G4VS05_SCHMA Loading...

Bola-like protein my016

AlphaFold DB , UniProt , Accession G4VS05, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 77 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
1M63.3Low86.2Confident239 Ų23980.4 Ų80.4100%1.17744%0.441SS*.  0131.60-79.3179.4170.200106.7
2A73.1Confident86.9Confident60 Ų6076.5 Ų76.550%0.49642%0.419SS..  trans-64.9134.7171.200000108.9E6A2-E6 WeakPolarHBondContact CA-OE2 3.31Å; A2-E6 HydrophobicContact CB-CB 4.12Å
3T83.9Confident87.5Confident44 Ų4470.6 Ų70.627%0.2739%0.386SS..  trans-65.3156172.861.60000110.1R5 E6 T7T3-R5 PolarHBondContact O-N 3.06Å; T3-R5 VanDerWaalsContact O-N 3.11Å; T3-E6 WeakPolarHBondContact CB-OE2 3.42Å; T3-E6 WeakPolarHBondContact CG2-OE2 3.4Å; T3-E6 PolarHBondContact N-OE2 2.92Å; T3-E6 PolarHBondContact O-N 3.34Å; T3-E6 WeakPolarHBondContact OG1-CG 3.45Å; T3-E6 PolarHBondContact OG1-N 3.17Å; T3-E6 PolarHBondContact OG1-OE2 2.84Å; T3-T7 PolarHBondContact O-N 3.1Å; T3-T7 VanDerWaalsContact O-N 3.1Å; T3-T7 PolarHBondContact O-OG1 3.14Å
4A87.1Confident88Confident91 Ų9173.1 Ų73.175%0.75239%0.392SS*.Hα-helixtrans-55.6-31.217600000112.6K8A4-K8 WeakPolarHBondContact O-CB 3.26Å; A4-K8 PolarHBondContact O-N 3.17Å; A4-K8 VanDerWaalsContact O-N 3.11Å
5R87.8Confident88.4Confident120 Ų12077.7 Ų77.745%0.45341%0.41SS..Hα-helixtrans-70.2-45.7174.8-93178.4172.3158.6-4.6112.5T3 T7 K8 I9 F36T3-R5 PolarHBondContact O-N 3.06Å; T3-R5 VanDerWaalsContact O-N 3.11Å; R5-T7 VanDerWaalsContact C-N 3.32Å; R5-T7 PolarHBondContact O-N 2.88Å; R5-K8 PolarHBondContact O-N 3.29Å; R5-I9 VanDerWaalsContact O-CG1 3.31Å; R5-I9 WeakPolarHBondContact O-CG1 3.24Å; R5-I9 PolarHBondContact O-N 2.87Å; R5-F36 HydrophobicContact CB-CE1 4.04Å; R5-F36 HydrophobicContact CB-CZ 3.69Å; R5-F36 HydrophobicContact CG-CZ 4.39Å
6E90.5Very high88.8Confident22 Ų2278.1 Ų78.110%0.10341%0.412CS..Hα-helixtrans-55.6-50175.5-78.2164.2112.600110.8A2 T3 K8 I9 E10 V25 S26 D27 F36A2-E6 WeakPolarHBondContact CA-OE2 3.31Å; A2-E6 HydrophobicContact CB-CB 4.12Å; T3-E6 WeakPolarHBondContact CB-OE2 3.42Å; T3-E6 WeakPolarHBondContact CG2-OE2 3.4Å; T3-E6 PolarHBondContact N-OE2 2.92Å; T3-E6 PolarHBondContact O-N 3.34Å; T3-E6 WeakPolarHBondContact OG1-CG 3.45Å; T3-E6 PolarHBondContact OG1-N 3.17Å; T3-E6 PolarHBondContact OG1-OE2 2.84Å; E6-K8 VanDerWaalsContact C-N 3.31Å; E6-K8 PolarHBondContact O-N 3.25Å; E6-I9 PolarHBondContact O-N 3.35Å; E6-E10 WeakPolarHBondContact O-CB 3.25Å; E6-E10 PolarHBondContact O-N 3.49Å; E6-V25 HydrophobicContact CB-CG1 4.37Å; E6-V25 HydrophobicContact CG-CG1 4.23Å; E6-S26 VanDerWaalsContact OE1-CA 3.25Å; E6-S26 WeakPolarHBondContact OE1-CA 3.25Å; E6-D27 VanDerWaalsContact CD-N 3.3Å; E6-D27 HydrophobicContact CG-CB 3.96Å; E6-D27 PolarHBondContact OE1-N 2.97Å; E6-F36 HydrophobicContact CG-CD1 3.95Å; E6-F36 HydrophobicContact CG-CE1 3.85Å
7T91.2Very high89.1Confident68 Ų6874 Ų7442%0.41739%0.39SS..Hα-helixtrans-60.7-41.5180-48.50000111.5T3 R5 E10 T11T3-T7 PolarHBondContact O-N 3.1Å; T3-T7 VanDerWaalsContact O-N 3.1Å; T3-T7 PolarHBondContact O-OG1 3.14Å; R5-T7 VanDerWaalsContact C-N 3.32Å; R5-T7 PolarHBondContact O-N 2.88Å; T7-E10 PolarHBondContact O-N 2.86Å; T7-T11 PolarHBondContact O-N 2.9Å; T7-T11 PolarHBondContact O-OG1 2.91Å; T7-T11 VanDerWaalsContact O-OG1 3.06Å
8K91.4Very high89.3Confident121 Ų12175.2 Ų75.253%0.52640%0.403SS..Hα-helixtrans-64.1-46.9178.6-165.6-179.7-173.9-156.50112.2A4 R5 E6 E10 T11 I12 E64A4-K8 WeakPolarHBondContact O-CB 3.26Å; A4-K8 PolarHBondContact O-N 3.17Å; A4-K8 VanDerWaalsContact O-N 3.11Å; R5-K8 PolarHBondContact O-N 3.29Å; E6-K8 VanDerWaalsContact C-N 3.31Å; E6-K8 PolarHBondContact O-N 3.25Å; K8-E10 VanDerWaalsContact C-N 3.32Å; K8-E10 PolarHBondContact O-N 3.26Å; K8-T11 PolarHBondContact O-N 3.36Å; K8-I12 HydrophobicContact CG-CD1 4.32Å; K8-I12 WeakPolarHBondContact O-CG1 3.43Å; K8-I12 PolarHBondContact O-N 3.41Å; K8-I12 VanDerWaalsContact O-N 3.1Å; K8-E64 VanDerWaalsContact CD-OE1 3.32Å; K8-E64 WeakPolarHBondContact CD-OE1 3.36Å; K8-E64 WeakPolarHBondContact CE-OE1 3.13Å; K8-E64 IonicContact NZ-OE1 2.64Å; K8-E64 PolarHBondContact NZ-OE1 3.31Å
9I92.2Very high89.4Confident3 Ų378 Ų782%0.01542%0.418CS..Hα-helixtrans-61.2-44.4177-66.7170.4000109.7R5 E6 T11 I12 L13 V25 F36 I38 L61 E64 M68R5-I9 VanDerWaalsContact O-CG1 3.31Å; R5-I9 WeakPolarHBondContact O-CG1 3.24Å; R5-I9 PolarHBondContact O-N 2.87Å; E6-I9 PolarHBondContact O-N 3.35Å; I9-T11 VanDerWaalsContact C-N 3.35Å; I9-T11 PolarHBondContact O-N 3.17Å; I9-I12 PolarHBondContact O-N 3.35Å; I9-L13 HydrophobicContact CG2-CD1 3.91Å; I9-L13 HydrophobicContact CG2-CG 4.37Å; I9-L13 VanDerWaalsContact O-CG 3.28Å; I9-L13 WeakPolarHBondContact O-CG 3.37Å; I9-L13 PolarHBondContact O-N 3.1Å; I9-V25 HydrophobicContact CB-CG1 4.09Å; I9-V25 HydrophobicContact CB-CG2 4.37Å; I9-V25 HydrophobicContact CG2-CB 4.48Å; I9-V25 HydrophobicContact CG2-CG1 3.84Å; I9-V25 HydrophobicContact CG2-CG2 3.81Å; I9-F36 HydrophobicContact CD1-CD1 4.05Å; I9-F36 HydrophobicContact CD1-CD2 4.1Å; I9-F36 HydrophobicContact CD1-CE1 4.2Å; I9-F36 HydrophobicContact CD1-CE2 4.2Å; I9-F36 HydrophobicContact CD1-CG 3.98Å; I9-F36 HydrophobicContact CD1-CZ 4.26Å; I9-I38 HydrophobicContact CG2-CD1 4.12Å; I9-I38 HydrophobicContact CG2-CG1 4.37Å; I9-L61 HydrophobicContact CB-CD2 4.42Å; I9-L61 HydrophobicContact CG2-CD1 3.92Å; I9-L61 HydrophobicContact CG2-CD2 3.75Å; I9-E64 HydrophobicContact CG1-CG 4.5Å; I9-M68 HydrophobicContact CD1-CE 4.01Å; I9-M68 HydrophobicContact CD1-SD 4.13Å
10E93.7Very high89.7Confident49 Ų4975.3 Ų75.323%0.22941%0.406CS..Hα-helixtrans-60.7-43.1179.5-166.5-173.2172.600111.7E6 T7 K8 L13 K14 V23 V25E6-E10 WeakPolarHBondContact O-CB 3.25Å; E6-E10 PolarHBondContact O-N 3.49Å; T7-E10 PolarHBondContact O-N 2.86Å; K8-E10 VanDerWaalsContact C-N 3.32Å; K8-E10 PolarHBondContact O-N 3.26Å; E10-L13 PolarHBondContact O-N 2.97Å; E10-K14 HydrophobicContact CG-CD 4.36Å; E10-K14 WeakPolarHBondContact O-CG 3.46Å; E10-K14 PolarHBondContact O-N 3.09Å; E10-K14 VanDerWaalsContact OE1-CE 3.22Å; E10-K14 WeakPolarHBondContact OE1-CE 3.37Å; E10-K14 IonicContact OE1-NZ 2.64Å; E10-K14 PolarHBondContact OE1-NZ 3.23Å; E10-V23 HydrophobicContact CG-CG1 4.13Å; E10-V25 HydrophobicContact CB-CB 4.35Å; E10-V25 HydrophobicContact CB-CG2 3.81Å; E10-V25 HydrophobicContact CG-CG2 4.26Å
11T94.2Very high89.9Confident67 Ų6781.8 Ų81.841%0.41143%0.425SS..Hα-helixtrans-60.9-49.3175.5-60.40000111.7T7 K8 I9 L13 K14 E15T7-T11 PolarHBondContact O-N 2.9Å; T7-T11 PolarHBondContact O-OG1 2.91Å; T7-T11 VanDerWaalsContact O-OG1 3.06Å; K8-T11 PolarHBondContact O-N 3.36Å; I9-T11 VanDerWaalsContact C-N 3.35Å; I9-T11 PolarHBondContact O-N 3.17Å; T11-L13 VanDerWaalsContact C-N 3.27Å; T11-L13 PolarHBondContact O-N 3.28Å; T11-K14 PolarHBondContact O-N 3.3Å; T11-E15 WeakPolarHBondContact O-CG 3.44Å; T11-E15 PolarHBondContact O-N 2.61Å
12I94.3Very high91.4Very high34 Ų3474.3 Ų74.317%0.17439%0.39CS..Hα-helixtrans-58.6-42.2179.3-65.8164.6000110.9K8 I9 E15 N16 A60 L61 E64K8-I12 HydrophobicContact CG-CD1 4.32Å; K8-I12 WeakPolarHBondContact O-CG1 3.43Å; K8-I12 PolarHBondContact O-N 3.41Å; K8-I12 VanDerWaalsContact O-N 3.1Å; I9-I12 PolarHBondContact O-N 3.35Å; I12-E15 PolarHBondContact O-N 2.87Å; I12-N16 WeakPolarHBondContact O-CB 3.37Å; I12-N16 PolarHBondContact O-N 2.86Å; I12-N16 PolarHBondContact O-ND2 2.85Å; I12-A60 WeakPolarHBondContact CG2-O 3.44Å; I12-L61 HydrophobicContact CB-CD2 4.23Å; I12-L61 HydrophobicContact CG2-CD2 3.96Å; I12-E64 HydrophobicContact CD1-CG 4.22Å
13L94.8Very high92.5Very high0 Ų072.2 Ų72.20%037%0.371CS..Hα-helixtrans-66.6-42.9178.3-69.9175.1000111.9I9 E10 T11 E15 N16 F17 V23 V25 I38 I40 V57 A60 L61I9-L13 HydrophobicContact CG2-CD1 3.91Å; I9-L13 HydrophobicContact CG2-CG 4.37Å; I9-L13 VanDerWaalsContact O-CG 3.28Å; I9-L13 WeakPolarHBondContact O-CG 3.37Å; I9-L13 PolarHBondContact O-N 3.1Å; E10-L13 PolarHBondContact O-N 2.97Å; T11-L13 VanDerWaalsContact C-N 3.27Å; T11-L13 PolarHBondContact O-N 3.28Å; L13-E15 VanDerWaalsContact C-N 3.29Å; L13-E15 PolarHBondContact O-N 3.02Å; L13-N16 PolarHBondContact O-N 2.86Å; L13-F17 HydrophobicContact CD2-CD2 4.29Å; L13-F17 HydrophobicContact CD2-CE2 3.96Å; L13-F17 WeakPolarHBondContact O-CB 3.48Å; L13-F17 VanDerWaalsContact O-CD2 3.29Å; L13-F17 WeakPolarHBondContact O-CD2 3.29Å; L13-F17 PolarHBondContact O-N 3.01Å; L13-V23 HydrophobicContact CB-CG1 3.62Å; L13-V23 HydrophobicContact CD1-CG1 4.08Å; L13-V25 HydrophobicContact CD1-CG2 3.84Å; L13-I38 HydrophobicContact CD1-CD1 4.37Å; L13-I38 HydrophobicContact CD1-CG1 4.27Å; L13-I38 HydrophobicContact CD1-CG2 3.46Å; L13-I38 VanDerWaalsContact CD1-CG2 3.46Å; L13-I40 HydrophobicContact CB-CD1 4.39Å; L13-I40 HydrophobicContact CD1-CD1 3.98Å; L13-I40 HydrophobicContact CD1-CG1 4.48Å; L13-I40 HydrophobicContact CD2-CD1 3.74Å; L13-I40 HydrophobicContact CG-CD1 4.25Å; L13-V57 HydrophobicContact CD2-CG1 4.02Å; L13-A60 HydrophobicContact CD2-CB 4.32Å; L13-L61 HydrophobicContact CD1-CD1 4.4Å; L13-L61 HydrophobicContact CD2-CD1 3.94Å; L13-L61 HydrophobicContact CD2-CD2 4.07Å; L13-L61 HydrophobicContact CD2-CG 3.85Å; L13-L61 HydrophobicContact CG-CD1 4.35Å; L13-L61 HydrophobicContact CG-CD2 4.12Å; L13-L61 HydrophobicContact CG-CG 4.38Å
14K94.2Very high93Very high106 Ų10672.2 Ų72.246%0.46137%0.373SS..Hα-helixtrans-62.8-36176.1-75.2176.3-178.6169.60112.4E10 T11 F17 P18 V23E10-K14 HydrophobicContact CG-CD 4.36Å; E10-K14 WeakPolarHBondContact O-CG 3.46Å; E10-K14 PolarHBondContact O-N 3.09Å; E10-K14 VanDerWaalsContact OE1-CE 3.22Å; E10-K14 WeakPolarHBondContact OE1-CE 3.37Å; E10-K14 IonicContact OE1-NZ 2.64Å; E10-K14 PolarHBondContact OE1-NZ 3.23Å; T11-K14 PolarHBondContact O-N 3.3Å; K14-F17 CarbonylContact O-C 3.41Å; K14-P18 WeakPolarHBondContact O-CA 3.47Å; K14-V23 HydrophobicContact CG-CB 3.96Å; K14-V23 HydrophobicContact CG-CG1 4.17Å; K14-V23 HydrophobicContact CG-CG2 4.01Å
15E94.9Very high93.3Very high141 Ų14168.4 Ų68.466%0.65934%0.34SS*.Hα-helixtrans-70.2-37.7175.6-71.8176.1175.300112.5T11 I12 L13T11-E15 WeakPolarHBondContact O-CG 3.44Å; T11-E15 PolarHBondContact O-N 2.61Å; I12-E15 PolarHBondContact O-N 2.87Å; L13-E15 VanDerWaalsContact C-N 3.29Å; L13-E15 PolarHBondContact O-N 3.02Å
16N94.3Very high93.5Very high84 Ų8465 Ų6545%0.44934%0.335SS..Hα-helixtrans-78.2-28.5178.6-82.4-97.4000113.2I12 L13 P18 A60I12-N16 WeakPolarHBondContact O-CB 3.37Å; I12-N16 PolarHBondContact O-N 2.86Å; I12-N16 PolarHBondContact O-ND2 2.85Å; L13-N16 PolarHBondContact O-N 2.86Å; N16-P18 VanDerWaalsContact C-CD 3.41Å; N16-P18 WeakPolarHBondContact O-CD 3.42Å; N16-A60 HydrophobicContact CB-CB 3.73Å; N16-A60 VanDerWaalsContact CG-CB 3.46Å
17F93.9Very high93.5Very high9 Ų965.2 Ų65.24%0.03934%0.336CS..  trans-123.166.8-179.9-54.9-73.3000110.5L13 K14 N19 A20 I40 F45 A56 V57 A60L13-F17 HydrophobicContact CD2-CD2 4.29Å; L13-F17 HydrophobicContact CD2-CE2 3.96Å; L13-F17 WeakPolarHBondContact O-CB 3.48Å; L13-F17 VanDerWaalsContact O-CD2 3.29Å; L13-F17 WeakPolarHBondContact O-CD2 3.29Å; L13-F17 PolarHBondContact O-N 3.01Å; K14-F17 CarbonylContact O-C 3.41Å; F17-N19 PolarHBondContact O-N 3.42Å; F17-N19 VanDerWaalsContact O-N 3.17Å; F17-A20 HydrophobicContact CB-CB 3.9Å; F17-A20 WeakPolarHBondContact O-CB 3.5Å; F17-A20 PolarHBondContact O-N 3.28Å; F17-I40 HydrophobicContact CD2-CD1 3.9Å; F17-I40 HydrophobicContact CE2-CD1 3.91Å; F17-F45 AromaticContact CD1-CE1 3.95Å; F17-F45 HydrophobicContact CD1-CE1 3.95Å; F17-F45 AromaticContact CD1-CZ 3.87Å; F17-F45 HydrophobicContact CD1-CZ 3.87Å; F17-F45 AromaticContact CE1-CE1 3.62Å; F17-F45 HydrophobicContact CE1-CE1 3.62Å; F17-F45 AromaticContact CE1-CZ 3.67Å; F17-F45 HydrophobicContact CE1-CZ 3.67Å; F17-F45 HydrophobicContact CG-CZ 4.47Å; F17-F45 HydrophobicContact CZ-CE1 4.38Å; F17-F45 HydrophobicContact CZ-CZ 4.11Å; F17-A56 HydrophobicContact CE1-CB 4.12Å; F17-A56 HydrophobicContact CZ-CB 4.02Å; F17-V57 HydrophobicContact CE2-CG2 4.02Å; F17-V57 HydrophobicContact CZ-CG2 3.92Å; F17-A60 HydrophobicContact CE2-CB 4.22Å
18P92.1Very high93.4Very high95 Ų9565.6 Ų65.662%0.61734%0.339SS*.THydrogen-bonded Turntrans-65.4-21.6-17526.7-35.4000113.3K14 N16K14-P18 WeakPolarHBondContact O-CA 3.47Å; N16-P18 VanDerWaalsContact C-CD 3.41Å; N16-P18 WeakPolarHBondContact O-CD 3.42Å
19N91.8Very high93.1Very high129 Ų12961.3 Ų61.369%0.6932%0.324SS*.THydrogen-bonded Turntrans-93.77.6176.5-59-49.2000112.8F17 R21F17-N19 PolarHBondContact O-N 3.42Å; F17-N19 VanDerWaalsContact O-N 3.17Å; N19-R21 PolarHBondContact O-N 2.84Å
20A94.6Very high92.5Very high23 Ų2365 Ų6519%0.1936%0.362CS..EExtended strand (participates in β ladder)trans-66.3128.6175.300000110.2F17 L22 V23 I40 E41 A42F17-A20 HydrophobicContact CB-CB 3.9Å; F17-A20 WeakPolarHBondContact O-CB 3.5Å; F17-A20 PolarHBondContact O-N 3.28Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-V23 HydrophobicContact CB-CG2 3.62Å; A20-I40 HydrophobicContact CB-CG2 4.09Å; A20-E41 CarbonylContact C-O 3.53Å; A20-E41 WeakPolarHBondContact CA-O 3.38Å; A20-A42 HydrophobicContact CB-CB 3.95Å
21R94.5Very high91.7Very high213 Ų21365.2 Ų65.280%0.80438%0.377SS*.EExtended strand (participates in β ladder)trans-70.6-34.4172.5-172.6-178.7-177.6178.60.3111.4N19 E41N19-R21 PolarHBondContact O-N 2.84Å; R21-E41 PolarHBondContact N-O 3.43Å
22L94.9Very high90.9Very high81 Ų8166.7 Ų66.742%0.42439%0.389SS..EExtended strand (participates in β ladder)trans-139.9132.7178.8-176.169.5000109.6A20 V39 I40 E41A20-L22 VanDerWaalsContact C-N 3.34Å; L22-V39 HydrophobicContact CD2-CG1 4.31Å; L22-I40 CarbonylContact O-C 3.59Å; L22-I40 VanDerWaalsContact O-CA 3.32Å; L22-I40 WeakPolarHBondContact O-CA 3.34Å; L22-E41 HydrophobicContact CB-CB 3.8Å; L22-E41 PolarHBondContact N-O 3.13Å; L22-E41 VanDerWaalsContact N-O 3.16Å; L22-E41 PolarHBondContact O-N 3.45Å
23V95.8Very high90.2Very high16 Ų1665.3 Ų65.310%0.09738%0.384CS..EExtended strand (participates in β ladder)trans-131.5118.9164.5179.90000106.2E10 L13 K14 A20 V39 I40E10-V23 HydrophobicContact CG-CG1 4.13Å; L13-V23 HydrophobicContact CB-CG1 3.62Å; L13-V23 HydrophobicContact CD1-CG1 4.08Å; K14-V23 HydrophobicContact CG-CB 3.96Å; K14-V23 HydrophobicContact CG-CG1 4.17Å; K14-V23 HydrophobicContact CG-CG2 4.01Å; A20-V23 HydrophobicContact CB-CG2 3.62Å; V23-V39 WeakPolarHBondContact CA-O 3.45Å; V23-I40 HydrophobicContact CG2-CG2 4.38Å
24S94.1Very high89.6Confident45 Ų4566.5 Ų66.532%0.31539%0.394SS..EExtended strand (participates in β ladder)trans-131.6135.2176.4-172.90000109.5I38 V39S24-I38 WeakPolarHBondContact O-CA 3.42Å; S24-V39 PolarHBondContact N-O 3.42Å; S24-V39 PolarHBondContact O-N 3.39Å
25V93.7Very high89.3Confident11 Ų1166 Ų667%0.06739%0.394CS..EExtended strand (participates in β ladder)trans-126.4131.7176.4-173.90000107.6E6 I9 E10 L13 F36 E37 I38E6-V25 HydrophobicContact CB-CG1 4.37Å; E6-V25 HydrophobicContact CG-CG1 4.23Å; I9-V25 HydrophobicContact CB-CG1 4.09Å; I9-V25 HydrophobicContact CB-CG2 4.37Å; I9-V25 HydrophobicContact CG2-CB 4.48Å; I9-V25 HydrophobicContact CG2-CG1 3.84Å; I9-V25 HydrophobicContact CG2-CG2 3.81Å; E10-V25 HydrophobicContact CB-CB 4.35Å; E10-V25 HydrophobicContact CB-CG2 3.81Å; E10-V25 HydrophobicContact CG-CG2 4.26Å; L13-V25 HydrophobicContact CD1-CG2 3.84Å; V25-F36 HydrophobicContact CG1-CB 4.49Å; V25-F36 HydrophobicContact CG1-CD1 4.23Å; V25-E37 CarbonylContact C-O 3.59Å; V25-E37 WeakPolarHBondContact CA-O 3.28Å; V25-I38 HydrophobicContact CG1-CG1 4.28Å; V25-I38 HydrophobicContact CG2-CG1 4.34Å
26S91.8Very high89.1Confident49 Ų4959.3 Ų59.334%0.34336%0.363SS..EExtended strand (participates in β ladder)trans-135.1127.9178.5-63.40000110.8E6 V28 F36 E37E6-S26 VanDerWaalsContact OE1-CA 3.25Å; E6-S26 WeakPolarHBondContact OE1-CA 3.25Å; S26-V28 PolarHBondContact O-N 2.97Å; S26-F36 CarbonylContact O-C 3.56Å; S26-F36 WeakPolarHBondContact O-CA 3.44Å; S26-E37 PolarHBondContact N-O 2.97Å; S26-E37 PolarHBondContact O-N 2.91Å
27D90.4Very high89.1Confident26 Ų2657.9 Ų57.914%0.13935%0.354CS..EExtended strand (participates in β ladder)trans-74.1110.7171.2-176.5-4.7000109.1E6 S29 G31 G33 M35 F36E6-D27 VanDerWaalsContact CD-N 3.3Å; E6-D27 HydrophobicContact CG-CB 3.96Å; E6-D27 PolarHBondContact OE1-N 2.97Å; D27-S29 WeakPolarHBondContact OD1-CA 3.17Å; D27-S29 WeakPolarHBondContact OD1-CB 3.34Å; D27-S29 PolarHBondContact OD1-N 2.72Å; D27-S29 PolarHBondContact OD1-OG 3.16Å; D27-G31 WeakPolarHBondContact OD2-CA 3.43Å; D27-G31 PolarHBondContact OD2-N 3.39Å; D27-G33 WeakPolarHBondContact OD2-CA 3.46Å; D27-G33 PolarHBondContact OD2-N 3.07Å; D27-G33 VanDerWaalsContact OD2-N 3.1Å; D27-M35 VanDerWaalsContact OD1-O 3.08Å; D27-F36 HydrophobicContact CB-CD1 4.01Å; D27-F36 HydrophobicContact CB-CE1 3.87Å
28V89.8Confident89.1Confident76 Ų7657.4 Ų57.446%0.46135%0.352SS..  trans-97.85.1178.7-63.30000112.3S26 M35 E37S26-V28 PolarHBondContact O-N 2.97Å; V28-M35 HydrophobicContact CG2-CB 3.78Å; V28-M35 WeakPolarHBondContact CG2-O 3.15Å; V28-M35 PolarHBondContact N-O 2.92Å; V28-E37 HydrophobicContact CG1-CB 3.85Å
29S85.3Confident89.3Confident31 Ų3154.8 Ų54.822%0.21733%0.334CS..SBendtrans-939175.969.90000114.1D27 G33 A34 M35D27-S29 WeakPolarHBondContact OD1-CA 3.17Å; D27-S29 WeakPolarHBondContact OD1-CB 3.34Å; D27-S29 PolarHBondContact OD1-N 2.72Å; D27-S29 PolarHBondContact OD1-OG 3.16Å; S29-G33 PolarHBondContact OG-N 3.06Å; S29-A34 PolarHBondContact OG-N 2.88Å; S29-M35 PolarHBondContact N-O 3.44Å
30G80.3Confident89.5Confident80 Ų8048.7 Ų48.783%0.82530%0.301SS*.THydrogen-bonded Turntrans72.127.9178.800000113.9
31G75.7Confident89.5Confident53 Ų5350.1 Ų50.155%0.54630%0.304SS..THydrogen-bonded Turntrans94.51.8177.300000114.8D27D27-G31 WeakPolarHBondContact OD2-CA 3.43Å; D27-G31 PolarHBondContact OD2-N 3.39Å
32C78.4Confident89.5Confident98 Ų9840 Ų4066%0.66227%0.265SS*.SBendtrans-74.5-18.8172.5-165.70000111.8A34C32-A34 VanDerWaalsContact C-N 3.26Å; C32-A34 HydrophobicContact CB-CB 4.48Å; C32-A34 PolarHBondContact O-N 3.39Å
33G78.3Confident89.4Confident6 Ų638.5 Ų38.56%0.06227%0.27CS..SBendtrans62.531.7-173.200000113.3D27 S29 F36D27-G33 WeakPolarHBondContact OD2-CA 3.46Å; D27-G33 PolarHBondContact OD2-N 3.07Å; D27-G33 VanDerWaalsContact OD2-N 3.1Å; S29-G33 PolarHBondContact OG-N 3.06Å; G33-F36 VanDerWaalsContact CA-CZ 3.44Å; G33-F36 VanDerWaalsContact O-CE2 3.23Å; G33-F36 WeakPolarHBondContact O-CE2 3.3Å
34A82.2Confident89.1Confident25 Ų2541.1 Ų41.121%0.20728%0.281CS..SBendtrans-91.9-30.1178.400000112.4S29 C32 H69 G70S29-A34 PolarHBondContact OG-N 2.88Å; C32-A34 VanDerWaalsContact C-N 3.26Å; C32-A34 HydrophobicContact CB-CB 4.48Å; C32-A34 PolarHBondContact O-N 3.39Å; A34-H69 WeakPolarHBondContact O-CB 3.25Å; A34-H69 PolarHBondContact O-N 2.98Å; A34-G70 PolarHBondContact O-N 3.1Å
35M88.8Confident89.1Confident96 Ų9639 Ų3947%0.47327%0.266SS..EExtended strand (participates in β ladder)trans-137.7132.7179.7-74-161.9-76.100111.8D27 V28 S29 G70D27-M35 VanDerWaalsContact OD1-O 3.08Å; V28-M35 HydrophobicContact CG2-CB 3.78Å; V28-M35 WeakPolarHBondContact CG2-O 3.15Å; V28-M35 PolarHBondContact N-O 2.92Å; S29-M35 PolarHBondContact N-O 3.44Å; M35-G70 WeakPolarHBondContact CA-O 3.44Å
36F91.4Very high88.9Confident0 Ų042.2 Ų42.20%029%0.294CS..EExtended strand (participates in β ladder)trans-125.6140.7178.7-60.3-94.1000110.7R5 E6 I9 V25 S26 D27 G33 M68 G70 L71 T72R5-F36 HydrophobicContact CB-CE1 4.04Å; R5-F36 HydrophobicContact CB-CZ 3.69Å; R5-F36 HydrophobicContact CG-CZ 4.39Å; E6-F36 HydrophobicContact CG-CD1 3.95Å; E6-F36 HydrophobicContact CG-CE1 3.85Å; I9-F36 HydrophobicContact CD1-CD1 4.05Å; I9-F36 HydrophobicContact CD1-CD2 4.1Å; I9-F36 HydrophobicContact CD1-CE1 4.2Å; I9-F36 HydrophobicContact CD1-CE2 4.2Å; I9-F36 HydrophobicContact CD1-CG 3.98Å; I9-F36 HydrophobicContact CD1-CZ 4.26Å; V25-F36 HydrophobicContact CG1-CB 4.49Å; V25-F36 HydrophobicContact CG1-CD1 4.23Å; S26-F36 CarbonylContact O-C 3.56Å; S26-F36 WeakPolarHBondContact O-CA 3.44Å; D27-F36 HydrophobicContact CB-CD1 4.01Å; D27-F36 HydrophobicContact CB-CE1 3.87Å; G33-F36 VanDerWaalsContact CA-CZ 3.44Å; G33-F36 VanDerWaalsContact O-CE2 3.23Å; G33-F36 WeakPolarHBondContact O-CE2 3.3Å; F36-M68 HydrophobicContact CB-CE 3.9Å; F36-M68 HydrophobicContact CD2-CE 3.26Å; F36-M68 HydrophobicContact CD2-CG 4.36Å; F36-M68 HydrophobicContact CD2-SD 4.35Å; F36-M68 HydrophobicContact CE2-CE 4.04Å; F36-M68 HydrophobicContact CE2-CG 4.28Å; F36-M68 HydrophobicContact CG-CE 3.89Å; F36-G70 PolarHBondContact N-O 2.53Å; F36-L71 WeakPolarHBondContact O-CA 3.5Å; F36-T72 PolarHBondContact O-N 2.93Å
37E93.2Very high88.9Confident53 Ų5344.7 Ų44.725%0.24831%0.311CS..EExtended strand (participates in β ladder)trans-99.6127.7166.5-175.8169.1-142.100109.2V25 S26 V28 T72 K74V25-E37 CarbonylContact C-O 3.59Å; V25-E37 WeakPolarHBondContact CA-O 3.28Å; S26-E37 PolarHBondContact N-O 2.97Å; S26-E37 PolarHBondContact O-N 2.91Å; V28-E37 HydrophobicContact CG1-CB 3.85Å; E37-T72 WeakPolarHBondContact CA-O 3.47Å; E37-T72 HydrophobicContact CG-CG2 4.4Å; E37-K74 WeakPolarHBondContact OE1-CD 3.33Å; E37-K74 WeakPolarHBondContact OE1-CE 3.39Å; E37-K74 IonicContact OE1-NZ 2.65Å; E37-K74 PolarHBondContact OE1-NZ 2.78Å
38I94.3Very high89.1Confident0 Ų046 Ų460%032%0.318CS..EExtended strand (participates in β ladder)trans-119125.4-178.9-65.8160.1000107.9I9 L13 S24 V25 I40 V57 L61 T72 K74I9-I38 HydrophobicContact CG2-CD1 4.12Å; I9-I38 HydrophobicContact CG2-CG1 4.37Å; L13-I38 HydrophobicContact CD1-CD1 4.37Å; L13-I38 HydrophobicContact CD1-CG1 4.27Å; L13-I38 HydrophobicContact CD1-CG2 3.46Å; L13-I38 VanDerWaalsContact CD1-CG2 3.46Å; S24-I38 WeakPolarHBondContact O-CA 3.42Å; V25-I38 HydrophobicContact CG1-CG1 4.28Å; V25-I38 HydrophobicContact CG2-CG1 4.34Å; I38-I40 HydrophobicContact CG2-CD1 3.89Å; I38-I40 HydrophobicContact CG2-CG1 3.76Å; I38-V57 HydrophobicContact CG2-CG1 4.29Å; I38-L61 HydrophobicContact CD1-CD1 3.32Å; I38-T72 PolarHBondContact N-O 3.42Å; I38-K74 PolarHBondContact O-N 2.99Å
39V95.7Very high89.3Confident40 Ų4045.2 Ų45.224%0.24232%0.315CS..EExtended strand (participates in β ladder)trans-118.1121.2174.2-173.70000108.7L22 V23 S24 K74L22-V39 HydrophobicContact CD2-CG1 4.31Å; V23-V39 WeakPolarHBondContact CA-O 3.45Å; S24-V39 PolarHBondContact N-O 3.42Å; S24-V39 PolarHBondContact O-N 3.39Å; V39-K74 WeakPolarHBondContact CA-O 3.47Å; V39-K74 HydrophobicContact CG2-CB 4.27Å; V39-K74 HydrophobicContact CG2-CD 4.42Å
40I96Very high89.6Confident0 Ų048.1 Ų48.10%033%0.332CS..EExtended strand (participates in β ladder)trans-128.1125.5177.2-54.5176.2000109.3L13 F17 A20 L22 V23 I38 A42 F45 V57 K74 T75 K76L13-I40 HydrophobicContact CB-CD1 4.39Å; L13-I40 HydrophobicContact CD1-CD1 3.98Å; L13-I40 HydrophobicContact CD1-CG1 4.48Å; L13-I40 HydrophobicContact CD2-CD1 3.74Å; L13-I40 HydrophobicContact CG-CD1 4.25Å; F17-I40 HydrophobicContact CD2-CD1 3.9Å; F17-I40 HydrophobicContact CE2-CD1 3.91Å; A20-I40 HydrophobicContact CB-CG2 4.09Å; L22-I40 CarbonylContact O-C 3.59Å; L22-I40 VanDerWaalsContact O-CA 3.32Å; L22-I40 WeakPolarHBondContact O-CA 3.34Å; V23-I40 HydrophobicContact CG2-CG2 4.38Å; I38-I40 HydrophobicContact CG2-CD1 3.89Å; I38-I40 HydrophobicContact CG2-CG1 3.76Å; I40-A42 HydrophobicContact CG2-CB 4.35Å; I40-F45 HydrophobicContact CB-CE2 3.9Å; I40-F45 HydrophobicContact CB-CZ 4.5Å; I40-F45 HydrophobicContact CG2-CE2 3.52Å; I40-F45 HydrophobicContact CG2-CZ 3.93Å; I40-V57 HydrophobicContact CD1-CG1 4.05Å; I40-V57 HydrophobicContact CD1-CG2 3.66Å; I40-K74 PolarHBondContact N-O 3.26Å; I40-T75 CarbonylContact O-C 3.55Å; I40-T75 WeakPolarHBondContact O-CA 3.15Å; I40-K76 PolarHBondContact O-N 3.24Å
41E95.5Very high90.2Very high53 Ų5349.4 Ų49.425%0.24832%0.319CS..EExtended strand (participates in β ladder)trans-114.1114.9172.1-165.4172-135.400108.3A20 R21 L22 K76A20-E41 CarbonylContact C-O 3.53Å; A20-E41 WeakPolarHBondContact CA-O 3.38Å; R21-E41 PolarHBondContact N-O 3.43Å; L22-E41 HydrophobicContact CB-CB 3.8Å; L22-E41 PolarHBondContact N-O 3.13Å; L22-E41 VanDerWaalsContact N-O 3.16Å; L22-E41 PolarHBondContact O-N 3.45Å; E41-K76 CarbonylContact C-O 3.59Å; E41-K76 VanDerWaalsContact CA-O 3.28Å; E41-K76 WeakPolarHBondContact CA-O 3.4Å; E41-K76 HydrophobicContact CB-CB 4.3Å; E41-K76 HydrophobicContact CG-CB 3.89Å
42A94.7Very high91.1Very high0 Ų051.6 Ų51.60%032%0.315CS..EExtended strand (participates in β ladder)trans-147.5131-176.200000110.7A20 I40 E44 F45 K76A20-A42 HydrophobicContact CB-CB 3.95Å; I40-A42 HydrophobicContact CG2-CB 4.35Å; A42-E44 HydrophobicContact CB-CG 3.93Å; A42-E44 PolarHBondContact O-N 3.32Å; A42-E44 VanDerWaalsContact O-N 3.1Å; A42-F45 HydrophobicContact CB-CD2 4.01Å; A42-F45 HydrophobicContact CB-CE2 4.06Å; A42-F45 HydrophobicContact CB-CG 4.28Å; A42-F45 HydrophobicContact CB-CZ 4.36Å; A42-F45 VanDerWaalsContact O-CB 3.25Å; A42-F45 WeakPolarHBondContact O-CB 3.34Å; A42-F45 PolarHBondContact O-N 3.1Å; A42-K76 PolarHBondContact N-O 2.69Å
43G92.4Very high91.9Very high50 Ų5047.6 Ų47.652%0.51529%0.287SS..G310 helixtrans-60.8-25.4-177.500000114F45 A46G43-F45 PolarHBondContact O-N 3.44Å; G43-A46 VanDerWaalsContact O-CB 3.25Å; G43-A46 WeakPolarHBondContact O-CB 3.33Å; G43-A46 PolarHBondContact O-N 2.99Å; G43-A46 VanDerWaalsContact O-N 3.14Å
44E90.1Very high92.6Very high72 Ų7249.9 Ų49.934%0.33630%0.296SS..G310 helixtrans-60.6-28.4173.863.7-179.982.200112.8A42 A46 S47A42-E44 HydrophobicContact CB-CG 3.93Å; A42-E44 PolarHBondContact O-N 3.32Å; A42-E44 VanDerWaalsContact O-N 3.1Å; E44-A46 PolarHBondContact O-N 3.39Å; E44-S47 PolarHBondContact O-N 3.31Å; E44-S47 PolarHBondContact O-OG 3.35Å
45F93.2Very high93.1Very high1 Ų156.7 Ų56.70%0.00432%0.316CS..G310 helixtrans-69.4-18.3178.8-66.3-14.2000112.8F17 I40 A42 G43 S47 L48 Q53 V57 T75 K76 A77F17-F45 AromaticContact CD1-CE1 3.95Å; F17-F45 HydrophobicContact CD1-CE1 3.95Å; F17-F45 AromaticContact CD1-CZ 3.87Å; F17-F45 HydrophobicContact CD1-CZ 3.87Å; F17-F45 AromaticContact CE1-CE1 3.62Å; F17-F45 HydrophobicContact CE1-CE1 3.62Å; F17-F45 AromaticContact CE1-CZ 3.67Å; F17-F45 HydrophobicContact CE1-CZ 3.67Å; F17-F45 HydrophobicContact CG-CZ 4.47Å; F17-F45 HydrophobicContact CZ-CE1 4.38Å; F17-F45 HydrophobicContact CZ-CZ 4.11Å; I40-F45 HydrophobicContact CB-CE2 3.9Å; I40-F45 HydrophobicContact CB-CZ 4.5Å; I40-F45 HydrophobicContact CG2-CE2 3.52Å; I40-F45 HydrophobicContact CG2-CZ 3.93Å; A42-F45 HydrophobicContact CB-CD2 4.01Å; A42-F45 HydrophobicContact CB-CE2 4.06Å; A42-F45 HydrophobicContact CB-CG 4.28Å; A42-F45 HydrophobicContact CB-CZ 4.36Å; A42-F45 VanDerWaalsContact O-CB 3.25Å; A42-F45 WeakPolarHBondContact O-CB 3.34Å; A42-F45 PolarHBondContact O-N 3.1Å; G43-F45 PolarHBondContact O-N 3.44Å; F45-S47 PolarHBondContact O-N 3.48Å; F45-S47 VanDerWaalsContact O-N 3.17Å; F45-L48 HydrophobicContact CD1-CD1 4.19Å; F45-L48 PolarHBondContact O-N 2.96Å; F45-L48 VanDerWaalsContact O-O 3.09Å; F45-Q53 HydrophobicContact CB-CG 3.8Å; F45-Q53 HydrophobicContact CD1-CB 4.3Å; F45-Q53 HydrophobicContact CD1-CG 3.88Å; F45-Q53 HydrophobicContact CD2-CG 4.41Å; F45-Q53 HydrophobicContact CG-CB 4.34Å; F45-Q53 HydrophobicContact CG-CG 3.78Å; F45-Q53 PolarHBondContact O-NE2 3.14Å; F45-V57 HydrophobicContact CZ-CG2 4.28Å; F45-T75 HydrophobicContact CD2-CG2 4.09Å; F45-T75 HydrophobicContact CE2-CG2 3.63Å; F45-T75 HydrophobicContact CZ-CG2 4.24Å; F45-K76 WeakPolarHBondContact CD2-O 3.38Å; F45-A77 HydrophobicContact CB-CB 4.29Å
46A90.5Very high93.3Very high77 Ų7753.6 Ų53.664%0.63631%0.306SS*.G310 helixtrans-58-30.5175.400000112.7G43 E44 A77G43-A46 VanDerWaalsContact O-CB 3.25Å; G43-A46 WeakPolarHBondContact O-CB 3.33Å; G43-A46 PolarHBondContact O-N 2.99Å; G43-A46 VanDerWaalsContact O-N 3.14Å; E44-A46 PolarHBondContact O-N 3.39Å; A46-A77 VanDerWaalsContact CA-CB 3.42Å; A46-A77 HydrophobicContact CB-CB 3.78Å; A46-A77 VanDerWaalsContact N-CB 3.3Å
47S91.9Very high93.4Very high101 Ų10153.6 Ų53.671%0.70631%0.306SS*.G310 helixtrans-91.6-6.1-17969.20000114.1E44 F45E44-S47 PolarHBondContact O-N 3.31Å; E44-S47 PolarHBondContact O-OG 3.35Å; F45-S47 PolarHBondContact O-N 3.48Å; F45-S47 VanDerWaalsContact O-N 3.17Å
48L92.9Very high93.4Very high54 Ų5456.3 Ų56.328%0.28332%0.317SS..SBendtrans-112.4142.6-173.4-64.4179.6000110.9F45 Q52 Q53F45-L48 HydrophobicContact CD1-CD1 4.19Å; F45-L48 PolarHBondContact O-N 2.96Å; F45-L48 VanDerWaalsContact O-O 3.09Å; L48-Q52 HydrophobicContact CB-CB 4.05Å; L48-Q52 HydrophobicContact CD2-CB 4.24Å; L48-Q53 HydrophobicContact CB-CG 3.77Å; L48-Q53 PolarHBondContact O-NE2 3.39Å
49S94.5Very high93.4Very high59 Ų5964.4 Ų64.441%0.41335%0.352SS..  trans-65.2153.816862.60000111.2L51 Q52 Q53S49-L51 PolarHBondContact O-N 2.87Å; S49-L51 VanDerWaalsContact O-N 3.1Å; S49-Q52 WeakPolarHBondContact O-CA 3.32Å; S49-Q52 WeakPolarHBondContact O-CB 3.34Å; S49-Q52 PolarHBondContact O-N 2.88Å; S49-Q52 VanDerWaalsContact OG-CG 3.31Å; S49-Q52 WeakPolarHBondContact OG-CG 3.37Å; S49-Q52 PolarHBondContact OG-N 3.06Å; S49-Q52 PolarHBondContact OG-OE1 3.18Å; S49-Q53 WeakPolarHBondContact O-CG 3.28Å; S49-Q53 PolarHBondContact O-N 2.98Å
50V91.9Very high93.2Very high92 Ų9263.3 Ų63.356%0.55835%0.347SS*.Hα-helixtrans-51-39.1176.91790000111.9Q53 H54V50-Q53 PolarHBondContact O-N 2.94Å; V50-H54 WeakPolarHBondContact O-CB 3.05Å; V50-H54 PolarHBondContact O-CD2 2.65Å; V50-H54 VanDerWaalsContact O-CD2 3.26Å; V50-H54 PolarHBondContact O-N 3.01Å
51L93.2Very high93Very high108 Ų10863.4 Ų63.457%0.56535%0.347SS*.Hα-helixtrans-65.1-41.4176.1-177.163.9000112.5S49 R55S49-L51 PolarHBondContact O-N 2.87Å; S49-L51 VanDerWaalsContact O-N 3.1Å; L51-R55 WeakPolarHBondContact O-CB 3.32Å; L51-R55 VanDerWaalsContact O-CG 3.26Å; L51-R55 WeakPolarHBondContact O-CG 3.48Å; L51-R55 PolarHBondContact O-N 3.39Å
52Q94.2Very high92.7Very high98 Ų9869.3 Ų69.346%0.45837%0.367SS..Hα-helixtrans-66.2-41.8175.9-75.3167.5-52.900111.5L48 S49 R55 A56L48-Q52 HydrophobicContact CB-CB 4.05Å; L48-Q52 HydrophobicContact CD2-CB 4.24Å; S49-Q52 WeakPolarHBondContact O-CA 3.32Å; S49-Q52 WeakPolarHBondContact O-CB 3.34Å; S49-Q52 PolarHBondContact O-N 2.88Å; S49-Q52 VanDerWaalsContact OG-CG 3.31Å; S49-Q52 WeakPolarHBondContact OG-CG 3.37Å; S49-Q52 PolarHBondContact OG-N 3.06Å; S49-Q52 PolarHBondContact OG-OE1 3.18Å; Q52-R55 PolarHBondContact O-N 3.31Å; Q52-A56 PolarHBondContact O-N 3.44Å
53Q94.7Very high92.4Very high15 Ų1574.3 Ų74.37%0.0739%0.394CS..Hα-helixtrans-58.6-51.7174.7-60.6169.414.200110.2F45 L48 S49 V50 R55 A56 V57 T75F45-Q53 HydrophobicContact CB-CG 3.8Å; F45-Q53 HydrophobicContact CD1-CB 4.3Å; F45-Q53 HydrophobicContact CD1-CG 3.88Å; F45-Q53 HydrophobicContact CD2-CG 4.41Å; F45-Q53 HydrophobicContact CG-CB 4.34Å; F45-Q53 HydrophobicContact CG-CG 3.78Å; F45-Q53 PolarHBondContact O-NE2 3.14Å; L48-Q53 HydrophobicContact CB-CG 3.77Å; L48-Q53 PolarHBondContact O-NE2 3.39Å; S49-Q53 WeakPolarHBondContact O-CG 3.28Å; S49-Q53 PolarHBondContact O-N 2.98Å; V50-Q53 PolarHBondContact O-N 2.94Å; Q53-R55 VanDerWaalsContact C-N 3.29Å; Q53-R55 PolarHBondContact O-N 2.95Å; Q53-A56 WeakPolarHBondContact O-CB 3.5Å; Q53-A56 PolarHBondContact O-N 3.23Å; Q53-A56 VanDerWaalsContact O-N 3.09Å; Q53-V57 WeakPolarHBondContact O-CG2 3.37Å; Q53-V57 PolarHBondContact O-N 2.87Å; Q53-T75 HydrophobicContact CB-CG2 3.99Å; Q53-T75 WeakPolarHBondContact CB-OG1 3.22Å; Q53-T75 PolarHBondContact OE1-OG1 3.3Å
54H93.2Very high92Very high54 Ų5474 Ų7425%0.2538%0.38CS..Hα-helixtrans-60.3-37.8177-74.8-156.3000112.3V50 K58 I73 T75V50-H54 WeakPolarHBondContact O-CB 3.05Å; V50-H54 PolarHBondContact O-CD2 2.65Å; V50-H54 VanDerWaalsContact O-CD2 3.26Å; V50-H54 PolarHBondContact O-N 3.01Å; H54-K58 WeakPolarHBondContact O-CB 3.38Å; H54-K58 VanDerWaalsContact O-CG 3.3Å; H54-K58 WeakPolarHBondContact O-CG 3.31Å; H54-K58 PolarHBondContact O-N 2.85Å; H54-I73 PolarHBondContact CE1-O 2.81Å; H54-I73 PolarHBondContact NE2-O 2.87Å; H54-T75 PolarHBondContact CD2-OG1 2.81Å
55R93.4Very high91.3Very high168 Ų16872.7 Ų72.763%0.63437%0.374SS*.Hα-helixtrans-65.3-40.4174.9-79.8178.3176.4-165.90.3111.9L51 Q52 Q53 K58 K59L51-R55 WeakPolarHBondContact O-CB 3.32Å; L51-R55 VanDerWaalsContact O-CG 3.26Å; L51-R55 WeakPolarHBondContact O-CG 3.48Å; L51-R55 PolarHBondContact O-N 3.39Å; Q52-R55 PolarHBondContact O-N 3.31Å; Q53-R55 VanDerWaalsContact C-N 3.29Å; Q53-R55 PolarHBondContact O-N 2.95Å; R55-K58 PolarHBondContact O-N 3.36Å; R55-K59 VanDerWaalsContact O-CB 3.24Å; R55-K59 WeakPolarHBondContact O-CB 3.32Å; R55-K59 PolarHBondContact O-N 2.64Å
56A93.3Very high90.4Very high31 Ų3179.8 Ų79.826%0.25641%0.405SS..Hα-helixtrans-61.7-47.9176.500000110.8F17 Q52 Q53 K59 A60F17-A56 HydrophobicContact CE1-CB 4.12Å; F17-A56 HydrophobicContact CZ-CB 4.02Å; Q52-A56 PolarHBondContact O-N 3.44Å; Q53-A56 WeakPolarHBondContact O-CB 3.5Å; Q53-A56 PolarHBondContact O-N 3.23Å; Q53-A56 VanDerWaalsContact O-N 3.09Å; A56-K59 WeakPolarHBondContact O-CB 3.41Å; A56-K59 PolarHBondContact O-N 3.25Å; A56-K59 VanDerWaalsContact O-N 3.17Å; A56-A60 PolarHBondContact O-N 2.91Å
57V93.8Very high89.5Confident0 Ų081.7 Ų81.70%041%0.405CS..Hα-helixtrans-62-46.7177.6179.30000111.7L13 F17 I38 I40 F45 Q53 K59 A60 L61 I73 T75L13-V57 HydrophobicContact CD2-CG1 4.02Å; F17-V57 HydrophobicContact CE2-CG2 4.02Å; F17-V57 HydrophobicContact CZ-CG2 3.92Å; I38-V57 HydrophobicContact CG2-CG1 4.29Å; I40-V57 HydrophobicContact CD1-CG1 4.05Å; I40-V57 HydrophobicContact CD1-CG2 3.66Å; F45-V57 HydrophobicContact CZ-CG2 4.28Å; Q53-V57 WeakPolarHBondContact O-CG2 3.37Å; Q53-V57 PolarHBondContact O-N 2.87Å; V57-K59 VanDerWaalsContact C-N 3.26Å; V57-K59 PolarHBondContact O-N 3.48Å; V57-A60 PolarHBondContact O-N 2.64Å; V57-L61 HydrophobicContact CG1-CD1 4.34Å; V57-L61 PolarHBondContact O-N 3.11Å; V57-L61 VanDerWaalsContact O-N 3.13Å; V57-I73 HydrophobicContact CB-CD1 4.07Å; V57-I73 HydrophobicContact CB-CG2 4.13Å; V57-I73 HydrophobicContact CG1-CD1 3.79Å; V57-I73 HydrophobicContact CG1-CG1 3.92Å; V57-I73 HydrophobicContact CG1-CG2 4.02Å; V57-I73 HydrophobicContact CG2-CG2 4.17Å; V57-T75 HydrophobicContact CG2-CG2 3.92Å
58K92.8Very high88.5Confident110 Ų11077.9 Ų77.948%0.47838%0.376SS..Hα-helixtrans-62.4-34.1175.5-73-178-171-172.20112.7H54 R55 L61 R62 I65 L71 I73H54-K58 WeakPolarHBondContact O-CB 3.38Å; H54-K58 VanDerWaalsContact O-CG 3.3Å; H54-K58 WeakPolarHBondContact O-CG 3.31Å; H54-K58 PolarHBondContact O-N 2.85Å; R55-K58 PolarHBondContact O-N 3.36Å; K58-L61 CarbonylContact O-C 3.42Å; K58-L61 PolarHBondContact O-N 3.11Å; K58-R62 WeakPolarHBondContact O-CA 3.38Å; K58-R62 PolarHBondContact O-N 2.79Å; K58-I65 HydrophobicContact CB-CD1 4.1Å; K58-I65 HydrophobicContact CG-CD1 4.2Å; K58-I65 WeakPolarHBondContact O-CD1 3.38Å; K58-L71 HydrophobicContact CG-CD1 4.37Å; K58-I73 HydrophobicContact CD-CD1 4.47Å; K58-I73 HydrophobicContact CG-CD1 3.62Å
59K92.8Very high87.8Confident170 Ų17083.7 Ų83.774%0.73940%0.401SS*.Hα-helixtrans-67.9-43.2177.5-174-177.2177.4-171.20110.9R55 A56 V57 L61 R62R55-K59 VanDerWaalsContact O-CB 3.24Å; R55-K59 WeakPolarHBondContact O-CB 3.32Å; R55-K59 PolarHBondContact O-N 2.64Å; A56-K59 WeakPolarHBondContact O-CB 3.41Å; A56-K59 PolarHBondContact O-N 3.25Å; A56-K59 VanDerWaalsContact O-N 3.17Å; V57-K59 VanDerWaalsContact C-N 3.26Å; V57-K59 PolarHBondContact O-N 3.48Å; K59-L61 PolarHBondContact O-N 3.23Å; K59-R62 WeakPolarHBondContact O-CB 3.48Å; K59-R62 PolarHBondContact O-N 2.8Å
60A93Very high87.2Confident17 Ų1781.9 Ų81.914%0.1439%0.392CS..Hα-helixtrans-59-37.6175.500000111.9I12 L13 N16 F17 A56 V57I12-A60 WeakPolarHBondContact CG2-O 3.44Å; L13-A60 HydrophobicContact CD2-CB 4.32Å; N16-A60 HydrophobicContact CB-CB 3.73Å; N16-A60 VanDerWaalsContact CG-CB 3.46Å; F17-A60 HydrophobicContact CE2-CB 4.22Å; A56-A60 PolarHBondContact O-N 2.91Å; V57-A60 PolarHBondContact O-N 2.64Å
61L91.6Very high87.1Confident1 Ų179.3 Ų79.31%0.00538%0.375CS..THydrogen-bonded Turntrans-96.612.4-178.2-62.5176.5000114.1I9 I12 L13 I38 V57 K58 K59 D63 E64 I65I9-L61 HydrophobicContact CB-CD2 4.42Å; I9-L61 HydrophobicContact CG2-CD1 3.92Å; I9-L61 HydrophobicContact CG2-CD2 3.75Å; I12-L61 HydrophobicContact CB-CD2 4.23Å; I12-L61 HydrophobicContact CG2-CD2 3.96Å; L13-L61 HydrophobicContact CD1-CD1 4.4Å; L13-L61 HydrophobicContact CD2-CD1 3.94Å; L13-L61 HydrophobicContact CD2-CD2 4.07Å; L13-L61 HydrophobicContact CD2-CG 3.85Å; L13-L61 HydrophobicContact CG-CD1 4.35Å; L13-L61 HydrophobicContact CG-CD2 4.12Å; L13-L61 HydrophobicContact CG-CG 4.38Å; I38-L61 HydrophobicContact CD1-CD1 3.32Å; V57-L61 HydrophobicContact CG1-CD1 4.34Å; V57-L61 PolarHBondContact O-N 3.11Å; V57-L61 VanDerWaalsContact O-N 3.13Å; K58-L61 CarbonylContact O-C 3.42Å; K58-L61 PolarHBondContact O-N 3.11Å; K59-L61 PolarHBondContact O-N 3.23Å; L61-D63 PolarHBondContact O-N 2.75Å; L61-E64 PolarHBondContact O-N 3.2Å; L61-I65 HydrophobicContact CB-CD1 3.62Å; L61-I65 HydrophobicContact CB-CG1 3.74Å; L61-I65 WeakPolarHBondContact O-CG1 3.35Å; L61-I65 PolarHBondContact O-N 3.06Å
62R89.7Confident87Confident177 Ų17777.6 Ų77.667%0.66837%0.369SS*.Hα-helixtrans-53.1-39-169.7-177.8-176.5-179.9-167.3-0.4113.8K58 K59K58-R62 WeakPolarHBondContact O-CA 3.38Å; K58-R62 PolarHBondContact O-N 2.79Å; K59-R62 WeakPolarHBondContact O-CB 3.48Å; K59-R62 PolarHBondContact O-N 2.8Å
63D86.7Confident87Confident106 Ų10673.6 Ų73.657%0.56735%0.351SS*.Hα-helixtrans-75.4-30.1-179.3-66.7-47000112.5L61 K66L61-D63 PolarHBondContact O-N 2.75Å; D63-K66 IonicContact OD1-NZ 3.39Å; D63-K66 PolarHBondContact OD1-NZ 3.1Å
64E83.8Confident87Confident44 Ų4478.2 Ų78.221%0.20637%0.371CS..Hα-helixtrans-83.9-32.2-178.1-107.650.1169.600112.1K8 I9 I12 L61 K66 D67 M68K8-E64 VanDerWaalsContact CD-OE1 3.32Å; K8-E64 WeakPolarHBondContact CD-OE1 3.36Å; K8-E64 WeakPolarHBondContact CE-OE1 3.13Å; K8-E64 IonicContact NZ-OE1 2.64Å; K8-E64 PolarHBondContact NZ-OE1 3.31Å; I9-E64 HydrophobicContact CG1-CG 4.5Å; I12-E64 HydrophobicContact CD1-CG 4.22Å; L61-E64 PolarHBondContact O-N 3.2Å; E64-K66 PolarHBondContact O-N 3.28Å; E64-D67 PolarHBondContact O-N 3.44Å; E64-M68 WeakPolarHBondContact O-CG 3.23Å
65I75.8Confident87Confident43 Ų4376.7 Ų76.722%0.22137%0.365CS..Hα-helixtrans-67.3-24.7-179.7-62.2167.6000112K58 L61 D67 M68 L71K58-I65 HydrophobicContact CB-CD1 4.1Å; K58-I65 HydrophobicContact CG-CD1 4.2Å; K58-I65 WeakPolarHBondContact O-CD1 3.38Å; L61-I65 HydrophobicContact CB-CD1 3.62Å; L61-I65 HydrophobicContact CB-CG1 3.74Å; L61-I65 WeakPolarHBondContact O-CG1 3.35Å; L61-I65 PolarHBondContact O-N 3.06Å; I65-D67 PolarHBondContact O-N 2.95Å; I65-D67 VanDerWaalsContact O-N 3.14Å; I65-M68 HydrophobicContact CG1-SD 4.27Å; I65-M68 PolarHBondContact O-N 2.86Å; I65-L71 HydrophobicContact CB-CD2 4.11Å; I65-L71 HydrophobicContact CD1-CD2 3.71Å; I65-L71 HydrophobicContact CG1-CD2 3.44Å; I65-L71 VanDerWaalsContact CG1-CD2 3.44Å; I65-L71 HydrophobicContact CG2-CD2 3.55Å
66K76Confident87Confident150 Ų15075.1 Ų75.165%0.65236%0.363SS*.THydrogen-bonded Turntrans-56.3-32.6179.3-73.4174.6-176.6159.20112.6D63 E64D63-K66 IonicContact OD1-NZ 3.39Å; D63-K66 PolarHBondContact OD1-NZ 3.1Å; E64-K66 PolarHBondContact O-N 3.28Å
67D70Confident86.8Confident118 Ų11877.4 Ų77.463%0.63138%0.381SS*.THydrogen-bonded Turntrans-99.2-2-179.6-64.1-27.2000113E64 I65E64-D67 PolarHBondContact O-N 3.44Å; I65-D67 PolarHBondContact O-N 2.95Å; I65-D67 VanDerWaalsContact O-N 3.14Å
68M71.4Confident86.4Confident21 Ų2181.3 Ų81.310%0.10340%0.4CS..  trans-95.2129.9-178.2-67.4165.97200110.9I9 F36 E64 I65 L71I9-M68 HydrophobicContact CD1-CE 4.01Å; I9-M68 HydrophobicContact CD1-SD 4.13Å; F36-M68 HydrophobicContact CB-CE 3.9Å; F36-M68 HydrophobicContact CD2-CE 3.26Å; F36-M68 HydrophobicContact CD2-CG 4.36Å; F36-M68 HydrophobicContact CD2-SD 4.35Å; F36-M68 HydrophobicContact CE2-CE 4.04Å; F36-M68 HydrophobicContact CE2-CG 4.28Å; F36-M68 HydrophobicContact CG-CE 3.89Å; E64-M68 WeakPolarHBondContact O-CG 3.23Å; I65-M68 HydrophobicContact CG1-SD 4.27Å; I65-M68 PolarHBondContact O-N 2.86Å; M68-L71 HydrophobicContact CE-CB 3.93Å; M68-L71 HydrophobicContact CE-CD2 4.14Å
69H77.6Confident86.1Confident175 Ų17579.7 Ų79.781%0.8140%0.396SS*.SBendtrans-69.9-34.9176.2-79.973.4000112.1A34A34-H69 WeakPolarHBondContact O-CB 3.25Å; A34-H69 PolarHBondContact O-N 2.98Å
70G82.6Confident85.7Confident21 Ų2174.7 Ų74.722%0.21638%0.377CS..EExtended strand (participates in β ladder)trans-161.1156-178.400000112.8A34 M35 F36A34-G70 PolarHBondContact O-N 3.1Å; M35-G70 WeakPolarHBondContact CA-O 3.44Å; F36-G70 PolarHBondContact N-O 2.53Å
71L89Confident85.3Confident39 Ų3978.1 Ų78.120%0.20439%0.391CS..EExtended strand (participates in β ladder)trans-149.4135.8176.155.4103.5000110.5F36 K58 I65 M68 I73F36-L71 WeakPolarHBondContact O-CA 3.5Å; K58-L71 HydrophobicContact CG-CD1 4.37Å; I65-L71 HydrophobicContact CB-CD2 4.11Å; I65-L71 HydrophobicContact CD1-CD2 3.71Å; I65-L71 HydrophobicContact CG1-CD2 3.44Å; I65-L71 VanDerWaalsContact CG1-CD2 3.44Å; I65-L71 HydrophobicContact CG2-CD2 3.55Å; M68-L71 HydrophobicContact CE-CB 3.93Å; M68-L71 HydrophobicContact CE-CD2 4.14Å; L71-I73 HydrophobicContact CD1-CD1 3.28Å; L71-I73 HydrophobicContact CD1-CG1 3.52Å
72T91.7Very high84.9Confident71 Ų7182.9 Ų82.944%0.43642%0.415SS..EExtended strand (participates in β ladder)trans-104.5118.1173.9-62.30000107.6F36 E37 I38F36-T72 PolarHBondContact O-N 2.93Å; E37-T72 WeakPolarHBondContact CA-O 3.47Å; E37-T72 HydrophobicContact CG-CG2 4.4Å; I38-T72 PolarHBondContact N-O 3.42Å
73I93.9Very high84.5Confident15 Ų1576.7 Ų76.78%0.07740%0.399CS..EExtended strand (participates in β ladder)trans-105.6127.2177.3-63.9162.1000108H54 V57 K58 L71 T75H54-I73 PolarHBondContact CE1-O 2.81Å; H54-I73 PolarHBondContact NE2-O 2.87Å; V57-I73 HydrophobicContact CB-CD1 4.07Å; V57-I73 HydrophobicContact CB-CG2 4.13Å; V57-I73 HydrophobicContact CG1-CD1 3.79Å; V57-I73 HydrophobicContact CG1-CG1 3.92Å; V57-I73 HydrophobicContact CG1-CG2 4.02Å; V57-I73 HydrophobicContact CG2-CG2 4.17Å; K58-I73 HydrophobicContact CD-CD1 4.47Å; K58-I73 HydrophobicContact CG-CD1 3.62Å; L71-I73 HydrophobicContact CD1-CD1 3.28Å; L71-I73 HydrophobicContact CD1-CG1 3.52Å; I73-T75 HydrophobicContact CG2-CG2 3.75Å
74K95Very high84.4Confident112 Ų11274.6 Ų74.649%0.48739%0.387SS..EExtended strand (participates in β ladder)trans-119.9114.2169.7-70.7176.5175.11670108.3E37 I38 V39 I40E37-K74 WeakPolarHBondContact OE1-CD 3.33Å; E37-K74 WeakPolarHBondContact OE1-CE 3.39Å; E37-K74 IonicContact OE1-NZ 2.65Å; E37-K74 PolarHBondContact OE1-NZ 2.78Å; I38-K74 PolarHBondContact O-N 2.99Å; V39-K74 WeakPolarHBondContact CA-O 3.47Å; V39-K74 HydrophobicContact CG2-CB 4.27Å; V39-K74 HydrophobicContact CG2-CD 4.42Å; I40-K74 PolarHBondContact N-O 3.26Å
75T94.2Very high84.4Confident21 Ų2176.9 Ų76.913%0.12940%0.4CS..EExtended strand (participates in β ladder)trans-110.4140.8177.748.30000110.7I40 F45 Q53 H54 V57 I73I40-T75 CarbonylContact O-C 3.55Å; I40-T75 WeakPolarHBondContact O-CA 3.15Å; F45-T75 HydrophobicContact CD2-CG2 4.09Å; F45-T75 HydrophobicContact CE2-CG2 3.63Å; F45-T75 HydrophobicContact CZ-CG2 4.24Å; Q53-T75 HydrophobicContact CB-CG2 3.99Å; Q53-T75 WeakPolarHBondContact CB-OG1 3.22Å; Q53-T75 PolarHBondContact OE1-OG1 3.3Å; H54-T75 PolarHBondContact CD2-OG1 2.81Å; V57-T75 HydrophobicContact CG2-CG2 3.92Å; I73-T75 HydrophobicContact CG2-CG2 3.75Å
76K92.5Very high85.2Confident135 Ų13579.8 Ų79.859%0.58742%0.415SS*.EExtended strand (participates in β ladder)trans-133.7147.4173.1-77.1-174176-177.60110I40 E41 A42 F45I40-K76 PolarHBondContact O-N 3.24Å; E41-K76 CarbonylContact C-O 3.59Å; E41-K76 VanDerWaalsContact CA-O 3.28Å; E41-K76 WeakPolarHBondContact CA-O 3.4Å; E41-K76 HydrophobicContact CB-CB 4.3Å; E41-K76 HydrophobicContact CG-CB 3.89Å; A42-K76 PolarHBondContact N-O 2.69Å; F45-K76 WeakPolarHBondContact CD2-O 3.38Å
77A88.1Confident86Confident79 Ų7973.4 Ų73.465%0.65339%0.394SS*.  trans-90.10174.500000110.7F45 A46F45-A77 HydrophobicContact CB-CB 4.29Å; A46-A77 VanDerWaalsContact CA-CB 3.42Å; A46-A77 HydrophobicContact CB-CB 3.78Å; A46-A77 VanDerWaalsContact N-CB 3.3Å

Retrieved 77 of 77 residues in 26.6 ms (Link to these results)

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