114%0.13535%0.346CS..EExtended strand (participates in β ladder)trans-109.9121.7173.2-59.60000107.7V22 E24 V31 A66 L67 G68V22-T29 HydrophobicContact CG1-CG2 3.67Å; E24-T29 HydrophobicContact CG-CG2 4.21Å; T29-V31 HydrophobicContact CG2-CG2 4.46Å; T29-A66 PolarHBondContact N-O 2.95Å; T29-L67 HydrophobicContact CG2-CD1 4.41Å; T29-L67 WeakPolarHBondContact O-CA 3.47Å; T29-G68 PolarHBondContact O-N 2.87Å
30E88.8Confident86.8Confident46 Ų4674.8 Ų74.822%0.21535%0.348CS..EExtended strand (participates in β ladder)trans-101.5129.9174-48179.8150.400109.1V22 R23 Y28 G68 F70V22-E30 CarbonylContact C-O 3.56Å; V22-E30 WeakPolarHBondContact CA-O 3.5Å; R23-E30 HydrophobicContact CB-CB 4.24Å; R23-E30 PolarHBondContact N-O 3.15Å; R23-E30 PolarHBondContact O-N 2.81Å; Y28-E30 HydrophobicContact CD2-CG 3.6Å; Y28-E30 HydrophobicContact CE2-CG 3.75Å; Y28-E30 VanDerWaalsContact CE2-OE1 3.25Å; Y28-E30 WeakPolarHBondContact CE2-OE1 3.19Å; E30-G68 CarbonylContact C-O 3.53Å; E30-G68 WeakPolarHBondContact CA-O 3.41Å; E30-F70 HydrophobicContact CB-CD2 4.31Å; E30-F70 HydrophobicContact CB-CE2 4.21Å; E30-F70 HydrophobicContact CG-CE2 4.21Å
31V89.2Confident86.8Confident3 Ų373.5 Ų73.52%0.01834%0.339CS..EExtended strand (participates in β ladder)trans-114.3114.9172.3-177.90000107.8L4 L8 Q21 V22 T29 I33 L67 G68 L69 F70L4-V31 HydrophobicContact CD2-CG1 3.94Å; L4-V31 HydrophobicContact CD2-CG2 3.83Å; L8-V31 HydrophobicContact CD1-CG1 4.27Å; Q21-V31 WeakPolarHBondContact O-CA 3.13Å; V22-V31 HydrophobicContact CG1-CG2 4.45Å; V22-V31 HydrophobicContact CG2-CG2 4.37Å; T29-V31 HydrophobicContact CG2-CG2 4.46Å; V31-I33 HydrophobicContact CG1-CG1 4.36Å; V31-L67 HydrophobicContact CG2-CD1 3.81Å; V31-G68 PolarHBondContact N-O 2.71Å; V31-L69 HydrophobicContact CB-CD2 3.65Å; V31-L69 HydrophobicContact CG1-CD2 4.28Å; V31-L69 HydrophobicContact CG2-CD2 4.2Å; V31-L69 WeakPolarHBondContact O-CA 3.49Å; V31-F70 PolarHBondContact O-N 3.43Å
32I90.7Very high86.9Confident12 Ų1272.2 Ų72.26%0.06234%0.335CS..EExtended strand (participates in β ladder)trans-98.5112.8177.6-53.6170.8000107.4S20 Q21 F70 D72S20-I32 CarbonylContact C-O 3.4Å; S20-I32 WeakPolarHBondContact CA-O 3.38Å; Q21-I32 HydrophobicContact CB-CB 4.3Å; Q21-I32 PolarHBondContact N-O 2.96Å; Q21-I32 PolarHBondContact O-N 3.5Å; I32-F70 WeakPolarHBondContact CA-O 3.26Å; I32-F70 HydrophobicContact CG1-CB 4.33Å; I32-D72 HydrophobicContact CG2-CB 4.05Å; I32-D72 WeakPolarHBondContact CG2-OD2 3.49Å
33I90.4Very high87Confident0 Ų071.7 Ų71.70%034%0.337CS..EExtended strand (participates in β ladder)trans-90.8120.1179.1-58.4175000108.3L8 L12 Y17 V31 A35 F70 V71 D72L8-I33 HydrophobicContact CD1-CD1 4.44Å; L8-I33 HydrophobicContact CD1-CG1 4.2Å; L8-I33 HydrophobicContact CD2-CD1 3.99Å; L12-I33 HydrophobicContact CD1-CD1 4.12Å; L12-I33 HydrophobicContact CD1-CG2 3.71Å; Y17-I33 HydrophobicContact CD2-CG2 4Å; Y17-I33 HydrophobicContact CE2-CG2 4.09Å; V31-I33 HydrophobicContact CG1-CG1 4.36Å; I33-A35 HydrophobicContact CG2-CB 4.47Å; I33-F70 PolarHBondContact N-O 3.42Å; I33-V71 WeakPolarHBondContact O-CA 3.38Å; I33-D72 PolarHBondContact O-N 2.91Å
34L89.5Confident87.1Confident33 Ų3373.1 Ų73.117%0.17335%0.35CS..EExtended strand (participates in β ladder)trans-93.9110.8173.7-64.2167.6000109.1S18 A19 Q21 D72S18-L34 PolarHBondContact N-O 2.95Å; A19-L34 HydrophobicContact CB-CD1 4.17Å; A19-L34 WeakPolarHBondContact O-CB 3.36Å; A19-L34 PolarHBondContact O-N 3.24Å; Q21-L34 HydrophobicContact CG-CD1 4.38Å; L34-D72 HydrophobicContact CD2-CB 3.66Å
35A88Confident87.2Confident0 Ų073.9 Ų73.90%036%0.359CS..EExtended strand (participates in β ladder)trans-133.7155.2-178.500000112.1G16 I33 V41 D72 M74G16-A35 WeakPolarHBondContact O-CA 3.46Å; I33-A35 HydrophobicContact CG2-CB 4.47Å; A35-V41 HydrophobicContact CB-CG2 3.8Å; A35-D72 PolarHBondContact N-O 2.71Å; A35-D72 VanDerWaalsContact N-O 3.14Å; A35-M74 PolarHBondContact O-N 3.39Å
36T85.6Confident87.4Confident38 Ų3874.1 Ų74.123%0.23336%0.361CS..SBendtrans-75.6-42.7175.5-58.20000111.5G16 R77G16-T36 PolarHBondContact O-N 2.97Å; G16-T36 PolarHBondContact O-OG1 2.85Å; T36-R77 HydrophobicContact CG2-CB 4.41Å
37K85.7Confident88Confident115 Ų11566.2 Ų66.250%0.534%0.337SS..  trans-105.875.8-177.9-58.4178.9-167.9159.50111.3D14 D15 Q39 S40 V41D14-K37 PolarHBondContact O-NZ 2.93Å; D15-K37 WeakPolarHBondContact O-CB 3.4Å; D15-K37 PolarHBondContact O-N 3.38Å; D15-K37 VanDerWaalsContact O-N 3.08Å; K37-Q39 VanDerWaalsContact C-N 3.28Å; K37-Q39 PolarHBondContact O-N 3.39Å; K37-S40 PolarHBondContact O-N 3.3Å; K37-S40 VanDerWaalsContact O-N 3.09Å; K37-V41 PolarHBondContact O-N 3.09Å
38T89.8Confident88.4Confident36 Ų3660.6 Ų60.622%0.22131%0.311CS..Hα-helixtrans-56.7-39.1-177.258.70000113.6S40 V41 L42 V71 K73T38-S40 VanDerWaalsContact C-N 3.31Å; T38-S40 PolarHBondContact O-N 3.08Å; T38-V41 PolarHBondContact O-N 3.11Å; T38-L42 WeakPolarHBondContact O-CG 3.47Å; T38-L42 PolarHBondContact O-N 2.95Å; T38-V71 HydrophobicContact CG2-CG1 3.81Å; T38-K73 HydrophobicContact CG2-CB 3.7Å; T38-K73 HydrophobicContact CG2-CG 4.25Å
39Q89.7Confident88.7Confident165 Ų16556.4 Ų56.477%0.77130%0.296SS*.Hα-helixtrans-61.1-38.5178.1-69.3-178.8-15.600112.9K37 L42 G43K37-Q39 VanDerWaalsContact C-N 3.28Å; K37-Q39 PolarHBondContact O-N 3.39Å; Q39-L42 PolarHBondContact O-N 3.37Å; Q39-G43 PolarHBondContact O-N 2.93Å
40S89.2Confident88.9Confident51 Ų5163.9 Ų63.936%0.35732%0.322SS..Hα-helixtrans-71.4-34-179.6-164.90000111.6D15 K37 T38 R48D15-S40 WeakPolarHBondContact OD1-CB 3.32Å; D15-S40 PolarHBondContact OD1-OG 2.97Å; K37-S40 PolarHBondContact O-N 3.3Å; K37-S40 VanDerWaalsContact O-N 3.09Å; T38-S40 VanDerWaalsContact C-N 3.31Å; T38-S40 PolarHBondContact O-N 3.08Å; S40-R48 WeakPolarHBondContact O-CD 3.43Å; S40-R48 PolarHBondContact O-NH1 2.95Å
41V88.7Confident88.9Confident0 Ų066.8 Ų66.80%034%0.335CS..Hα-helixtrans-69.5-40173.3-176.90000111.4L12 D15 A35 K37 T38 V71L12-V41 HydrophobicContact CD1-CG1 4.18Å; L12-V41 HydrophobicContact CD2-CG1 4.12Å; L12-V41 HydrophobicContact CD2-CG2 4.27Å; D15-V41 HydrophobicContact CB-CG2 3.63Å; A35-V41 HydrophobicContact CB-CG2 3.8Å; K37-V41 PolarHBondContact O-N 3.09Å; T38-V41 PolarHBondContact O-N 3.11Å; V41-V71 HydrophobicContact CB-CG1 4.22Å; V41-V71 HydrophobicContact CB-CG2 4.37Å; V41-V71 HydrophobicContact CG1-CG1 4.28Å; V41-V71 HydrophobicContact CG1-CG2 3.7Å
42L90.2Very high89Confident65 Ų6567.3 Ų67.334%0.3434%0.338SS..Hα-helixtrans-65.1-41.9176-71.3166.3000111.4T38 Q39 S46 R48 I49 V71T38-L42 WeakPolarHBondContact O-CG 3.47Å; T38-L42 PolarHBondContact O-N 2.95Å; Q39-L42 PolarHBondContact O-N 3.37Å; L42-S46 CarbonylContact O-C 3.57Å; L42-S46 VanDerWaalsContact O-CA 3.28Å; L42-S46 WeakPolarHBondContact O-CA 3.31Å; L42-R48 PolarHBondContact O-N 3.09Å; L42-I49 HydrophobicContact CD2-CD1 4Å; L42-I49 HydrophobicContact CD2-CG2 4.22Å; L42-I49 PolarHBondContact O-N 3.38Å; L42-V71 HydrophobicContact CD2-CG2 4.4Å
43G88.8Confident88.9Confident28 Ų2867.5 Ų67.529%0.28934%0.341SS..  trans74.3-179.4-174.500000112.9Q39 D45Q39-G43 PolarHBondContact O-N 2.93Å; G43-D45 PolarHBondContact O-N 3.16Å
44E89.6Confident88.7Confident171 Ų17169.4 Ų69.480%0.79936%0.355SS*.G310 helixtrans-62128.5173.7-65-178.8177.300109.7S46 L47E44-S46 PolarHBondContact O-N 3.05Å; E44-L47 WeakPolarHBondContact O-CB 3.37Å; E44-L47 PolarHBondContact O-N 3.01Å
45D86Confident88.7Confident158 Ų15871 Ų7185%0.84537%0.366SS*.G310 helixtrans47.934.4179.7-62.6-29.1000115.4G43 L47G43-D45 PolarHBondContact O-N 3.16Å; D45-L47 PolarHBondContact O-N 3.03Å
46S86.7Confident88.7Confident54 Ų5471.1 Ų71.138%0.37837%0.366SS..G310 helixtrans60.521.6-175.871.10000114.6L42 E44 I49 R50L42-S46 CarbonylContact O-C 3.57Å; L42-S46 VanDerWaalsContact O-CA 3.28Å; L42-S46 WeakPolarHBondContact O-CA 3.31Å; E44-S46 PolarHBondContact O-N 3.05Å; S46-I49 WeakPolarHBondContact O-CG2 3.5Å; S46-R50 VanDerWaalsContact O-CG 3.24Å; S46-R50 WeakPolarHBondContact O-CG 3.43Å; S46-R50 PolarHBondContact O-N 3.44Å
47L90.8Very high88.7Confident97 Ų9771.5 Ų71.551%0.50837%0.366SS..Hα-helixtrans-62.6-49.5-179.1-176.666.6000111.5E44 D45 I49 R50 E51E44-L47 WeakPolarHBondContact O-CB 3.37Å; E44-L47 PolarHBondContact O-N 3.01Å; D45-L47 PolarHBondContact O-N 3.03Å; L47-I49 PolarHBondContact O-N 2.96Å; L47-R50 WeakPolarHBondContact O-CB 3.46Å; L47-R50 PolarHBondContact O-N 3.33Å; L47-R50 VanDerWaalsContact O-N 3.11Å; L47-E51 WeakPolarHBondContact O-CG 3.34Å; L47-E51 PolarHBondContact O-N 3.01Å
48R89.8Confident88.8Confident69 Ų6974.2 Ų74.226%0.2638%0.377SS..Hα-helixtrans-63.3-41.4-175-169177.1-176.4-165.5-5.9112.1E11 D15 S40 L42 R50 E51 L52E11-R48 PolarHBondContact O-NH2 3.45Å; D15-R48 VanDerWaalsContact CG-NH1 3.25Å; D15-R48 IonicContact OD1-CZ 2.95Å; D15-R48 IonicContact OD1-NH1 2.95Å; D15-R48 PolarHBondContact OD1-NH1 3.48Å; D15-R48 IonicContact OD2-CZ 2.73Å; D15-R48 IonicContact OD2-NH1 2.87Å; D15-R48 PolarHBondContact OD2-NH1 2.96Å; D15-R48 IonicContact OD2-NH2 3.45Å; D15-R48 PolarHBondContact OD2-NH2 3.47Å; S40-R48 WeakPolarHBondContact O-CD 3.43Å; S40-R48 PolarHBondContact O-NH1 2.95Å; L42-R48 PolarHBondContact O-N 3.09Å; R48-R50 VanDerWaalsContact C-N 3.33Å; R48-R50 PolarHBondContact O-N 2.51Å; R48-E51 PolarHBondContact O-N 3.46Å; R48-L52 HydrophobicContact CG-CD1 4.44Å; R48-L52 WeakPolarHBondContact O-CB 3.27Å; R48-L52 VanDerWaalsContact O-CG 3.31Å; R48-L52 WeakPolarHBondContact O-CG 3.31Å; R48-L52 PolarHBondContact O-N 2.94Å
49I90.3Very high88.6Confident22 Ų2278.7 Ų78.711%0.11339%0.39CS..Hα-helixtrans-66.3-34.6176.3-170.4169.9000112.2L42 S46 L47 A53 L69 V71L42-I49 HydrophobicContact CD2-CD1 4Å; L42-I49 HydrophobicContact CD2-CG2 4.22Å; L42-I49 PolarHBondContact O-N 3.38Å; S46-I49 WeakPolarHBondContact O-CG2 3.5Å; L47-I49 PolarHBondContact O-N 2.96Å; I49-A53 WeakPolarHBondContact O-CB 3.45Å; I49-A53 PolarHBondContact O-N 3.06Å; I49-L69 HydrophobicContact CD1-CB 4.1Å; I49-L69 HydrophobicContact CG1-CB 4Å; I49-L69 HydrophobicContact CG1-CD1 4.28Å; I49-V71 HydrophobicContact CD1-CG2 3.76Å
50R89.2Confident88.2Confident178 Ų17874.1 Ų74.167%0.67237%0.368SS*.Hα-helixtrans-69.7-39175.4-71.1174.467.4-177.70.8112.1S46 L47 R48 A53 S54S46-R50 VanDerWaalsContact O-CG 3.24Å; S46-R50 WeakPolarHBondContact O-CG 3.43Å; S46-R50 PolarHBondContact O-N 3.44Å; L47-R50 WeakPolarHBondContact O-CB 3.46Å; L47-R50 PolarHBondContact O-N 3.33Å; L47-R50 VanDerWaalsContact O-N 3.11Å; R48-R50 VanDerWaalsContact C-N 3.33Å; R48-R50 PolarHBondContact O-N 2.51Å; R50-A53 PolarHBondContact O-N 2.92Å; R50-S54 PolarHBondContact O-N 3.32Å
51E90Very high87.7Confident108 Ų10874.8 Ų74.851%0.50538%0.383SS..Hα-helixtrans-62.1-48.4173.1-71.6174.7166.500111.1L47 R48 A53 S54 V55L47-E51 WeakPolarHBondContact O-CG 3.34Å; L47-E51 PolarHBondContact O-N 3.01Å; R48-E51 PolarHBondContact O-N 3.46Å; E51-A53 VanDerWaalsContact C-N 3.3Å; E51-A53 PolarHBondContact O-N 3.49Å; E51-S54 PolarHBondContact O-N 3.03Å; E51-S54 VanDerWaalsContact O-N 3.09Å; E51-V55 WeakPolarHBondContact O-CG2 3.47Å; E51-V55 PolarHBondContact O-N 3.49Å
52L89.3Confident87.1Confident13 Ų1378 Ų787%0.06840%0.397CS..Hα-helixtrans-57.7-43.4174.9-72.5170.6000111.5L12 R48 S54 V55 L56 L69L12-L52 HydrophobicContact CD2-CD1 4.06Å; R48-L52 HydrophobicContact CG-CD1 4.44Å; R48-L52 WeakPolarHBondContact O-CB 3.27Å; R48-L52 VanDerWaalsContact O-CG 3.31Å; R48-L52 WeakPolarHBondContact O-CG 3.31Å; R48-L52 PolarHBondContact O-N 2.94Å; L52-S54 VanDerWaalsContact C-N 3.33Å; L52-S54 PolarHBondContact O-N 3.33Å; L52-V55 PolarHBondContact O-N 2.91Å; L52-L56 WeakPolarHBondContact O-CB 3.16Å; L52-L56 VanDerWaalsContact O-CG 3.27Å; L52-L56 WeakPolarHBondContact O-CG 3.48Å; L52-L56 PolarHBondContact O-N 3.38Å; L52-L69 HydrophobicContact CB-CD1 4.1Å
53A88.8Confident86.4Confident17 Ų1778.9 Ų78.914%0.1441%0.408CS..Hα-helixtrans-59.6-43175.200000111.8I49 R50 E51 L56 Q57 L69I49-A53 WeakPolarHBondContact O-CB 3.45Å; I49-A53 PolarHBondContact O-N 3.06Å; R50-A53 PolarHBondContact O-N 2.92Å; E51-A53 VanDerWaalsContact C-N 3.3Å; E51-A53 PolarHBondContact O-N 3.49Å; A53-L56 PolarHBondContact O-N 3.42Å; A53-Q57 WeakPolarHBondContact O-CB 3.41Å; A53-Q57 WeakPolarHBondContact O-CG 3.22Å; A53-Q57 PolarHBondContact O-N 3.26Å; A53-L69 HydrophobicContact CB-CD1 3.74Å; A53-L69 HydrophobicContact CB-CG 4.15Å
54S87.8Confident85.5Confident40 Ų4084.4 Ų84.428%0.2843%0.431SS..Hα-helixtrans-66.4-40.2178.1-171.70000112.7R50 E51 L52 Q57 K58R50-S54 PolarHBondContact O-N 3.32Å; E51-S54 PolarHBondContact O-N 3.03Å; E51-S54 VanDerWaalsContact O-N 3.09Å; L52-S54 VanDerWaalsContact C-N 3.33Å; L52-S54 PolarHBondContact O-N 3.33Å; S54-Q57 PolarHBondContact O-N 3.27Å; S54-K58 WeakPolarHBondContact O-CB 3.06Å; S54-K58 WeakPolarHBondContact O-CG 3.46Å; S54-K58 PolarHBondContact O-N 3.37Å
55V89.6Confident84.5Confident67 Ų6782.1 Ų82.141%0.40643%0.433SS..Hα-helixtrans-63.2-45.4176174.40000110.7F7 E51 L52 K58 R59F7-V55 HydrophobicContact CE1-CG1 4.31Å; F7-V55 HydrophobicContact CE2-CG1 4.34Å; F7-V55 HydrophobicContact CZ-CG1 3.65Å; E51-V55 WeakPolarHBondContact O-CG2 3.47Å; E51-V55 PolarHBondContact O-N 3.49Å; L52-V55 PolarHBondContact O-N 2.91Å; V55-K58 PolarHBondContact O-N 3.42Å; V55-R59 VanDerWaalsContact O-CB 3.22Å; V55-R59 WeakPolarHBondContact O-CB 3.44Å; V55-R59 PolarHBondContact O-N 3.31Å
56L86.9Confident84.2Confident2 Ų275.2 Ų75.21%0.0140%0.397CS..Hα-helixtrans-65.4-41.7178.5-69.6178.2000112L4 F7 L52 A53 R59 F60 L67 L69L4-L56 HydrophobicContact CD1-CD1 3.94Å; L4-L56 HydrophobicContact CD1-CD2 3.36Å; L4-L56 HydrophobicContact CD1-CG 4.3Å; F7-L56 HydrophobicContact CD1-CD2 3.72Å; F7-L56 HydrophobicContact CE1-CD2 3.79Å; F7-L56 HydrophobicContact CE1-CG 4.36Å; L52-L56 WeakPolarHBondContact O-CB 3.16Å; L52-L56 VanDerWaalsContact O-CG 3.27Å; L52-L56 WeakPolarHBondContact O-CG 3.48Å; L52-L56 PolarHBondContact O-N 3.38Å; A53-L56 PolarHBondContact O-N 3.42Å; L56-R59 PolarHBondContact O-N 3.28Å; L56-F60 HydrophobicContact CD2-CD2 3.99Å; L56-F60 HydrophobicContact CD2-CE2 3.62Å; L56-F60 WeakPolarHBondContact O-CB 3.36Å; L56-F60 WeakPolarHBondContact O-CD2 3.33Å; L56-F60 PolarHBondContact O-N 2.99Å; L56-L67 HydrophobicContact CB-CD2 3.52Å; L56-L67 HydrophobicContact CD1-CD2 4.22Å; L56-L69 HydrophobicContact CD1-CD1 4.03Å; L56-L69 HydrophobicContact CD1-CD2 3.82Å
57Q86.6Confident84.1Confident46 Ų4673.3 Ų73.322%0.21538%0.383CS..Hα-helixtrans-58.3-50.4174.7-76.5167.4-4.400111.6A53 S54 G61 F62 L67A53-Q57 WeakPolarHBondContact O-CB 3.41Å; A53-Q57 WeakPolarHBondContact O-CG 3.22Å; A53-Q57 PolarHBondContact O-N 3.26Å; S54-Q57 PolarHBondContact O-N 3.27Å; Q57-G61 WeakPolarHBondContact O-CA 3.31Å; Q57-G61 PolarHBondContact O-N 2.96Å; Q57-F62 HydrophobicContact CG-CB 4.4Å; Q57-F62 PolarHBondContact O-N 2.97Å; Q57-F62 VanDerWaalsContact O-N 3.15Å; Q57-L67 HydrophobicContact CG-CB 4.19Å; Q57-L67 HydrophobicContact CG-CD2 4.14Å
58K86.9Confident83.9Confident171 Ų17169.8 Ų69.874%0.74337%0.37SS*.Hα-helixtrans-66.9-38.8-178.9-72173.8-178.9169.40112.9S54 V55S54-K58 WeakPolarHBondContact O-CB 3.06Å; S54-K58 WeakPolarHBondContact O-CG 3.46Å; S54-K58 PolarHBondContact O-N 3.37Å; V55-K58 PolarHBondContact O-N 3.42Å
59R85.3Confident83.8Confident131 Ų13167.6 Ų67.649%0.49436%0.364SS..Hα-helixtrans-75.2-40.4-176-174.4170.8177.6164.9-0.2112.9E3 F7 V55 L56E3-R59 IonicContact OE1-CZ 3.12Å; E3-R59 IonicContact OE1-NE 2.71Å; E3-R59 PolarHBondContact OE1-NE 3.37Å; E3-R59 IonicContact OE1-NH2 3.94Å; E3-R59 PolarHBondContact OE1-NH2 3.04Å; F7-R59 VanDerWaalsContact CD2-NH1 3.33Å; V55-R59 VanDerWaalsContact O-CB 3.22Å; V55-R59 WeakPolarHBondContact O-CB 3.44Å; V55-R59 PolarHBondContact O-N 3.31Å; L56-R59 PolarHBondContact O-N 3.28Å
60F81.6Confident83.8Confident69 Ų6971.6 Ų71.630%0.30338%0.38SS..Hα-helixtrans-97.1-2.1-177.9-67-73.6000113.6E3 L4 L56 F62E3-F60 HydrophobicContact CB-CE1 4.37Å; E3-F60 HydrophobicContact CB-CZ 4.36Å; E3-F60 HydrophobicContact CG-CE1 4.36Å; E3-F60 HydrophobicContact CG-CZ 4.18Å; L4-F60 HydrophobicContact CB-CZ 4.3Å; L4-F60 HydrophobicContact CD1-CE2 4.1Å; L56-F60 HydrophobicContact CD2-CD2 3.99Å; L56-F60 HydrophobicContact CD2-CE2 3.62Å; L56-F60 WeakPolarHBondContact O-CB 3.36Å; L56-F60 WeakPolarHBondContact O-CD2 3.33Å; L56-F60 PolarHBondContact O-N 2.99Å; F60-F62 HydrophobicContact CB-CD2 3.65Å; F60-F62 HydrophobicContact CB-CE2 3.34Å; F60-F62 HydrophobicContact CB-CZ 4.07Å; F60-F62 HydrophobicContact CD2-CE2 4.22Å; F60-F62 AromaticContact CG-CE2 3.99Å; F60-F62 HydrophobicContact CG-CE2 3.99Å; F60-F62 PolarHBondContact O-N 2.53Å
61G79Confident83.8Confident65 Ų6564.3 Ų64.367%0.6736%0.356SS*.THydrogen-bonded Turntrans69.229.8177.200000113.9Q57Q57-G61 WeakPolarHBondContact O-CA 3.31Å; Q57-G61 PolarHBondContact O-N 2.96Å
62F76.7Confident83.9Confident68 Ų6863.3 Ų63.330%0.29835%0.354SS..PPolyproline II helixtrans-67.4140.5175.6-68.2-69000110.3Q57 F60 L67Q57-F62 HydrophobicContact CG-CB 4.4Å; Q57-F62 PolarHBondContact O-N 2.97Å; Q57-F62 VanDerWaalsContact O-N 3.15Å; F60-F62 HydrophobicContact CB-CD2 3.65Å; F60-F62 HydrophobicContact CB-CE2 3.34Å; F60-F62 HydrophobicContact CB-CZ 4.07Å; F60-F62 HydrophobicContact CD2-CE2 4.22Å; F60-F62 AromaticContact CG-CE2 3.99Å; F60-F62 HydrophobicContact CG-CE2 3.99Å; F60-F62 PolarHBondContact O-N 2.53Å; F62-L67 HydrophobicContact CD2-CB 4.46Å; F62-L67 HydrophobicContact CD2-CD1 4.44Å; F62-L67 HydrophobicContact CD2-CD2 4.29Å; F62-L67 HydrophobicContact CE2-CD1 4.24Å; F62-L67 HydrophobicContact CG-CB 4.48Å
63S74.8Confident83.7Confident83 Ų8369.9 Ų69.958%0.5838%0.382SS*.PPolyproline II helixtrans-65.4152.9171.957.40000110.9C65 A66S63-C65 PolarHBondContact O-N 3.09Å; S63-A66 WeakPolarHBondContact O-CB 3.39Å; S63-A66 PolarHBondContact O-N 2.87Å; S63-A66 VanDerWaalsContact OG-CB 3.29Å; S63-A66 WeakPolarHBondContact OG-CB 3.4Å
64D69.3Low83.4Confident143 Ų14371.1 Ų71.177%0.76539%0.385SS*.THydrogen-bonded Turntrans-50.1130.8175.1-66.6-27.1000110.1A66D64-A66 VanDerWaalsContact C-N 3.29Å; D64-A66 PolarHBondContact O-N 3.36Å
65C68.8Low83Confident123 Ų12376.1 Ų76.183%0.83141%0.407SS*.THydrogen-bonded Turntrans68.64.1-177.2-56.10000117.6S63S63-C65 PolarHBondContact O-N 3.09Å
66A79.4Confident82.3Confident13 Ų1379.2 Ų79.211%0.10742%0.416CS..  trans-79.8-16.7176.600000114.1Y28 T29 S63 D64Y28-A66 CarbonylContact C-O 3.51Å; Y28-A66 VanDerWaalsContact CA-O 3.3Å; Y28-A66 WeakPolarHBondContact CA-O 3.4Å; T29-A66 PolarHBondContact N-O 2.95Å; S63-A66 WeakPolarHBondContact O-CB 3.39Å; S63-A66 PolarHBondContact O-N 2.87Å; S63-A66 VanDerWaalsContact OG-CB 3.29Å; S63-A66 WeakPolarHBondContact OG-CB 3.4Å; D64-A66 VanDerWaalsContact C-N 3.29Å; D64-A66 PolarHBondContact O-N 3.36Å
67L85Confident81.9Confident15 Ų1584.9 Ų84.98%0.07944%0.437CS..EExtended strand (participates in β ladder)trans-107.3118.7-178.2-17770.2000111.4T29 V31 L56 Q57 F62 L69T29-L67 HydrophobicContact CG2-CD1 4.41Å; T29-L67 WeakPolarHBondContact O-CA 3.47Å; V31-L67 HydrophobicContact CG2-CD1 3.81Å; L56-L67 HydrophobicContact CB-CD2 3.52Å; L56-L67 HydrophobicContact CD1-CD2 4.22Å; Q57-L67 HydrophobicContact CG-CB 4.19Å; Q57-L67 HydrophobicContact CG-CD2 4.14Å; F62-L67 HydrophobicContact CD2-CB 4.46Å; F62-L67 HydrophobicContact CD2-CD1 4.44Å; F62-L67 HydrophobicContact CD2-CD2 4.29Å; F62-L67 HydrophobicContact CE2-CD1 4.24Å; F62-L67 HydrophobicContact CG-CB 4.48Å; L67-L69 HydrophobicContact CD1-CD2 4.33Å; L67-L69 HydrophobicContact CD2-CD2 4.21Å; L67-L69 HydrophobicContact CD2-CG 4.49Å; L67-L69 HydrophobicContact CG-CD2 4.21Å
68G86.4Confident81.7Confident23 Ų2382.8 Ų82.824%0.23743%0.428CS..EExtended strand (participates in β ladder)trans-103.4123.6168.400000111.1T29 E30 V31T29-G68 PolarHBondContact O-N 2.87Å; E30-G68 CarbonylContact C-O 3.53Å; E30-G68 WeakPolarHBondContact CA-O 3.41Å; V31-G68 PolarHBondContact N-O 2.71Å
69L88.2Confident81.6Confident23 Ų2378.4 Ų78.412%0.1241%0.412CS..EExtended strand (participates in β ladder)trans-103127.4172.3-64.5-170.9000110.3V31 I49 L52 A53 L56 L67V31-L69 HydrophobicContact CB-CD2 3.65Å; V31-L69 HydrophobicContact CG1-CD2 4.28Å; V31-L69 HydrophobicContact CG2-CD2 4.2Å; V31-L69 WeakPolarHBondContact O-CA 3.49Å; I49-L69 HydrophobicContact CD1-CB 4.1Å; I49-L69 HydrophobicContact CG1-CB 4Å; I49-L69 HydrophobicContact CG1-CD1 4.28Å; L52-L69 HydrophobicContact CB-CD1 4.1Å; A53-L69 HydrophobicContact CB-CD1 3.74Å; A53-L69 HydrophobicContact CB-CG 4.15Å; L56-L69 HydrophobicContact CD1-CD1 4.03Å; L56-L69 HydrophobicContact CD1-CD2 3.82Å; L67-L69 HydrophobicContact CD1-CD2 4.33Å; L67-L69 HydrophobicContact CD2-CD2 4.21Å; L67-L69 HydrophobicContact CD2-CG 4.49Å; L67-L69 HydrophobicContact CG-CD2 4.21Å
70F89.3Confident81.5Confident105 Ų10572.4 Ų72.446%0.46139%0.39SS..EExtended strand (participates in β ladder)trans-123.4149.7174.9-62.4-80.6000110E30 V31 I32 I33E30-F70 HydrophobicContact CB-CD2 4.31Å; E30-F70 HydrophobicContact CB-CE2 4.21Å; E30-F70 HydrophobicContact CG-CE2 4.21Å; V31-F70 PolarHBondContact O-N 3.43Å; I32-F70 WeakPolarHBondContact CA-O 3.26Å; I32-F70 HydrophobicContact CG1-CB 4.33Å; I33-F70 PolarHBondContact N-O 3.42Å
71V91Very high81.8Confident26 Ų2670.9 Ų70.916%0.15839%0.39CS..EExtended strand (participates in β ladder)trans-123.3117.9179.4-178.30000108.6I33 T38 V41 L42 I49I33-V71 WeakPolarHBondContact O-CA 3.38Å; T38-V71 HydrophobicContact CG2-CG1 3.81Å; V41-V71 HydrophobicContact CB-CG1 4.22Å; V41-V71 HydrophobicContact CB-CG2 4.37Å; V41-V71 HydrophobicContact CG1-CG1 4.28Å; V41-V71 HydrophobicContact CG1-CG2 3.7Å; L42-V71 HydrophobicContact CD2-CG2 4.4Å; I49-V71 HydrophobicContact CD1-CG2 3.76Å
72D90.4Very high82.2Confident86 Ų8669.9 Ų69.946%0.4637%0.369SS..EExtended strand (participates in β ladder)trans-109.1142.5176.2-88.7-18.4000110.6I32 I33 L34 A35 M74I32-D72 HydrophobicContact CG2-CB 4.05Å; I32-D72 WeakPolarHBondContact CG2-OD2 3.49Å; I33-D72 PolarHBondContact O-N 2.91Å; L34-D72 HydrophobicContact CD2-CB 3.66Å; A35-D72 PolarHBondContact N-O 2.71Å; A35-D72 VanDerWaalsContact N-O 3.14Å; D72-M74 PolarHBondContact O-N 3.01Å
73K86.7Confident82.6Confident152 Ų15267.1 Ų67.166%0.66136%0.359SS*.EExtended strand (participates in β ladder)trans-77125.4178.1-173.8177.1179.5-179.70109.8T38 I75T38-K73 HydrophobicContact CG2-CB 3.7Å; T38-K73 HydrophobicContact CG2-CG 4.25Å; K73-I75 PolarHBondContact O-N 3.24Å
74M82.2Confident83.3Confident43 Ų4363.7 Ų63.721%0.21233%0.334CS..  trans-66.7120.1172.1-171.8172.7-137.900110.9S18 A35 D72 S80S18-M74 VanDerWaalsContact CB-SD 3.52Å; S18-M74 PolarHBondContact OG-SD 3.21Å; A35-M74 PolarHBondContact O-N 3.39Å; D72-M74 PolarHBondContact O-N 3.01Å; M74-S80 VanDerWaalsContact CE-CB 3.47Å
75I77.9Confident84.3Confident145 Ų14559.7 Ų59.774%0.74432%0.321SS*.SBendtrans-70.7-41.4-179.4-55.6174.3000110.7K73K73-I75 PolarHBondContact O-N 3.24Å
76F76.5Confident85.2Confident132 Ų13254.3 Ų54.358%0.57928%0.283SS*.  trans-120.666.2-173-59.9-71.7000113.2G78 L79F76-G78 PolarHBondContact O-N 2.8Å; F76-L79 HydrophobicContact CB-CB 4.2Å; F76-L79 HydrophobicContact CB-CD1 3.94Å; F76-L79 HydrophobicContact CB-CG 4.17Å; F76-L79 HydrophobicContact CD1-CD1 4.45Å; F76-L79 HydrophobicContact CG-CD1 4.19Å; F76-L79 PolarHBondContact O-N 3.24Å
77R78.3Confident85.6Confident120 Ų12055.2 Ų55.245%0.45329%0.289SS..THydrogen-bonded Turntrans-51.7-29.6174.360.9172.4-94.2-171.5-8.3114.2T36 L79 Q84 F108T36-R77 HydrophobicContact CG2-CB 4.41Å; R77-L79 VanDerWaalsContact C-N 3.3Å; R77-Q84 PolarHBondContact O-NE2 3.45Å; R77-F108 HydrophobicContact CG-CZ 4.4Å
78G81.2Confident85.9Confident3 Ų355.4 Ų55.43%0.03129%0.29CS..THydrogen-bonded Turntrans-73.7-22-178.200000113.7F76 I109F76-G78 PolarHBondContact O-N 2.8Å; G78-I109 WeakPolarHBondContact O-CG2 3.38Å
79L85Confident86.2Confident79 Ų7959 Ų5941%0.41430%0.296SS..THydrogen-bonded Turntrans-96.9-12.6-177.9-62.4178.9000113F76 R77 A114F76-L79 HydrophobicContact CB-CB 4.2Å; F76-L79 HydrophobicContact CB-CD1 3.94Å; F76-L79 HydrophobicContact CB-CG 4.17Å; F76-L79 HydrophobicContact CD1-CD1 4.45Å; F76-L79 HydrophobicContact CG-CD1 4.19Å; F76-L79 PolarHBondContact O-N 3.24Å; R77-L79 VanDerWaalsContact C-N 3.3Å; L79-A114 HydrophobicContact CD2-CB 3.91Å
80S84.5Confident86.2Confident5 Ų562.2 Ų62.24%0.03531%0.308CS..  trans-80.9121.1177.1-176.70000111.9M74 I82 Q84 D152M74-S80 VanDerWaalsContact CE-CB 3.47Å; S80-I82 VanDerWaalsContact C-N 3.34Å; S80-I82 PolarHBondContact O-N 2.87Å; S80-Q84 VanDerWaalsContact O-CG 3.27Å; S80-Q84 WeakPolarHBondContact O-CG 3.49Å; S80-Q84 PolarHBondContact O-N 3.41Å; S80-D152 WeakPolarHBondContact CA-OD2 3.39Å
81A87.8Confident86.4Confident37 Ų3760.1 Ų60.131%0.30630%0.298SS..Hα-helixtrans-63.8-40.7179.200000112.2Q84 A85 D152A81-Q84 PolarHBondContact O-N 3.04Å; A81-A85 WeakPolarHBondContact O-CB 3.27Å; A81-A85 PolarHBondContact O-N 3.05Å; A81-D152 VanDerWaalsContact CB-C 3.43Å; A81-D152 HydrophobicContact CB-CB 4.35Å; A81-D152 VanDerWaalsContact CB-O 3.26Å; A81-D152 WeakPolarHBondContact CB-O 3.39Å; A81-D152 WeakPolarHBondContact CB-OXT 3.44Å; A81-D152 PolarHBondContact N-OD2 3.34Å
82I86.3Confident86.4Confident43 Ų4361.5 Ų61.522%0.22131%0.305CS..Hα-helixtrans-62-51.9-179.8-64.1170.4000110.4S18 S80 Q84 A85 E86S18-I82 WeakPolarHBondContact O-CD1 3.16Å; S80-I82 VanDerWaalsContact C-N 3.34Å; S80-I82 PolarHBondContact O-N 2.87Å; I82-Q84 PolarHBondContact O-N 3.27Å; I82-A85 WeakPolarHBondContact O-CB 3.48Å; I82-A85 PolarHBondContact O-N 2.87Å; I82-A85 VanDerWaalsContact O-N 3.13Å; I82-E86 WeakPolarHBondContact O-CG 3.18Å; I82-E86 PolarHBondContact O-N 3.41Å
83A85.4Confident86.5Confident10 Ų1063 Ų638%0.08332%0.317CS..Hα-helixtrans-59.3-37.4-179.800000112.4S87A83-S87 PolarHBondContact O-N 3.43Å
84Q89.2Confident86.7Confident11 Ų1165.7 Ų65.75%0.05132%0.324CS..Hα-helixtrans-73.8-36.9177.7-63.3-56.2-43.500112.5R77 S80 A81 I82 E86 S87 L88 I105 I109R77-Q84 PolarHBondContact O-NE2 3.45Å; S80-Q84 VanDerWaalsContact O-CG 3.27Å; S80-Q84 WeakPolarHBondContact O-CG 3.49Å; S80-Q84 PolarHBondContact O-N 3.41Å; A81-Q84 PolarHBondContact O-N 3.04Å; I82-Q84 PolarHBondContact O-N 3.27Å; Q84-E86 VanDerWaalsContact C-N 3.32Å; Q84-S87 WeakPolarHBondContact O-CB 3.45Å; Q84-S87 PolarHBondContact O-N 3.49Å; Q84-L88 PolarHBondContact O-N 3.14Å; Q84-I105 HydrophobicContact CB-CG2 4.18Å; Q84-I109 HydrophobicContact CB-CD1 3.95Å; Q84-I109 HydrophobicContact CB-CG1 4.46Å; Q84-I109 HydrophobicContact CG-CD1 3.77Å; Q84-I109 HydrophobicContact CG-CG1 3.76Å
85A90.4Very high87.1Confident60 Ų6066.6 Ų66.650%0.49634%0.344SS..Hα-helixtrans-62.6-40.5173.300000111.3A81 I82 L88 R89A81-A85 WeakPolarHBondContact O-CB 3.27Å; A81-A85 PolarHBondContact O-N 3.05Å; I82-A85 WeakPolarHBondContact O-CB 3.48Å; I82-A85 PolarHBondContact O-N 2.87Å; I82-A85 VanDerWaalsContact O-N 3.13Å; A85-L88 WeakPolarHBondContact O-CB 3.26Å; A85-L88 PolarHBondContact O-N 3.18Å; A85-R89 PolarHBondContact O-N 3.2Å
86E87.4Confident87.8Confident9 Ų962.5 Ų62.54%0.04232%0.324CS..Hα-helixtrans-66.2-43.4173.8-64.7-157.9125.200111.8A13 I82 Q84 L88 R89 Y90A13-E86 WeakPolarHBondContact CA-OE1 3.28Å; A13-E86 WeakPolarHBondContact CB-OE1 3.34Å; I82-E86 WeakPolarHBondContact O-CG 3.18Å; I82-E86 PolarHBondContact O-N 3.41Å; Q84-E86 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 2.94Å; E86-R89 VanDerWaalsContact O-CB 3.31Å; E86-R89 WeakPolarHBondContact O-CB 3.41Å; E86-R89 PolarHBondContact O-N 2.98Å; E86-R89 VanDerWaalsContact O-N 3.09Å; E86-R89 IonicContact OE1-CZ 2.66Å; E86-R89 IonicContact OE1-NH1 3.2Å; E86-R89 PolarHBondContact OE1-NH1 3.14Å; E86-R89 IonicContact OE1-NH2 3.39Å; E86-R89 PolarHBondContact OE1-NH2 3.21Å; E86-Y90 HydrophobicContact CB-CE2 4.42Å; E86-Y90 WeakPolarHBondContact O-CD2 3.27Å; E86-Y90 PolarHBondContact O-N 3.19Å
87S88.7Confident88.6Confident33 Ų3360.4 Ų60.423%0.23132%0.323CS..Hα-helixtrans-57.6-38172.9-167.90000112A83 Q84 K91A83-S87 PolarHBondContact O-N 3.43Å; Q84-S87 WeakPolarHBondContact O-CB 3.45Å; Q84-S87 PolarHBondContact O-N 3.49Å; S87-K91 WeakPolarHBondContact O-CG 3.42Å; S87-K91 PolarHBondContact O-N 2.94Å; S87-K91 VanDerWaalsContact O-N 3.13Å
88L92.2Very high89.3Confident18 Ų1856.4 Ų56.49%0.09431%0.312CS..Hα-helixtrans-65.8-45.1175.1-172.858.7000111.1Q84 A85 E86 Y90 K91 L92 A101 I105 V119 V121Q84-L88 PolarHBondContact O-N 3.14Å; A85-L88 WeakPolarHBondContact O-CB 3.26Å; A85-L88 PolarHBondContact O-N 3.18Å; E86-L88 PolarHBondContact O-N 2.94Å; L88-Y90 PolarHBondContact O-N 2.73Å; L88-K91 PolarHBondContact O-N 3.48Å; L88-L92 HydrophobicContact CD1-CD1 4.23Å; L88-L92 HydrophobicContact CD1-CG 4.22Å; L88-L92 HydrophobicContact CG-CD1 3.99Å; L88-L92 HydrophobicContact CG-CG 4.37Å; L88-L92 VanDerWaalsContact O-CG 3.31Å; L88-L92 WeakPolarHBondContact O-CG 3.4Å; L88-L92 PolarHBondContact O-N 3.19Å; L88-A101 HydrophobicContact CD1-CB 3.85Å; L88-I105 HydrophobicContact CB-CD1 3.37Å; L88-I105 HydrophobicContact CD1-CD1 3.73Å; L88-I105 HydrophobicContact CG-CD1 4.07Å; L88-I105 VanDerWaalsContact N-CD1 3.34Å; L88-V119 HydrophobicContact CD2-CG1 3.61Å; L88-V121 HydrophobicContact CD2-CG2 4.05Å
89R90.9Very high89.8Confident98 Ų9864 Ų6437%0.3734%0.34SS..Hα-helixtrans-52.6-52.7174.5-177.1-173.672.8-139.7-2.2110.5A85 E86 K91 L92 T93A85-R89 PolarHBondContact O-N 3.2Å; E86-R89 VanDerWaalsContact O-CB 3.31Å; E86-R89 WeakPolarHBondContact O-CB 3.41Å; E86-R89 PolarHBondContact O-N 2.98Å; E86-R89 VanDerWaalsContact O-N 3.09Å; E86-R89 IonicContact OE1-CZ 2.66Å; E86-R89 IonicContact OE1-NH1 3.2Å; E86-R89 PolarHBondContact OE1-NH1 3.14Å; E86-R89 IonicContact OE1-NH2 3.39Å; E86-R89 PolarHBondContact OE1-NH2 3.21Å; R89-K91 PolarHBondContact O-N 3.1Å; R89-L92 PolarHBondContact O-N 2.98Å; R89-T93 PolarHBondContact O-N 3.18Å; R89-T93 PolarHBondContact O-OG1 2.78Å
90Y89.9Confident90.2Very high92 Ų9267.3 Ų67.336%0.36135%0.351SS..Hα-helixtrans-58.4-45.5179-74.3-68.6000112.9A13 D14 E86 L88 L92 T93 Y94A13-Y90 VanDerWaalsContact C-OH 3.24Å; A13-Y90 PolarHBondContact O-OH 3.31Å; A13-Y90 VanDerWaalsContact O-OH 3.06Å; D14-Y90 VanDerWaalsContact CA-OH 3.24Å; D14-Y90 WeakPolarHBondContact CA-OH 3.43Å; D14-Y90 PolarHBondContact N-OH 3.34Å; D14-Y90 WeakPolarHBondContact OD1-CE1 3.43Å; D14-Y90 VanDerWaalsContact OD1-CZ 3.22Å; D14-Y90 PolarHBondContact OD1-OH 3.39Å; E86-Y90 HydrophobicContact CB-CE2 4.42Å; E86-Y90 WeakPolarHBondContact O-CD2 3.27Å; E86-Y90 PolarHBondContact O-N 3.19Å; L88-Y90 PolarHBondContact O-N 2.73Å; Y90-L92 VanDerWaalsContact C-N 3.33Å; Y90-L92 PolarHBondContact O-N 3.06Å; Y90-T93 PolarHBondContact O-N 2.47Å; Y90-Y94 WeakPolarHBondContact O-CB 3.14Å; Y90-Y94 PolarHBondContact O-N 3.3Å
91K92.1Very high90.7Very high60 Ų6067.1 Ų67.126%0.26135%0.35SS..Hα-helixtrans-62.4-40.2179.1-72.3172.5-172.9169.80112S87 L88 R89 L96 A101 I105S87-K91 WeakPolarHBondContact O-CG 3.42Å; S87-K91 PolarHBondContact O-N 2.94Å; S87-K91 VanDerWaalsContact O-N 3.13Å; L88-K91 PolarHBondContact O-N 3.48Å; R89-K91 PolarHBondContact O-N 3.1Å; K91-L96 HydrophobicContact CB-CD2 4.3Å; K91-L96 HydrophobicContact CG-CD2 4.34Å; K91-L96 WeakPolarHBondContact O-CB 3.43Å; K91-L96 PolarHBondContact O-N 2.98Å; K91-L96 VanDerWaalsContact O-N 3.09Å; K91-A101 HydrophobicContact CB-CB 3.93Å; K91-A101 HydrophobicContact CD-CB 4.46Å; K91-I105 HydrophobicContact CD-CD1 4.16Å; K91-I105 HydrophobicContact CD-CG1 4.31Å; K91-I105 VanDerWaalsContact NZ-CG1 3.28Å
92L91.6Very high91Very high56 Ų5665.3 Ų65.329%0.29334%0.335SS..Hα-helixtrans-70.5-42.4178.9-67.5176.5000111.9L88 R89 Y90 Y94 G95 V98 A101L88-L92 HydrophobicContact CD1-CD1 4.23Å; L88-L92 HydrophobicContact CD1-CG 4.22Å; L88-L92 HydrophobicContact CG-CD1 3.99Å; L88-L92 HydrophobicContact CG-CG 4.37Å; L88-L92 VanDerWaalsContact O-CG 3.31Å; L88-L92 WeakPolarHBondContact O-CG 3.4Å; L88-L92 PolarHBondContact O-N 3.19Å; R89-L92 PolarHBondContact O-N 2.98Å; Y90-L92 VanDerWaalsContact C-N 3.33Å; Y90-L92 PolarHBondContact O-N 3.06Å; L92-Y94 VanDerWaalsContact C-N 3.26Å; L92-Y94 PolarHBondContact O-N 3.29Å; L92-G95 PolarHBondContact O-N 3.02Å; L92-V98 HydrophobicContact CD2-CB 4.31Å; L92-V98 HydrophobicContact CD2-CG2 3.97Å; L92-A101 HydrophobicContact CD2-CB 4.09Å
93T91.3Very high91.4Very high118 Ų11870 Ų7072%0.72435%0.351SS*.Hα-helixtrans-62.9-34.3175.8-55.50000111.9R89 Y90 G95R89-T93 PolarHBondContact O-N 3.18Å; R89-T93 PolarHBondContact O-OG1 2.78Å; Y90-T93 PolarHBondContact O-N 2.47Å; T93-G95 PolarHBondContact O-N 3.3Å
94Y91.9Very high91.8Very high208 Ų20871.2 Ų71.282%0.81636%0.364SS*.THydrogen-bonded Turntrans-73.91.8175.4-150.8-94.4000113.7Y90 L92 L96Y90-Y94 WeakPolarHBondContact O-CB 3.14Å; Y90-Y94 PolarHBondContact O-N 3.3Å; L92-Y94 VanDerWaalsContact C-N 3.26Å; L92-Y94 PolarHBondContact O-N 3.29Å; Y94-L96 HydrophobicContact CD1-CD1 4.03Å
95G90.7Very high92Very high61 Ų6170.8 Ų70.863%0.62936%0.362SS*.THydrogen-bonded Turntrans81.415.717700000114.8L92 T93L92-G95 PolarHBondContact O-N 3.02Å; T93-G95 PolarHBondContact O-N 3.3Å
96L92.7Very high92.1Very high60 Ų6068.1 Ų68.131%0.31434%0.34SS..  trans-65.9137.7171.6-83.472000109.9K91 Y94 V98 A101K91-L96 HydrophobicContact CB-CD2 4.3Å; K91-L96 HydrophobicContact CG-CD2 4.34Å; K91-L96 WeakPolarHBondContact O-CB 3.43Å; K91-L96 PolarHBondContact O-N 2.98Å; K91-L96 VanDerWaalsContact O-N 3.09Å; Y94-L96 HydrophobicContact CD1-CD1 4.03Å; L96-V98 PolarHBondContact O-N 2.94Å; L96-A101 HydrophobicContact CB-CB 4.34Å
97P93Very high92.3Very high87 Ų8775.8 Ų75.857%0.56537%0.368SS*.  trans-56.2133.2174.4-25.233.5000111.7R99 K100 A101P97-R99 VanDerWaalsContact C-N 3.27Å; P97-R99 PolarHBondContact O-N 2.88Å; P97-R99 VanDerWaalsContact O-N 3.11Å; P97-K100 HydrophobicContact CB-CB 4.35Å; P97-K100 WeakPolarHBondContact O-CA 3.05Å; P97-K100 WeakPolarHBondContact O-CB 3.36Å; P97-K100 PolarHBondContact O-N 3.22Å; P97-A101 PolarHBondContact O-N 2.95Å
98V92.5Very high92.5Very high36 Ų3677.1 Ų77.122%0.21837%0.37CS..Hα-helixtrans-47.2-47.5-174.5-179.60000112.6L92 L96 K100 A101 C102 V121 I125 F135L92-V98 HydrophobicContact CD2-CB 4.31Å; L92-V98 HydrophobicContact CD2-CG2 3.97Å; L96-V98 PolarHBondContact O-N 2.94Å; V98-K100 PolarHBondContact O-N 3.45Å; V98-A101 PolarHBondContact O-N 3.13Å; V98-C102 WeakPolarHBondContact O-CB 3.24Å; V98-C102 PolarHBondContact O-N 2.86Å; V98-C102 PolarHBondContact O-SG 3.25Å; V98-V121 HydrophobicContact CG1-CB 4.19Å; V98-V121 HydrophobicContact CG1-CG1 3.99Å; V98-V121 HydrophobicContact CG1-CG2 4.25Å; V98-I125 HydrophobicContact CG2-CG2 4.49Å; V98-F135 HydrophobicContact CG1-CE2 4.36Å; V98-F135 HydrophobicContact CG1-CZ 4.48Å
99R92.6Very high92.5Very high162 Ų16277.1 Ų77.161%0.61137%0.37SS*.Hα-helixtrans-59.8-45.9178.5-69.1-174175.6-173.5-2.7112P97 C102 Y103 M133 F135P97-R99 VanDerWaalsContact C-N 3.27Å; P97-R99 PolarHBondContact O-N 2.88Å; P97-R99 VanDerWaalsContact O-N 3.11Å; R99-C102 PolarHBondContact O-N 3.34Å; R99-Y103 HydrophobicContact CB-CD2 4.3Å; R99-Y103 HydrophobicContact CB-CE2 4.17Å; R99-Y103 WeakPolarHBondContact O-CB 3.43Å; R99-Y103 WeakPolarHBondContact O-CD2 3.28Å; R99-Y103 PolarHBondContact O-N 2.84Å; R99-M133 HydrophobicContact CG-CE 4.07Å; R99-F135 HydrophobicContact CB-CE1 4.49Å; R99-F135 HydrophobicContact CG-CE1 4.11Å; R99-F135 HydrophobicContact CG-CZ 4.09Å
100K94.1Very high92.6Very high149 Ų14975 Ų7565%0.64837%0.366SS*.Hα-helixtrans-65.4-42.1-179.1-171175.3-177.6179.80111.1P97 V98 G104P97-K100 HydrophobicContact CB-CB 4.35Å; P97-K100 WeakPolarHBondContact O-CA 3.05Å; P97-K100 WeakPolarHBondContact O-CB 3.36Å; P97-K100 PolarHBondContact O-N 3.22Å; V98-K100 PolarHBondContact O-N 3.45Å; K100-G104 PolarHBondContact O-N 3.07Å; K100-G104 VanDerWaalsContact O-N 3.1Å
101A94.4Very high92.7Very high1 Ų176.5 Ų76.51%0.00838%0.376CS..Hα-helixtrans-63.3-47.2176.900000112L88 K91 L92 L96 P97 V98 G104 I105L88-A101 HydrophobicContact CD1-CB 3.85Å; K91-A101 HydrophobicContact CB-CB 3.93Å; K91-A101 HydrophobicContact CD-CB 4.46Å; L92-A101 HydrophobicContact CD2-CB 4.09Å; L96-A101 HydrophobicContact CB-CB 4.34Å; P97-A101 PolarHBondContact O-N 2.95Å; V98-A101 PolarHBondContact O-N 3.13Å; A101-G104 PolarHBondContact O-N 2.66Å; A101-I105 PolarHBondContact O-N 3.24Å
102C94.6Very high92.6Very high0 Ų075.7 Ų75.70%038%0.378CS..Hα-helixtrans-65.8-46.9-179.5-640000112.3V98 R99 G104 I105 L106 V121 F135V98-C102 WeakPolarHBondContact O-CB 3.24Å; V98-C102 PolarHBondContact O-N 2.86Å; V98-C102 PolarHBondContact O-SG 3.25Å; R99-C102 PolarHBondContact O-N 3.34Å; C102-G104 VanDerWaalsContact C-N 3.3Å; C102-G104 PolarHBondContact O-N 3.39Å; C102-I105 PolarHBondContact O-N 3.13Å; C102-L106 WeakPolarHBondContact O-CG 3.34Å; C102-L106 PolarHBondContact O-N 3.41Å; C102-V121 VanDerWaalsContact SG-CG2 3.55Å; C102-F135 HydrophobicContact CB-CB 4.49Å; C102-F135 HydrophobicContact CB-CD1 4.17Å; C102-F135 HydrophobicContact CB-CD2 3.66Å; C102-F135 HydrophobicContact CB-CE1 4.26Å; C102-F135 HydrophobicContact CB-CE2 3.77Å; C102-F135 HydrophobicContact CB-CG 3.87Å; C102-F135 HydrophobicContact CB-CZ 4.06Å; C102-F135 VanDerWaalsContact SG-CE2 3.51Å
103Y94.8Very high92.5Very high141 Ų14175.9 Ų75.955%0.55339%0.393SS*.Hα-helixtrans-63.5-36.5178.1-73.7-53.8000112.6R99 I105 L106 R107 F135R99-Y103 HydrophobicContact CB-CD2 4.3Å; R99-Y103 HydrophobicContact CB-CE2 4.17Å; R99-Y103 WeakPolarHBondContact O-CB 3.43Å; R99-Y103 WeakPolarHBondContact O-CD2 3.28Å; R99-Y103 PolarHBondContact O-N 2.84Å; Y103-I105 VanDerWaalsContact C-N 3.32Å; Y103-I105 PolarHBondContact O-N 2.99Å; Y103-L106 HydrophobicContact CD1-CD1 4.31Å; Y103-R107 WeakPolarHBondContact O-CB 3.37Å; Y103-R107 PolarHBondContact O-N 3.43Å; Y103-F135 HydrophobicContact CE1-CD1 4.11Å; Y103-F135 HydrophobicContact CE2-CE1 4.29Å
104G92.8Very high92.4Very high35 Ų3571.4 Ų71.436%0.36137%0.368SS..Hα-helixtrans-63.3-37.4175.400000112.9K100 A101 C102 F108K100-G104 PolarHBondContact O-N 3.07Å; K100-G104 VanDerWaalsContact O-N 3.1Å; A101-G104 PolarHBondContact O-N 2.66Å; C102-G104 VanDerWaalsContact C-N 3.3Å; C102-G104 PolarHBondContact O-N 3.39Å; G104-F108 WeakPolarHBondContact O-CB 3.46Å; G104-F108 PolarHBondContact O-N 3.19Å
105I92.6Very high92.4Very high2 Ų269.8 Ų69.81%0.0136%0.36CS..Hα-helixtrans-75.7-45.1177.5-70.6178.7000111.4Q84 L88 K91 A101 C102 Y103 R107 F108 I109Q84-I105 HydrophobicContact CB-CG2 4.18Å; L88-I105 HydrophobicContact CB-CD1 3.37Å; L88-I105 HydrophobicContact CD1-CD1 3.73Å; L88-I105 HydrophobicContact CG-CD1 4.07Å; L88-I105 VanDerWaalsContact N-CD1 3.34Å; K91-I105 HydrophobicContact CD-CD1 4.16Å; K91-I105 HydrophobicContact CD-CG1 4.31Å; K91-I105 VanDerWaalsContact NZ-CG1 3.28Å; A101-I105 PolarHBondContact O-N 3.24Å; C102-I105 PolarHBondContact O-N 3.13Å; Y103-I105 VanDerWaalsContact C-N 3.32Å; Y103-I105 PolarHBondContact O-N 2.99Å; I105-R107 VanDerWaalsContact C-N 3.25Å; I105-R107 PolarHBondContact O-N 2.89Å; I105-F108 PolarHBondContact O-N 3.4Å; I105-F108 VanDerWaalsContact O-N 3.1Å; I105-I109 HydrophobicContact CG2-CD1 3.48Å; I105-I109 VanDerWaalsContact CG2-CD1 3.48Å; I105-I109 HydrophobicContact CG2-CG1 4.16Å; I105-I109 VanDerWaalsContact O-CG1 3.28Å; I105-I109 WeakPolarHBondContact O-CG1 3.5Å; I105-I109 PolarHBondContact O-N 3.1Å
106L93Very high92.4Very high5 Ų568.1 Ų68.13%0.02634%0.343CS..Hα-helixtrans-53.7-45.5175.1-78.8176.3000111.9C102 Y103 I109 I110 V117 V119 F135C102-L106 WeakPolarHBondContact O-CG 3.34Å; C102-L106 PolarHBondContact O-N 3.41Å; Y103-L106 HydrophobicContact CD1-CD1 4.31Å; L106-I109 PolarHBondContact O-N 3.43Å; L106-I110 WeakPolarHBondContact O-CG1 3.43Å; L106-I110 PolarHBondContact O-N 2.96Å; L106-I110 VanDerWaalsContact O-N 3.14Å; L106-V117 HydrophobicContact CD2-CB 3.69Å; L106-V117 HydrophobicContact CD2-CG1 3.58Å; L106-V119 HydrophobicContact CD2-CG2 3.89Å; L106-V119 HydrophobicContact CG-CG2 4.22Å; L106-F135 HydrophobicContact CD1-CB 3.54Å
107R92.8Very high92.4Very high169 Ų16966 Ų6664%0.63833%0.333SS*.Hα-helixtrans-61.8-47.6176.9-177.9174.6176.1175.30.2111.5Y103 I105 I109 I110 E111Y103-R107 WeakPolarHBondContact O-CB 3.37Å; Y103-R107 PolarHBondContact O-N 3.43Å; I105-R107 VanDerWaalsContact C-N 3.25Å; I105-R107 PolarHBondContact O-N 2.89Å; R107-I109 VanDerWaalsContact C-N 3.32Å; R107-I109 PolarHBondContact O-N 3.46Å; R107-I110 PolarHBondContact O-N 3.2Å; R107-E111 HydrophobicContact CG-CG 4.31Å; R107-E111 WeakPolarHBondContact CG-OE1 3.35Å; R107-E111 IonicContact CZ-OE1 3.68Å; R107-E111 IonicContact NE-OE1 3.64Å; R107-E111 PolarHBondContact NE-OE1 3.23Å; R107-E111 IonicContact NH2-OE1 3.47Å; R107-E111 PolarHBondContact NH2-OE1 3.02Å; R107-E111 WeakPolarHBondContact O-CB 3.44Å; R107-E111 WeakPolarHBondContact O-CG 3.48Å; R107-E111 PolarHBondContact O-N 3.44Å
108F92.3Very high92.3Very high61 Ų6164.1 Ų64.127%0.26833%0.329SS..Hα-helixtrans-60-40.9180-176.8-103000112.8R77 G104 I105 S112R77-F108 HydrophobicContact CG-CZ 4.4Å; G104-F108 WeakPolarHBondContact O-CB 3.46Å; G104-F108 PolarHBondContact O-N 3.19Å; I105-F108 PolarHBondContact O-N 3.4Å; I105-F108 VanDerWaalsContact O-N 3.1Å; F108-S112 WeakPolarHBondContact O-CB 3.29Å; F108-S112 PolarHBondContact O-N 3.09Å; F108-S112 PolarHBondContact O-OG 3.27Å
109I92.7Very high92.4Very high18 Ų1863.2 Ų63.29%0.09232%0.323CS..Hα-helixtrans-69.7-41.2-179.1-63167.1000111G78 Q84 I105 L106 R107 S112 G113 A114 V117G78-I109 WeakPolarHBondContact O-CG2 3.38Å; Q84-I109 HydrophobicContact CB-CD1 3.95Å; Q84-I109 HydrophobicContact CB-CG1 4.46Å; Q84-I109 HydrophobicContact CG-CD1 3.77Å; Q84-I109 HydrophobicContact CG-CG1 3.76Å; I105-I109 HydrophobicContact CG2-CD1 3.48Å; I105-I109 VanDerWaalsContact CG2-CD1 3.48Å; I105-I109 HydrophobicContact CG2-CG1 4.16Å; I105-I109 VanDerWaalsContact O-CG1 3.28Å; I105-I109 WeakPolarHBondContact O-CG1 3.5Å; I105-I109 PolarHBondContact O-N 3.1Å; L106-I109 PolarHBondContact O-N 3.43Å; R107-I109 VanDerWaalsContact C-N 3.32Å; R107-I109 PolarHBondContact O-N 3.46Å; I109-S112 WeakPolarHBondContact O-CB 3.39Å; I109-S112 PolarHBondContact O-N 2.91Å; I109-G113 PolarHBondContact O-N 3.25Å; I109-A114 HydrophobicContact CG2-CB 3.53Å; I109-A114 WeakPolarHBondContact O-CB 3.47Å; I109-A114 PolarHBondContact O-N 2.81Å; I109-V117 HydrophobicContact CB-CG1 4.3Å; I109-V117 HydrophobicContact CB-CG2 3.79Å; I109-V117 HydrophobicContact CD1-CG1 3.61Å; I109-V117 HydrophobicContact CG2-CB 4.32Å; I109-V117 HydrophobicContact CG2-CG1 4.08Å; I109-V117 HydrophobicContact CG2-CG2 3.23Å
110I92Very high92.4Very high55 Ų5560.8 Ų60.828%0.28232%0.321SS..Hα-helixtrans-67.2-43.5176.3-71170.9000111.3L106 R107 S112 G113 V117 N137L106-I110 WeakPolarHBondContact O-CG1 3.43Å; L106-I110 PolarHBondContact O-N 2.96Å; L106-I110 VanDerWaalsContact O-N 3.14Å; R107-I110 PolarHBondContact O-N 3.2Å; I110-S112 PolarHBondContact O-N 2.97Å; I110-G113 PolarHBondContact O-N 2.83Å; I110-V117 HydrophobicContact CG1-CG2 4.01Å; I110-N137 HydrophobicContact CD1-CB 3.51Å; I110-N137 WeakPolarHBondContact CD1-ND2 3.16Å
111E91.7Very high92.4Very high123 Ų12354.6 Ų54.658%0.57530%0.296SS*.Hα-helixtrans-62.2-25.1174.3-73.7174.6173.300112R107 G113R107-E111 HydrophobicContact CG-CG 4.31Å; R107-E111 WeakPolarHBondContact CG-OE1 3.35Å; R107-E111 IonicContact CZ-OE1 3.68Å; R107-E111 IonicContact NE-OE1 3.64Å; R107-E111 PolarHBondContact NE-OE1 3.23Å; R107-E111 IonicContact NH2-OE1 3.47Å; R107-E111 PolarHBondContact NH2-OE1 3.02Å; R107-E111 WeakPolarHBondContact O-CB 3.44Å; R107-E111 WeakPolarHBondContact O-CG 3.48Å; R107-E111 PolarHBondContact O-N 3.44Å; E111-G113 PolarHBondContact O-N 2.95Å
112S90.2Very high92.3Very high43 Ų4358.6 Ų58.630%0.30132%0.324SS..THydrogen-bonded Turntrans-79.2-0.3173.2-57.40000113.9F108 I109 I110F108-S112 WeakPolarHBondContact O-CB 3.29Å; F108-S112 PolarHBondContact O-N 3.09Å; F108-S112 PolarHBondContact O-OG 3.27Å; I109-S112 WeakPolarHBondContact O-CB 3.39Å; I109-S112 PolarHBondContact O-N 2.91Å; I110-S112 PolarHBondContact O-N 2.97Å
113G89.9Confident92.2Very high60 Ų6060 Ų6062%0.61934%0.339SS*.THydrogen-bonded Turntrans99.311174.300000115.8I109 I110 E111I109-G113 PolarHBondContact O-N 3.25Å; I110-G113 PolarHBondContact O-N 2.83Å; E111-G113 PolarHBondContact O-N 2.95Å
114A89.5Confident92Very high23 Ų2360.2 Ų60.219%0.1934%0.343CS..  trans-69.5138.817600000112L79 I109 G116 V117L79-A114 HydrophobicContact CD2-CB 3.91Å; I109-A114 HydrophobicContact CG2-CB 3.53Å; I109-A114 WeakPolarHBondContact O-CB 3.47Å; I109-A114 PolarHBondContact O-N 2.81Å; A114-G116 VanDerWaalsContact C-N 3.34Å; A114-V117 HydrophobicContact CB-CG2 4Å
115R91.1Very high91.7Very high175 Ų17559.8 Ų59.866%0.6633%0.332SS*.SBendtrans-73.6-24.9176.5-66.7-158.6-64-117.12.1113.8G138 L139 Y150R115-G138 WeakPolarHBondContact O-CA 3.4Å; R115-L139 PolarHBondContact O-N 3.09Å; R115-Y150 VanDerWaalsContact NH2-CD1 3.32Å
116G91.2Very high91.4Very high26 Ų2669.7 Ų69.727%0.26838%0.375SS..EExtended strand (participates in β ladder)trans-171156.1177.100000111.5A114 N137 L139A114-G116 VanDerWaalsContact C-N 3.34Å; G116-N137 CarbonylContact C-O 3.59Å; G116-N137 VanDerWaalsContact CA-O 3.29Å; G116-N137 WeakPolarHBondContact CA-O 3.36Å; G116-L139 WeakPolarHBondContact CA-O 3.41Å
117V92.5Very high91.1Very high16 Ų1674.9 Ų74.910%0.09740%0.403CS..EExtended strand (participates in β ladder)trans-147.3133.4-171.5-168.80000109.5L106 I109 I110 A114 V119 C136 N137 I140L106-V117 HydrophobicContact CD2-CB 3.69Å; L106-V117 HydrophobicContact CD2-CG1 3.58Å; I109-V117 HydrophobicContact CB-CG1 4.3Å; I109-V117 HydrophobicContact CB-CG2 3.79Å; I109-V117 HydrophobicContact CD1-CG1 3.61Å; I109-V117 HydrophobicContact CG2-CB 4.32Å; I109-V117 HydrophobicContact CG2-CG1 4.08Å; I109-V117 HydrophobicContact CG2-CG2 3.23Å; I110-V117 HydrophobicContact CG1-CG2 4.01Å; A114-V117 HydrophobicContact CB-CG2 4Å; V117-V119 HydrophobicContact CG1-CG2 4.32Å; V117-C136 WeakPolarHBondContact O-CA 3.36Å; V117-N137 PolarHBondContact N-O 3.13Å; V117-N137 PolarHBondContact O-N 3.04Å; V117-I140 WeakPolarHBondContact O-CD1 3.39Å
118G91.5Very high91Very high47 Ų4774.3 Ų74.349%0.48541%0.407SS..EExtended strand (participates in β ladder)trans-120125.4170.500000110.7
119V93.7Very high91Very high16 Ų1681.8 Ų81.810%0.09743%0.433CS..EExtended strand (participates in β ladder)trans-118.2123.3171.8179.30000108.2L88 L106 V117 V121 F135L88-V119 HydrophobicContact CD2-CG1 3.61Å; L106-V119 HydrophobicContact CD2-CG2 3.89Å; L106-V119 HydrophobicContact CG-CG2 4.22Å; V117-V119 HydrophobicContact CG1-CG2 4.32Å; V119-V121 HydrophobicContact CG1-CG2 4.27Å; V119-F135 PolarHBondContact N-O 3Å; V119-F135 PolarHBondContact O-N 3.18Å
120I93.6Very high91Very high111 Ų11185 Ų8557%0.56946%0.463SS*.EExtended strand (participates in β ladder)trans-116.4120.9177.6-58173.2000107.9M133 K134I120-M133 WeakPolarHBondContact CA-O 3.42Å; I120-K134 HydrophobicContact CG1-CB 4.49Å; I120-K134 HydrophobicContact CG1-CG 4.11Å
121V93.1Very high91.1Very high20 Ų2088 Ų8812%0.12147%0.474CS..EExtended strand (participates in β ladder)trans-111.9117.3173.6-178.40000108.3L88 V98 C102 V119 I125 M133L88-V121 HydrophobicContact CD2-CG2 4.05Å; V98-V121 HydrophobicContact CG1-CB 4.19Å; V98-V121 HydrophobicContact CG1-CG1 3.99Å; V98-V121 HydrophobicContact CG1-CG2 4.25Å; C102-V121 VanDerWaalsContact SG-CG2 3.55Å; V119-V121 HydrophobicContact CG1-CG2 4.27Å; V121-I125 HydrophobicContact CG1-CD1 4.41Å; V121-M133 PolarHBondContact N-O 3.38Å; V121-M133 PolarHBondContact O-N 2.95Å
122S92.8Very high91.1Very high84 Ų8485.5 Ų85.559%0.58747%0.474SS*.EExtended strand (participates in β ladder)trans-121.7137.7-178-620000110.1
123G92.2Very high91.2Very high31 Ų3184.9 Ų84.932%0.3247%0.467SS..EExtended strand (participates in β ladder)trans153-165.717800000112.3I125 A130 K131G123-I125 PolarHBondContact O-N 2.92Å; G123-A130 CarbonylContact O-C 3.55Å; G123-A130 WeakPolarHBondContact O-CA 3.47Å; G123-K131 PolarHBondContact N-O 3.45Å; G123-K131 PolarHBondContact O-N 3.39Å; G123-K131 VanDerWaalsContact O-O 3.06Å
124K92Very high91.4Very high145 Ų14588.1 Ų88.163%0.6346%0.464SS*.EExtended strand (participates in β ladder)trans-77.999.9174-66.7-177.7179.6-174.10109.3Q128K124-Q128 WeakPolarHBondContact CE-O 3.31Å
125I86.5Confident91.6Very high25 Ų2587.6 Ų87.613%0.12846%0.458CS..  trans-105.2105.5-177.8-56.6173.3000107.8V98 V121 G123 D127 K131 M133V98-I125 HydrophobicContact CG2-CG2 4.49Å; V121-I125 HydrophobicContact CG1-CD1 4.41Å; G123-I125 PolarHBondContact O-N 2.92Å; I125-D127 PolarHBondContact O-N 3.45Å; I125-K131 HydrophobicContact CB-CB 4.46Å; I125-K131 HydrophobicContact CD1-CB 4.41Å; I125-M133 HydrophobicContact CD1-CB 4.36Å; I125-M133 HydrophobicContact CD1-CG 3.77Å; I125-M133 HydrophobicContact CD1-SD 3.87Å; I125-M133 HydrophobicContact CG2-SD 4.21Å
126K84.7Confident91.6Very high210 Ų21082.2 Ų82.291%0.91345%0.446SS*.SBendtrans64.8-40.2-175.7-58.8-174.5174.3-169.10115.7
127D87.3Confident91.6Very high115 Ų11585.2 Ų85.262%0.61546%0.456SS*.SBendtrans-105166.7-177.2-59.5-41.3000112.3I125 R129I125-D127 PolarHBondContact O-N 3.45Å; D127-R129 PolarHBondContact O-N 2.87Å
128Q91.5Very high91.5Very high157 Ų15787 Ų8773%0.73448%0.477SS*.SBendtrans-69.1-20.9177.3-67.9-59-28.600113.7K124K124-Q128 WeakPolarHBondContact CE-O 3.31Å
129R91.5Very high91.4Very high217 Ų21790.6 Ų90.682%0.81949%0.485SS*.SBendtrans-85.5139.4178-66.2-176.9-178171.31.3110.3D127D127-R129 PolarHBondContact O-N 2.87Å
130A92.7Very high91.1Very high87 Ų8791.9 Ų91.972%0.71949%0.491SS*.EExtended strand (participates in β ladder)trans-64.9139.3174.800000110.7G123G123-A130 CarbonylContact O-C 3.55Å; G123-A130 WeakPolarHBondContact O-CA 3.47Å
131K93.6Very high90.8Very high118 Ų11889.3 Ų89.351%0.51348%0.477SS..EExtended strand (participates in β ladder)trans-134.3140.7175.5-175.2171.1-175.9166.80108.9G123 I125 M133G123-K131 PolarHBondContact N-O 3.45Å; G123-K131 PolarHBondContact O-N 3.39Å; G123-K131 VanDerWaalsContact O-O 3.06Å; I125-K131 HydrophobicContact CB-CB 4.46Å; I125-K131 HydrophobicContact CD1-CB 4.41Å; K131-M133 HydrophobicContact CG-CG 4.45Å
132A92.6Very high90.5Very high69 Ų6994.5 Ų94.557%0.5750%0.5SS*.EExtended strand (participates in β ladder)trans-104.5132.4168.600000109.2
133M92.9Very high90.2Very high31 Ų3195.1 Ų95.115%0.15351%0.505CS..EExtended strand (participates in β ladder)trans-118.8117.2173.5-67.9-173.570.700108.7R99 I120 V121 I125 K131 F135R99-M133 HydrophobicContact CG-CE 4.07Å; I120-M133 WeakPolarHBondContact CA-O 3.42Å; V121-M133 PolarHBondContact N-O 3.38Å; V121-M133 PolarHBondContact O-N 2.95Å; I125-M133 HydrophobicContact CD1-CB 4.36Å; I125-M133 HydrophobicContact CD1-CG 3.77Å; I125-M133 HydrophobicContact CD1-SD 3.87Å; I125-M133 HydrophobicContact CG2-SD 4.21Å; K131-M133 HydrophobicContact CG-CG 4.45Å; M133-F135 HydrophobicContact CB-CD2 4.49Å; M133-F135 HydrophobicContact CB-CE2 3.72Å; M133-F135 HydrophobicContact CB-CZ 4.16Å; M133-F135 HydrophobicContact CE-CE1 4.26Å; M133-F135 HydrophobicContact CE-CE2 4.35Å; M133-F135 HydrophobicContact CE-CZ 3.61Å; M133-F135 HydrophobicContact SD-CZ 4.46Å
134K93.4Very high90.1Very high128 Ų12896.4 Ų96.456%0.55752%0.517SS*.EExtended strand (participates in β ladder)trans-97.9127.6175.2-173.2-178.9-164.6-164.30108.9I120 C136I120-K134 HydrophobicContact CG1-CB 4.49Å; I120-K134 HydrophobicContact CG1-CG 4.11Å; K134-C136 WeakPolarHBondContact CE-SG 3.31Å; K134-C136 VanDerWaalsContact CG-SG 3.54Å
135F93.2Very high89.9Confident12 Ų1294.7 Ų94.75%0.05352%0.515CS..EExtended strand (participates in β ladder)trans-119.2123.3172.1-55.2-95.2000108V98 R99 C102 Y103 L106 V119 M133V98-F135 HydrophobicContact CG1-CE2 4.36Å; V98-F135 HydrophobicContact CG1-CZ 4.48Å; R99-F135 HydrophobicContact CB-CE1 4.49Å; R99-F135 HydrophobicContact CG-CE1 4.11Å; R99-F135 HydrophobicContact CG-CZ 4.09Å; C102-F135 HydrophobicContact CB-CB 4.49Å; C102-F135 HydrophobicContact CB-CD1 4.17Å; C102-F135 HydrophobicContact CB-CD2 3.66Å; C102-F135 HydrophobicContact CB-CE1 4.26Å; C102-F135 HydrophobicContact CB-CE2 3.77Å; C102-F135 HydrophobicContact CB-CG 3.87Å; C102-F135 HydrophobicContact CB-CZ 4.06Å; C102-F135 VanDerWaalsContact SG-CE2 3.51Å; Y103-F135 HydrophobicContact CE1-CD1 4.11Å; Y103-F135 HydrophobicContact CE2-CE1 4.29Å; L106-F135 HydrophobicContact CD1-CB 3.54Å; V119-F135 PolarHBondContact N-O 3Å; V119-F135 PolarHBondContact O-N 3.18Å; M133-F135 HydrophobicContact CB-CD2 4.49Å; M133-F135 HydrophobicContact CB-CE2 3.72Å; M133-F135 HydrophobicContact CB-CZ 4.16Å; M133-F135 HydrophobicContact CE-CE1 4.26Å; M133-F135 HydrophobicContact CE-CE2 4.35Å; M133-F135 HydrophobicContact CE-CZ 3.61Å; M133-F135 HydrophobicContact SD-CZ 4.46Å
136C91.7Very high89.9Confident62 Ų6295.8 Ų95.842%0.41952%0.524SS..EExtended strand (participates in β ladder)trans-132.1146.9-177.4-63.90000110.4V117 K134 I140V117-C136 WeakPolarHBondContact O-CA 3.36Å; K134-C136 WeakPolarHBondContact CE-SG 3.31Å; K134-C136 VanDerWaalsContact CG-SG 3.54Å; C136-I140 HydrophobicContact CB-CD1 4Å
137N91.2Very high89.9Confident89 Ų8987.7 Ų87.748%0.47649%0.492SS..EExtended strand (participates in β ladder)trans-153142.9171.1-168.1-6.7000109.3I110 G116 V117I110-N137 HydrophobicContact CD1-CB 3.51Å; I110-N137 WeakPolarHBondContact CD1-ND2 3.16Å; G116-N137 CarbonylContact C-O 3.59Å; G116-N137 VanDerWaalsContact CA-O 3.29Å; G116-N137 WeakPolarHBondContact CA-O 3.36Å; V117-N137 PolarHBondContact N-O 3.13Å; V117-N137 PolarHBondContact O-N 3.04Å
138G89.8Confident89.8Confident53 Ų5388.2 Ų88.255%0.54650%0.495SS..EExtended strand (participates in β ladder)trans76.6-165-174.800000114.9R115R115-G138 WeakPolarHBondContact O-CA 3.4Å
139L88.6Confident89.3Confident123 Ų12386.2 Ų86.264%0.64449%0.489SS*.  trans-88.4121.9-176.417967.7000111R115 G116R115-L139 PolarHBondContact O-N 3.09Å; G116-L139 WeakPolarHBondContact CA-O 3.41Å
140I87.6Confident88.8Confident43 Ų4383.2 Ų83.222%0.22148%0.479CS..  trans-119.6124.4175.8-53.4174.5000108.8V117 C136 H142V117-I140 WeakPolarHBondContact O-CD1 3.39Å; C136-I140 HydrophobicContact CB-CD1 4Å; I140-H142 VanDerWaalsContact CG2-CE1 3.41Å; I140-H142 WeakPolarHBondContact CG2-CE1 3.45Å
141I87.5Confident88.1Confident56 Ų5683 Ų8329%0.28747%0.465SS..  trans-85.3130.7173.6-55.4175.2000107.6P146 V147 I151I141-P146 HydrophobicContact CD1-CB 4.18Å; I141-P146 HydrophobicContact CG2-CB 4.46Å; I141-P146 HydrophobicContact CG2-CG 4.1Å; I141-V147 HydrophobicContact CG2-CG2 3.99Å; I141-I151 WeakPolarHBondContact O-CD1 3.49Å
142H86.9Confident87.4Confident130 Ų13084.1 Ų84.160%0.60248%0.476SS*.  trans-112.1-10.9-177.3-72-52.1000113.9I140I140-H142 VanDerWaalsContact CG2-CE1 3.41Å; I140-H142 WeakPolarHBondContact CG2-CE1 3.45Å
143S87Confident87.2Confident97 Ų9784.9 Ų84.968%0.67847%0.472SS*.SBendtrans-144.3149.4-170.9-53.30000112.2
144G90.1Very high86.9Confident57 Ų5787.7 Ų87.759%0.58849%0.488SS*.SBendtrans88.3172.7178.800000114.1P146 V147G144-P146 VanDerWaalsContact C-N 3.32Å; G144-V147 WeakPolarHBondContact O-CB 3.33Å; G144-V147 WeakPolarHBondContact O-CG2 3.02Å; G144-V147 PolarHBondContact O-N 3.06Å
145D87.3Confident86.5Confident109 Ų10985.4 Ų85.458%0.58349%0.485SS*.THydrogen-bonded Turntrans-53.1-32.7173.7-165.857.9000115.9V147 N148 N149D145-V147 PolarHBondContact O-N 3.11Å; D145-N148 PolarHBondContact O-N 2.91Å; D145-N149 PolarHBondContact OD2-ND2 2.85Å
146P86.1Confident86.1Confident49 Ų4989.8 Ų89.832%0.31851%0.51SS..Hα-helixtrans-57.6-20.8176.820.6-35.7000114.4I141 G144 N148 N149 Y150I141-P146 HydrophobicContact CD1-CB 4.18Å; I141-P146 HydrophobicContact CG2-CB 4.46Å; I141-P146 HydrophobicContact CG2-CG 4.1Å; G144-P146 VanDerWaalsContact C-N 3.32Å; P146-N148 VanDerWaalsContact C-N 3.3Å; P146-N148 PolarHBondContact O-N 3.34Å; P146-N149 PolarHBondContact O-N 2.81Å; P146-Y150 HydrophobicContact CB-CD2 3.77Å; P146-Y150 HydrophobicContact CB-CE2 4.14Å; P146-Y150 WeakPolarHBondContact O-CB 3.45Å; P146-Y150 VanDerWaalsContact O-CD2 3.31Å; P146-Y150 WeakPolarHBondContact O-CD2 3.47Å; P146-Y150 PolarHBondContact O-N 3.18Å
147V85.6Confident85.8Confident40 Ų4091.5 Ų91.524%0.24252%0.516CS..Hα-helixtrans-57.8-44.6174.8170.90000111I141 G144 D145 N149 I151I141-V147 HydrophobicContact CG2-CG2 3.99Å; G144-V147 WeakPolarHBondContact O-CB 3.33Å; G144-V147 WeakPolarHBondContact O-CG2 3.02Å; G144-V147 PolarHBondContact O-N 3.06Å; D145-V147 PolarHBondContact O-N 3.11Å; V147-N149 VanDerWaalsContact C-N 3.29Å; V147-N149 PolarHBondContact O-N 2.8Å; V147-I151 HydrophobicContact CG1-CD1 4.13Å; V147-I151 VanDerWaalsContact O-CB 3.27Å; V147-I151 WeakPolarHBondContact O-CB 3.43Å; V147-I151 PolarHBondContact O-N 3.36Å; V147-I151 VanDerWaalsContact O-N 3.14Å
148N83.9Confident85.4Confident125 Ų12591.7 Ų91.767%0.66852%0.518SS*.Hα-helixtrans-72.2-24.2-176.4-60.9-33.2000113D145 P146D145-N148 PolarHBondContact O-N 2.91Å; P146-N148 VanDerWaalsContact C-N 3.3Å; P146-N148 PolarHBondContact O-N 3.34Å
149N82.5Confident85.1Confident116 Ų11694.4 Ų94.462%0.6252%0.516SS*.Hα-helixtrans-96.5-27.4-175.4-63.8-38000113D145 P146 V147D145-N149 PolarHBondContact OD2-ND2 2.85Å; P146-N149 PolarHBondContact O-N 2.81Å; V147-N149 VanDerWaalsContact C-N 3.29Å; V147-N149 PolarHBondContact O-N 2.8Å
150Y79.5Confident84.8Confident154 Ų15492.2 Ų92.260%0.60451%0.507SS*.Hα-helixtrans-110.1-10.4-174.1-71.8-77.1000114.4R115 P146R115-Y150 VanDerWaalsContact NH2-CD1 3.32Å; P146-Y150 HydrophobicContact CB-CD2 3.77Å; P146-Y150 HydrophobicContact CB-CE2 4.14Å; P146-Y150 WeakPolarHBondContact O-CB 3.45Å; P146-Y150 VanDerWaalsContact O-CD2 3.31Å; P146-Y150 WeakPolarHBondContact O-CD2 3.47Å; P146-Y150 PolarHBondContact O-N 3.18Å
151I79.8Confident84.6Confident81 Ų8196.3 Ų96.342%0.41553%0.53SS..  trans-115.1127.4-179.5-57.1179.8000108.6I141 V147I141-I151 WeakPolarHBondContact O-CD1 3.49Å; V147-I151 HydrophobicContact CG1-CD1 4.13Å; V147-I151 VanDerWaalsContact O-CB 3.27Å; V147-I151 WeakPolarHBondContact O-CB 3.43Å; V147-I151 PolarHBondContact O-N 3.36Å; V147-I151 VanDerWaalsContact O-N 3.14Å
152D78.8Confident84.3Confident142 Ų142100 Ų10076%0.75955%0.553SS**  trans-102.70169.4-170.547.6000109.8S80 A81S80-D152 WeakPolarHBondContact CA-OD2 3.39Å; A81-D152 VanDerWaalsContact CB-C 3.43Å; A81-D152 HydrophobicContact CB-CB 4.35Å; A81-D152 VanDerWaalsContact CB-O 3.26Å; A81-D152 WeakPolarHBondContact CB-O 3.39Å; A81-D152 WeakPolarHBondContact CB-OXT 3.44Å; A81-D152 PolarHBondContact N-OD2 3.34Å

Retrieved 152 of 152 residues in 104.6 ms (Link to these results)

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