A0A077Z2A3_TRITR Loading...

GrpE domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2A3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 120 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
1M68.1Low85.5Confident199 Ų199114 Ų11498%0.9857%0.567SS**  0-41.50-77-177.2179.500113R3 Q4 V5M1-R3 PolarHBondContact O-N 3.34Å; M1-Q4 PolarHBondContact O-N 3.36Å; M1-V5 PolarHBondContact O-N 3.23Å
2T86.9Confident85.6Confident114 Ų114108.9 Ų108.970%0.69957%0.565SS**Hα-helixtrans-52.1-48.1-179.545.80000114.5Q4 V5 E6T2-Q4 PolarHBondContact O-N 2.95Å; T2-V5 WeakPolarHBondContact O-CB 3.48Å; T2-V5 PolarHBondContact O-N 3.44Å; T2-V5 VanDerWaalsContact O-N 3.12Å; T2-E6 PolarHBondContact O-N 3.48Å; T2-E6 VanDerWaalsContact O-N 3.08Å
3R86.7Confident85.6Confident173 Ų173105.4 Ų105.465%0.65355%0.551SS**Hα-helixtrans-57.5-43.4179.3-177.6178.6169.8160.32.1114.1M1 V5 E6 E7M1-R3 PolarHBondContact O-N 3.34Å; R3-V5 VanDerWaalsContact C-N 3.27Å; R3-V5 PolarHBondContact O-N 2.92Å; R3-E6 PolarHBondContact O-N 2.95Å; R3-E7 HydrophobicContact CG-CG 4.4Å; R3-E7 IonicContact CZ-OE1 3.13Å; R3-E7 IonicContact NE-OE1 3.62Å; R3-E7 PolarHBondContact NE-OE1 3.16Å; R3-E7 VanDerWaalsContact NE-OE1 3.13Å; R3-E7 IonicContact NE-OE2 3.32Å; R3-E7 IonicContact NH2-OE1 3.7Å; R3-E7 PolarHBondContact NH2-OE1 3.03Å; R3-E7 WeakPolarHBondContact O-CG 3.49Å; R3-E7 PolarHBondContact O-N 3.3Å
4Q87.7Confident85.8Confident140 Ų140100.6 Ų100.665%0.65452%0.524SS*.Hα-helixtrans-64.4-35179.1-71.2177-5.200111.6M1 T2 A8M1-Q4 PolarHBondContact O-N 3.36Å; T2-Q4 PolarHBondContact O-N 2.95Å; Q4-A8 VanDerWaalsContact O-CB 3.23Å; Q4-A8 WeakPolarHBondContact O-CB 3.44Å; Q4-A8 PolarHBondContact O-N 2.88Å
5V90.5Very high85.8Confident80 Ų8099.1 Ų99.149%0.48553%0.526SS..Hα-helixtrans-69-38.9176.5177.20000110.9M1 T2 R3 K9M1-V5 PolarHBondContact O-N 3.23Å; T2-V5 WeakPolarHBondContact O-CB 3.48Å; T2-V5 PolarHBondContact O-N 3.44Å; T2-V5 VanDerWaalsContact O-N 3.12Å; R3-V5 VanDerWaalsContact C-N 3.27Å; R3-V5 PolarHBondContact O-N 2.92Å; V5-K9 HydrophobicContact CG1-CD 4.38Å; V5-K9 VanDerWaalsContact O-CG 3.28Å; V5-K9 WeakPolarHBondContact O-CG 3.29Å; V5-K9 PolarHBondContact O-N 3.11Å
6E88.2Confident85.9Confident119 Ų11999.1 Ų99.156%0.55653%0.525SS*.Hα-helixtrans-67.1-46.3175.9-68.7171.4164.500111.7T2 R3 A8 K9 L10T2-E6 PolarHBondContact O-N 3.48Å; T2-E6 VanDerWaalsContact O-N 3.08Å; R3-E6 PolarHBondContact O-N 2.95Å; E6-A8 VanDerWaalsContact C-N 3.33Å; E6-A8 PolarHBondContact O-N 3.45Å; E6-K9 PolarHBondContact O-N 3.37Å; E6-L10 WeakPolarHBondContact O-CG 3.46Å; E6-L10 PolarHBondContact O-N 3.46Å
7E86.9Confident86Confident78 Ų7893.6 Ų93.636%0.36450%0.497SS..Hα-helixtrans-60.2-43175.1-73.4172.4149.700111R3 K9 L10 F11R3-E7 HydrophobicContact CG-CG 4.4Å; R3-E7 IonicContact CZ-OE1 3.13Å; R3-E7 IonicContact NE-OE1 3.62Å; R3-E7 PolarHBondContact NE-OE1 3.16Å; R3-E7 VanDerWaalsContact NE-OE1 3.13Å; R3-E7 IonicContact NE-OE2 3.32Å; R3-E7 IonicContact NH2-OE1 3.7Å; R3-E7 PolarHBondContact NH2-OE1 3.03Å; R3-E7 WeakPolarHBondContact O-CG 3.49Å; R3-E7 PolarHBondContact O-N 3.3Å; E7-K9 VanDerWaalsContact C-N 3.33Å; E7-K9 PolarHBondContact O-N 2.91Å; E7-L10 PolarHBondContact O-N 3.16Å; E7-F11 WeakPolarHBondContact O-CB 3.5Å; E7-F11 VanDerWaalsContact O-CD2 3.31Å; E7-F11 WeakPolarHBondContact O-CD2 3.39Å; E7-F11 PolarHBondContact O-N 3.35Å
8A88.3Confident86Confident63 Ų6392.8 Ų92.852%0.52149%0.489SS..Hα-helixtrans-63.8-36175.900000112.9Q4 E6 G12Q4-A8 VanDerWaalsContact O-CB 3.23Å; Q4-A8 WeakPolarHBondContact O-CB 3.44Å; Q4-A8 PolarHBondContact O-N 2.88Å; E6-A8 VanDerWaalsContact C-N 3.33Å; E6-A8 PolarHBondContact O-N 3.45Å; A8-G12 WeakPolarHBondContact O-CA 3.44Å; A8-G12 PolarHBondContact O-N 3.4Å
9K85.7Confident86Confident160 Ų16093.2 Ų93.270%0.69649%0.491SS*.Hα-helixtrans-69.2-42.1176.3-77174.5-179.9-177.40112.4V5 E6 E7V5-K9 HydrophobicContact CG1-CD 4.38Å; V5-K9 VanDerWaalsContact O-CG 3.28Å; V5-K9 WeakPolarHBondContact O-CG 3.29Å; V5-K9 PolarHBondContact O-N 3.11Å; E6-K9 PolarHBondContact O-N 3.37Å; E7-K9 VanDerWaalsContact C-N 3.33Å; E7-K9 PolarHBondContact O-N 2.91Å
10L84.4Confident86.1Confident76 Ų7691.3 Ų91.340%0.39848%0.481SS..Hα-helixtrans-73.7-41.4-178.4-68.5171000112E6 E7 H105E6-L10 WeakPolarHBondContact O-CG 3.46Å; E6-L10 PolarHBondContact O-N 3.46Å; E7-L10 PolarHBondContact O-N 3.16Å; L10-H105 PolarHBondContact O-CD2 2.98Å
11F87Confident86Confident52 Ų5287.1 Ų87.123%0.22846%0.459CS..Hα-helixtrans-106.4-0.2-172.8-59.2-74.3000114E7 V13 Q14 L104 H105 R107E7-F11 WeakPolarHBondContact O-CB 3.5Å; E7-F11 VanDerWaalsContact O-CD2 3.31Å; E7-F11 WeakPolarHBondContact O-CD2 3.39Å; E7-F11 PolarHBondContact O-N 3.35Å; F11-V13 PolarHBondContact O-N 2.9Å; F11-Q14 WeakPolarHBondContact O-CB 3.47Å; F11-Q14 PolarHBondContact O-N 2.93Å; F11-L104 HydrophobicContact CD1-CD2 4.14Å; F11-L104 HydrophobicContact CD1-CG 4.42Å; F11-L104 WeakPolarHBondContact CE1-O 3.27Å; F11-H105 HydrophobicContact CE1-CB 4.12Å; F11-H105 HydrophobicContact CZ-CB 4.14Å; F11-R107 HydrophobicContact CE1-CB 3.66Å; F11-R107 HydrophobicContact CZ-CB 4.22Å
12G86.8Confident86.7Confident53 Ų5383 Ų8355%0.54644%0.437SS..THydrogen-bonded Turntrans-62.1-28.5177.700000113.6A8 Q14A8-G12 WeakPolarHBondContact O-CA 3.44Å; A8-G12 PolarHBondContact O-N 3.4Å; G12-Q14 VanDerWaalsContact C-N 3.27Å; G12-Q14 PolarHBondContact O-N 2.8Å
13V85.9Confident86.4Confident63 Ų6383.2 Ų83.238%0.38243%0.433SS..THydrogen-bonded Turntrans-84.81.5176.6-61.70000113.4F11 S15 L16 C17F11-V13 PolarHBondContact O-N 2.9Å; V13-S15 PolarHBondContact O-N 3.43Å; V13-L16 PolarHBondContact O-N 3.46Å; V13-C17 PolarHBondContact O-N 3.27Å; V13-C17 PolarHBondContact O-SG 2.98Å; V13-C17 VanDerWaalsContact O-SG 3.38Å
14Q87.4Confident86Confident38 Ų3875.5 Ų75.518%0.17841%0.407CS..Hα-helixtrans-59.2-46.4-171.3-171.6-174.1-59.500112.9F11 G12 C17 K18 L104 L109F11-Q14 WeakPolarHBondContact O-CB 3.47Å; F11-Q14 PolarHBondContact O-N 2.93Å; G12-Q14 VanDerWaalsContact C-N 3.27Å; G12-Q14 PolarHBondContact O-N 2.8Å; Q14-C17 PolarHBondContact O-N 3.19Å; Q14-K18 WeakPolarHBondContact O-CG 3.46Å; Q14-K18 PolarHBondContact O-N 3.49Å; Q14-K18 VanDerWaalsContact O-N 3.12Å; Q14-L104 HydrophobicContact CB-CD2 3.9Å; Q14-L104 HydrophobicContact CG-CD2 4.04Å; Q14-L109 HydrophobicContact CB-CD1 4.33Å; Q14-L109 HydrophobicContact CG-CD1 3.11Å
15S86.9Confident85.2Confident79 Ų7971.1 Ų71.155%0.55240%0.395SS*.Hα-helixtrans-63.8-46.9178.5480000111.5V13 C17 K18 D19V13-S15 PolarHBondContact O-N 3.43Å; S15-C17 VanDerWaalsContact C-N 3.29Å; S15-C17 PolarHBondContact O-N 3.19Å; S15-K18 WeakPolarHBondContact O-CB 3.46Å; S15-K18 PolarHBondContact O-N 2.93Å; S15-D19 PolarHBondContact O-N 3.2Å
16L87Confident84.1Confident98 Ų9873.6 Ų73.651%0.51341%0.405SS..Hα-helixtrans-57.1-42.7176.6-179.465.6000111.9V13 K18 D19 L20V13-L16 PolarHBondContact O-N 3.46Å; L16-K18 VanDerWaalsContact C-N 3.33Å; L16-K18 PolarHBondContact O-N 3.24Å; L16-D19 PolarHBondContact O-N 2.87Å; L16-L20 HydrophobicContact CD1-CD1 4.09Å; L16-L20 HydrophobicContact CD1-CG 4.24Å; L16-L20 HydrophobicContact CG-CD1 4Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 VanDerWaalsContact O-CG 3.28Å; L16-L20 WeakPolarHBondContact O-CG 3.41Å; L16-L20 PolarHBondContact O-N 3.2Å; L16-L20 VanDerWaalsContact O-N 3.07Å
17C87.6Confident83.1Confident7 Ų771 Ų715%0.04740%0.4CS..Hα-helixtrans-63-38175.3-710000112.2V13 Q14 S15 L21 L63 L109V13-C17 PolarHBondContact O-N 3.27Å; V13-C17 PolarHBondContact O-SG 2.98Å; V13-C17 VanDerWaalsContact O-SG 3.38Å; Q14-C17 PolarHBondContact O-N 3.19Å; S15-C17 VanDerWaalsContact C-N 3.29Å; S15-C17 PolarHBondContact O-N 3.19Å; C17-L21 WeakPolarHBondContact O-CB 3.42Å; C17-L21 WeakPolarHBondContact O-CG 3.37Å; C17-L21 PolarHBondContact O-N 3.33Å; C17-L21 VanDerWaalsContact O-N 3.08Å; C17-L63 HydrophobicContact CB-CD1 4.44Å; C17-L63 HydrophobicContact CB-CD2 4.32Å; C17-L109 HydrophobicContact CB-CD2 3.97Å
18K85.6Confident82.1Confident79 Ų7968.8 Ų68.834%0.34339%0.392SS..Hα-helixtrans-63.3-51.3176.5-72.2-175.5178.5-158.30111.4Q14 S15 L16 L20 L21 E22 L109Q14-K18 WeakPolarHBondContact O-CG 3.46Å; Q14-K18 PolarHBondContact O-N 3.49Å; Q14-K18 VanDerWaalsContact O-N 3.12Å; S15-K18 WeakPolarHBondContact O-CB 3.46Å; S15-K18 PolarHBondContact O-N 2.93Å; L16-K18 VanDerWaalsContact C-N 3.33Å; L16-K18 PolarHBondContact O-N 3.24Å; K18-L20 VanDerWaalsContact C-N 3.33Å; K18-L20 PolarHBondContact O-N 2.93Å; K18-L21 WeakPolarHBondContact O-CB 3.46Å; K18-L21 PolarHBondContact O-N 3.44Å; K18-L21 VanDerWaalsContact O-N 3.11Å; K18-E22 PolarHBondContact O-N 3.2Å; K18-E22 VanDerWaalsContact O-N 3.07Å; K18-L109 HydrophobicContact CD-CD1 4.12Å; K18-L109 HydrophobicContact CD-CG 4.35Å; K18-L109 WeakPolarHBondContact CE-O 3.39Å; K18-L109 HydrophobicContact CG-CD1 3.66Å; K18-L109 HydrophobicContact CG-CD2 3.87Å; K18-L109 HydrophobicContact CG-CG 3.64Å; K18-L109 PolarHBondContact NZ-O 3.38Å; K18-L109 VanDerWaalsContact NZ-O 3.16Å
19D86.8Confident81Confident100 Ų10068.7 Ų68.754%0.53539%0.388SS..Hα-helixtrans-62.5-42.3-176.1-58.6-14.9000111.2S15 L16 L21 E22 L23S15-D19 PolarHBondContact O-N 3.2Å; L16-D19 PolarHBondContact O-N 2.87Å; D19-L21 VanDerWaalsContact C-N 3.34Å; D19-L21 PolarHBondContact O-N 2.84Å; D19-E22 PolarHBondContact O-N 2.98Å; D19-L23 PolarHBondContact O-N 3.39Å
20L86.7Confident80.2Confident55 Ų5565.2 Ų65.229%0.28838%0.381SS..Hα-helixtrans-68.9-31.2177.3-68.8175.2000113L16 K18 A24 F58L16-L20 HydrophobicContact CD1-CD1 4.09Å; L16-L20 HydrophobicContact CD1-CG 4.24Å; L16-L20 HydrophobicContact CG-CD1 4Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 VanDerWaalsContact O-CG 3.28Å; L16-L20 WeakPolarHBondContact O-CG 3.41Å; L16-L20 PolarHBondContact O-N 3.2Å; L16-L20 VanDerWaalsContact O-N 3.07Å; K18-L20 VanDerWaalsContact C-N 3.33Å; K18-L20 PolarHBondContact O-N 2.93Å; L20-A24 VanDerWaalsContact O-CB 3.28Å; L20-A24 WeakPolarHBondContact O-CB 3.42Å; L20-A24 PolarHBondContact O-N 3.07Å; L20-F58 HydrophobicContact CB-CE1 4.49Å; L20-F58 HydrophobicContact CB-CE2 4.38Å; L20-F58 HydrophobicContact CB-CZ 3.59Å; L20-F58 HydrophobicContact CD1-CE1 3.95Å; L20-F58 HydrophobicContact CD1-CZ 3.82Å; L20-F58 HydrophobicContact CG-CZ 4.38Å
21L84.6Confident79.5Confident3 Ų365.9 Ų65.92%0.01639%0.385CS..Hα-helixtrans-69.8-34.8175.2-80.2176.1000112.5C17 K18 D19 A25 F58 L63 Y102 L109C17-L21 WeakPolarHBondContact O-CB 3.42Å; C17-L21 WeakPolarHBondContact O-CG 3.37Å; C17-L21 PolarHBondContact O-N 3.33Å; C17-L21 VanDerWaalsContact O-N 3.08Å; K18-L21 WeakPolarHBondContact O-CB 3.46Å; K18-L21 PolarHBondContact O-N 3.44Å; K18-L21 VanDerWaalsContact O-N 3.11Å; D19-L21 VanDerWaalsContact C-N 3.34Å; D19-L21 PolarHBondContact O-N 2.84Å; L21-A25 WeakPolarHBondContact O-CB 3.47Å; L21-A25 PolarHBondContact O-N 3.48Å; L21-A25 VanDerWaalsContact O-N 3.17Å; L21-F58 HydrophobicContact CD2-CD2 4Å; L21-F58 HydrophobicContact CD2-CE2 3.83Å; L21-F58 HydrophobicContact CG-CE2 4.13Å; L21-L63 HydrophobicContact CD1-CD2 3.91Å; L21-L63 HydrophobicContact CD2-CD2 4.17Å; L21-L63 HydrophobicContact CG-CD2 4.13Å; L21-Y102 HydrophobicContact CD1-CD1 3.96Å; L21-Y102 HydrophobicContact CD1-CD2 3.45Å; L21-Y102 VanDerWaalsContact CD1-CD2 3.45Å; L21-Y102 HydrophobicContact CD1-CE1 4.43Å; L21-Y102 HydrophobicContact CD1-CE2 3.98Å; L21-Y102 HydrophobicContact CD1-CG 3.44Å; L21-Y102 VanDerWaalsContact CD1-CG 3.44Å; L21-Y102 HydrophobicContact CD2-CD1 3.9Å; L21-Y102 HydrophobicContact CD2-CD2 3.98Å; L21-Y102 HydrophobicContact CD2-CE1 3.55Å; L21-Y102 HydrophobicContact CD2-CE2 3.64Å; L21-Y102 HydrophobicContact CD2-CG 4.11Å; L21-Y102 VanDerWaalsContact CD2-CZ 3.41Å; L21-Y102 HydrophobicContact CG-CD2 4.28Å; L21-Y102 HydrophobicContact CG-CE2 4.33Å; L21-Y102 HydrophobicContact CG-CG 4.42Å; L21-L109 HydrophobicContact CD1-CD2 3.81Å
22E82.1Confident78.6Confident112 Ų11265.9 Ų65.952%0.52339%0.389SS..Hα-helixtrans-64-48.9173.5-70178.8-175.600110.1K18 D19 A24 A25 D26K18-E22 PolarHBondContact O-N 3.2Å; K18-E22 VanDerWaalsContact O-N 3.07Å; D19-E22 PolarHBondContact O-N 2.98Å; E22-A24 VanDerWaalsContact C-N 3.34Å; E22-A24 PolarHBondContact O-N 3.23Å; E22-A25 PolarHBondContact O-N 3.49Å; E22-A25 VanDerWaalsContact O-N 3.13Å; E22-D26 PolarHBondContact O-N 3.47Å
23L82Confident77.7Confident119 Ų11967.4 Ų67.462%0.62338%0.384SS*.Hα-helixtrans-58.9-42.3175.9-176.165.8000113D19 A25 S27D19-L23 PolarHBondContact O-N 3.39Å; L23-A25 VanDerWaalsContact C-N 3.26Å; L23-A25 PolarHBondContact O-N 2.78Å; L23-S27 VanDerWaalsContact O-CB 3.31Å; L23-S27 WeakPolarHBondContact O-CB 3.42Å; L23-S27 PolarHBondContact O-N 3.28Å; L23-S27 PolarHBondContact O-OG 3.39Å
24A76.9Confident77Confident11 Ų1172.2 Ų72.29%0.09140%0.4CS..Hα-helixtrans-73-15.6-179.400000113.9L20 E22 R51 L54L20-A24 VanDerWaalsContact O-CB 3.28Å; L20-A24 WeakPolarHBondContact O-CB 3.42Å; L20-A24 PolarHBondContact O-N 3.07Å; E22-A24 VanDerWaalsContact C-N 3.34Å; E22-A24 PolarHBondContact O-N 3.23Å; A24-R51 WeakPolarHBondContact O-CD 3.38Å; A24-R51 PolarHBondContact O-NE 3.49Å; A24-L54 HydrophobicContact CB-CD2 4.18Å
25A71.3Confident76.2Confident49 Ų4973 Ų7341%0.40541%0.41SS..Hα-helixtrans-85.9-40.217600000111.8L21 E22 L23L21-A25 WeakPolarHBondContact O-CB 3.47Å; L21-A25 PolarHBondContact O-N 3.48Å; L21-A25 VanDerWaalsContact O-N 3.17Å; E22-A25 PolarHBondContact O-N 3.49Å; E22-A25 VanDerWaalsContact O-N 3.13Å; L23-A25 VanDerWaalsContact C-N 3.26Å; L23-A25 PolarHBondContact O-N 2.78Å
26D67.2Low75.4Confident132 Ų13271.8 Ų71.871%0.70641%0.41SS*.Hα-helixtrans-86.9-18.3-173.3-66-26.9000113.8E22 V28E22-D26 PolarHBondContact O-N 3.47Å; D26-V28 VanDerWaalsContact C-N 3.29Å; D26-V28 PolarHBondContact O-N 3.22Å
27S66.7Low75.1Confident64 Ų6472.6 Ų72.645%0.44841%0.411SS..SBendtrans-74.4-10.4-172.143.90000115.7L23L23-S27 VanDerWaalsContact O-CB 3.31Å; L23-S27 WeakPolarHBondContact O-CB 3.42Å; L23-S27 PolarHBondContact O-N 3.28Å; L23-S27 PolarHBondContact O-OG 3.39Å
28V66.3Low74.8Confident32 Ų3277.2 Ų77.219%0.19444%0.435CS..  trans-124.782.4-173.8-168.30000110.8D26 H44 V47 L48D26-V28 VanDerWaalsContact C-N 3.29Å; D26-V28 PolarHBondContact O-N 3.22Å; V28-H44 WeakPolarHBondContact CG1-NE2 3.31Å; V28-V47 HydrophobicContact CG2-CG1 3.74Å; V28-L48 HydrophobicContact CG1-CD2 3.78Å; V28-L48 HydrophobicContact CG1-CG 4.16Å; V28-L48 HydrophobicContact CG2-CD2 4.34Å
29S66.6Low74.7Confident61 Ų6181.4 Ų81.443%0.42746%0.456SS..  trans-78.9126.7169.9-510000110.1D31 V32S29-D31 PolarHBondContact O-N 2.73Å; S29-D31 VanDerWaalsContact O-N 3.11Å; S29-V32 PolarHBondContact O-N 3.39Å
30P67.7Low74.5Confident86 Ų8679.4 Ų79.456%0.55845%0.445SS*.G310 helixtrans-64.9-16178.827.1-34.7000112.8V32 L33P30-V32 PolarHBondContact O-N 3.01Å; P30-L33 WeakPolarHBondContact O-CB 3.28Å; P30-L33 PolarHBondContact O-N 3.34Å; P30-L33 VanDerWaalsContact O-N 3.14Å
31D70.6Confident74.3Confident91 Ų9180.4 Ų80.449%0.48745%0.447SS..G310 helixtrans-64.5-23.1179.7-61.9-58.3000113.4S29 L33 K34S29-D31 PolarHBondContact O-N 2.73Å; S29-D31 VanDerWaalsContact O-N 3.11Å; D31-L33 PolarHBondContact O-N 3.22Å; D31-K34 WeakPolarHBondContact O-CB 3.43Å; D31-K34 PolarHBondContact O-N 3.14Å; D31-K34 IonicContact OD1-NZ 2.75Å; D31-K34 PolarHBondContact OD1-NZ 3.33Å
32V68.5Low74.4Confident52 Ų5285.9 Ų85.932%0.31548%0.477SS..G310 helixtrans-58.9-33.2174.5-179.20000111.1S29 P30 K34 S35 L40 H44S29-V32 PolarHBondContact O-N 3.39Å; P30-V32 PolarHBondContact O-N 3.01Å; V32-K34 VanDerWaalsContact C-N 3.26Å; V32-K34 PolarHBondContact O-N 3.26Å; V32-S35 PolarHBondContact O-N 2.98Å; V32-S35 PolarHBondContact O-OG 3.38Å; V32-L40 HydrophobicContact CG1-CB 3.81Å; V32-H44 HydrophobicContact CG1-CB 4.27Å
33L67.5Low74.6Confident84 Ų8485.9 Ų85.944%0.4448%0.48SS..G310 helixtrans-69.3-21.9178.6-63.1172.5000113.2P30 D31 S35 K41P30-L33 WeakPolarHBondContact O-CB 3.28Å; P30-L33 PolarHBondContact O-N 3.34Å; P30-L33 VanDerWaalsContact O-N 3.14Å; D31-L33 PolarHBondContact O-N 3.22Å; L33-S35 VanDerWaalsContact C-N 3.35Å; L33-K41 HydrophobicContact CD2-CG 4.36Å
34K71.6Confident74.7Confident164 Ų16481.4 Ų81.471%0.71346%0.455SS*.G310 helixtrans-81.1-15.3-178.9-60.4176.2-176.1161.10113.1D31 V32 G36D31-K34 WeakPolarHBondContact O-CB 3.43Å; D31-K34 PolarHBondContact O-N 3.14Å; D31-K34 IonicContact OD1-NZ 2.75Å; D31-K34 PolarHBondContact OD1-NZ 3.33Å; V32-K34 VanDerWaalsContact C-N 3.26Å; V32-K34 PolarHBondContact O-N 3.26Å; K34-G36 PolarHBondContact O-N 3.42Å
35S69.5Low75.1Confident55 Ų5583.3 Ų83.339%0.38547%0.468SS..G310 helixtrans-70.6-10.4-173.765.50000114.9V32 L33 Q37 L40V32-S35 PolarHBondContact O-N 2.98Å; V32-S35 PolarHBondContact O-OG 3.38Å; L33-S35 VanDerWaalsContact C-N 3.35Å; S35-Q37 PolarHBondContact O-N 2.93Å; S35-L40 WeakPolarHBondContact OG-CD1 3.28Å
36G71.1Confident75.9Confident54 Ų5482.6 Ų82.656%0.55747%0.465SS*.  trans69.6-4.2179.500000115.1K34K34-G36 PolarHBondContact O-N 3.42Å
37Q79.5Confident76.9Confident114 Ų11478.6 Ų78.653%0.53345%0.446SS..  trans-85.6115.2179.3-62.9-171.8-48.900110.8S35 E39 L40 K41S35-Q37 PolarHBondContact O-N 2.93Å; Q37-E39 VanDerWaalsContact C-N 3.28Å; Q37-E39 PolarHBondContact O-N 2.95Å; Q37-L40 HydrophobicContact CB-CB 4.2Å; Q37-L40 HydrophobicContact CB-CD1 4.11Å; Q37-L40 HydrophobicContact CB-CG 4.09Å; Q37-L40 PolarHBondContact O-N 3.25Å; Q37-L40 VanDerWaalsContact O-N 3.16Å; Q37-K41 PolarHBondContact O-N 3.42Å; Q37-K41 VanDerWaalsContact O-N 3.16Å
38D82.4Confident77.8Confident104 Ų10478.4 Ų78.456%0.55644%0.439SS*.Hα-helixtrans-64.5-31.4-177.2-71.4-25.8000113.2L40 K41 N42D38-L40 VanDerWaalsContact C-N 3.33Å; D38-L40 PolarHBondContact O-N 3.17Å; D38-K41 PolarHBondContact O-N 3.02Å; D38-K41 IonicContact OD1-NZ 2.8Å; D38-K41 PolarHBondContact OD1-NZ 3.48Å; D38-N42 PolarHBondContact O-N 2.86Å; D38-N42 PolarHBondContact O-ND2 2.84Å
39E83Confident78.9Confident167 Ų16782.4 Ų82.478%0.7846%0.457SS*.Hα-helixtrans-59.2-43.2173.2-65.8177.7176.600111.9Q37 N42 L43Q37-E39 VanDerWaalsContact C-N 3.28Å; Q37-E39 PolarHBondContact O-N 2.95Å; E39-N42 PolarHBondContact O-N 2.95Å; E39-L43 PolarHBondContact O-N 3.39Å
40L83.3Confident79.9Confident58 Ų5883.8 Ų83.830%0.30446%0.463SS..Hα-helixtrans-68.8-36176.9-71.1-175.8000112.1V32 S35 Q37 D38 L43 H44V32-L40 HydrophobicContact CG1-CB 3.81Å; S35-L40 WeakPolarHBondContact OG-CD1 3.28Å; Q37-L40 HydrophobicContact CB-CB 4.2Å; Q37-L40 HydrophobicContact CB-CD1 4.11Å; Q37-L40 HydrophobicContact CB-CG 4.09Å; Q37-L40 PolarHBondContact O-N 3.25Å; Q37-L40 VanDerWaalsContact O-N 3.16Å; D38-L40 VanDerWaalsContact C-N 3.33Å; D38-L40 PolarHBondContact O-N 3.17Å; L40-L43 PolarHBondContact O-N 3.1Å; L40-H44 VanDerWaalsContact O-CB 3.29Å; L40-H44 WeakPolarHBondContact O-CB 3.16Å; L40-H44 PolarHBondContact O-N 2.9Å
41K82.7Confident80.9Confident76 Ų7683.6 Ų83.633%0.3345%0.451SS..Hα-helixtrans-64.1-42.4173.5-64.5177.5-164.2154.50111.5L33 Q37 D38 H44 S45L33-K41 HydrophobicContact CD2-CG 4.36Å; Q37-K41 PolarHBondContact O-N 3.42Å; Q37-K41 VanDerWaalsContact O-N 3.16Å; D38-K41 PolarHBondContact O-N 3.02Å; D38-K41 IonicContact OD1-NZ 2.8Å; D38-K41 PolarHBondContact OD1-NZ 3.48Å; K41-H44 PolarHBondContact O-N 2.93Å; K41-S45 WeakPolarHBondContact O-CB 3.2Å; K41-S45 PolarHBondContact O-N 3.35Å
42N85.9Confident81.7Confident119 Ų11982.6 Ų82.664%0.63645%0.449SS*.Hα-helixtrans-63.7-44.7176.9-72.3-20.3000111.2D38 E39 S45 G46D38-N42 PolarHBondContact O-N 2.86Å; D38-N42 PolarHBondContact O-ND2 2.84Å; E39-N42 PolarHBondContact O-N 2.95Å; N42-S45 WeakPolarHBondContact O-CB 3.28Å; N42-S45 PolarHBondContact O-N 3.18Å; N42-G46 PolarHBondContact O-N 3.33Å
43L85.6Confident82.7Confident112 Ų11286 Ų8659%0.58646%0.461SS*.Hα-helixtrans-59.8-48.6174.4-179.462.2000111.5E39 L40 S45 G46 V47E39-L43 PolarHBondContact O-N 3.39Å; L40-L43 PolarHBondContact O-N 3.1Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 2.98Å; L43-G46 PolarHBondContact O-N 3.09Å; L43-G46 VanDerWaalsContact O-N 3.11Å; L43-V47 WeakPolarHBondContact O-CG2 3.47Å; L43-V47 PolarHBondContact O-N 3.08Å
44H84.7Confident83.8Confident24 Ų2484.2 Ų84.211%0.11145%0.452CS..Hα-helixtrans-57.7-42.2176.8174.2-88000112V28 V32 L40 K41 V47 L48V28-H44 WeakPolarHBondContact CG1-NE2 3.31Å; V32-H44 HydrophobicContact CG1-CB 4.27Å; L40-H44 VanDerWaalsContact O-CB 3.29Å; L40-H44 WeakPolarHBondContact O-CB 3.16Å; L40-H44 PolarHBondContact O-N 2.9Å; K41-H44 PolarHBondContact O-N 2.93Å; H44-V47 PolarHBondContact O-N 3.44Å; H44-L48 WeakPolarHBondContact CE1-CD1 3.45Å; H44-L48 WeakPolarHBondContact O-CB 3.31Å; H44-L48 WeakPolarHBondContact O-CG 3.47Å; H44-L48 PolarHBondContact O-N 3.35Å
45S85.6Confident84.5Confident52 Ų5278.6 Ų78.636%0.36443%0.429SS..Hα-helixtrans-61.5-44.9174.5-165.80000111.7K41 N42 L43 V47 L48 M49K41-S45 WeakPolarHBondContact O-CB 3.2Å; K41-S45 PolarHBondContact O-N 3.35Å; N42-S45 WeakPolarHBondContact O-CB 3.28Å; N42-S45 PolarHBondContact O-N 3.18Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 2.98Å; S45-V47 PolarHBondContact O-N 3.08Å; S45-L48 WeakPolarHBondContact O-CB 3.34Å; S45-L48 PolarHBondContact O-N 3.44Å; S45-M49 WeakPolarHBondContact O-CG 3.42Å; S45-M49 PolarHBondContact O-N 3Å
46G88.2Confident85.5Confident33 Ų3382.4 Ų82.434%0.3444%0.439SS..Hα-helixtrans-58-46174.300000112.8N42 L43 L48 M49 T50N42-G46 PolarHBondContact O-N 3.33Å; L43-G46 PolarHBondContact O-N 3.09Å; L43-G46 VanDerWaalsContact O-N 3.11Å; G46-L48 PolarHBondContact O-N 3.29Å; G46-M49 WeakPolarHBondContact O-CB 3.45Å; G46-M49 PolarHBondContact O-N 3.14Å; G46-T50 PolarHBondContact O-N 3.08Å; G46-T50 PolarHBondContact O-OG1 3.13Å
47V87.9Confident86.4Confident49 Ų4983 Ų8330%0.29743%0.429SS..Hα-helixtrans-62.3-42.5176.6177.60000111.3V28 L43 H44 S45 M49 T50 R51V28-V47 HydrophobicContact CG2-CG1 3.74Å; L43-V47 WeakPolarHBondContact O-CG2 3.47Å; L43-V47 PolarHBondContact O-N 3.08Å; H44-V47 PolarHBondContact O-N 3.44Å; S45-V47 PolarHBondContact O-N 3.08Å; V47-M49 VanDerWaalsContact C-N 3.32Å; V47-M49 PolarHBondContact O-N 3.27Å; V47-T50 PolarHBondContact O-N 3.34Å; V47-R51 WeakPolarHBondContact O-CB 3.44Å; V47-R51 PolarHBondContact O-N 3.39Å
48L86.4Confident86.9Confident60 Ų6078.2 Ų78.231%0.31441%0.406SS..Hα-helixtrans-60.9-39.7174.6-80.9179.7000112.5V28 H44 S45 G46 R51 T52V28-L48 HydrophobicContact CG1-CD2 3.78Å; V28-L48 HydrophobicContact CG1-CG 4.16Å; V28-L48 HydrophobicContact CG2-CD2 4.34Å; H44-L48 WeakPolarHBondContact CE1-CD1 3.45Å; H44-L48 WeakPolarHBondContact O-CB 3.31Å; H44-L48 WeakPolarHBondContact O-CG 3.47Å; H44-L48 PolarHBondContact O-N 3.35Å; S45-L48 WeakPolarHBondContact O-CB 3.34Å; S45-L48 PolarHBondContact O-N 3.44Å; G46-L48 PolarHBondContact O-N 3.29Å; L48-R51 PolarHBondContact O-N 3.07Å; L48-T52 WeakPolarHBondContact O-CB 3.21Å; L48-T52 PolarHBondContact O-N 2.91Å; L48-T52 PolarHBondContact O-OG1 3.22Å
49M88.4Confident87.2Confident115 Ų11576.8 Ų76.857%0.56740%0.401SS*.Hα-helixtrans-63.5-45.8175.1-69.3-178.4-172.400111.1S45 G46 V47 R51 T52 Q53S45-M49 WeakPolarHBondContact O-CG 3.42Å; S45-M49 PolarHBondContact O-N 3Å; G46-M49 WeakPolarHBondContact O-CB 3.45Å; G46-M49 PolarHBondContact O-N 3.14Å; V47-M49 VanDerWaalsContact C-N 3.32Å; V47-M49 PolarHBondContact O-N 3.27Å; M49-R51 PolarHBondContact O-N 3.46Å; M49-T52 WeakPolarHBondContact O-CB 3.4Å; M49-T52 PolarHBondContact O-N 3.25Å; M49-Q53 WeakPolarHBondContact O-CG 3.43Å; M49-Q53 PolarHBondContact O-N 3.13Å
50T89.2Confident87.5Confident90 Ų9078.1 Ų78.155%0.55240%0.399SS*.Hα-helixtrans-59.9-45.5175.5-57.80000111.5G46 V47 T52 Q53 L54G46-T50 PolarHBondContact O-N 3.08Å; G46-T50 PolarHBondContact O-OG1 3.13Å; V47-T50 PolarHBondContact O-N 3.34Å; T50-T52 VanDerWaalsContact C-N 3.3Å; T50-T52 PolarHBondContact O-N 3.34Å; T50-Q53 PolarHBondContact O-N 3.17Å; T50-L54 WeakPolarHBondContact O-CB 3.39Å; T50-L54 PolarHBondContact O-N 3.35Å
51R87.3Confident87.7Confident82 Ų8280.7 Ų80.731%0.30941%0.409SS..Hα-helixtrans-57.5-44.2175.1-178.7177.5-178.3-114.2-2.7111.5A24 V47 L48 M49 L54 L55A24-R51 WeakPolarHBondContact O-CD 3.38Å; A24-R51 PolarHBondContact O-NE 3.49Å; V47-R51 WeakPolarHBondContact O-CB 3.44Å; V47-R51 PolarHBondContact O-N 3.39Å; L48-R51 PolarHBondContact O-N 3.07Å; M49-R51 PolarHBondContact O-N 3.46Å; R51-L54 PolarHBondContact O-N 3.29Å; R51-L55 HydrophobicContact CG-CD1 4.39Å; R51-L55 WeakPolarHBondContact O-CG 3.45Å; R51-L55 PolarHBondContact O-N 3.11Å
52T87.2Confident87.9Confident71 Ų7178 Ų7844%0.43640%0.404SS..Hα-helixtrans-63.3-42.6177.9-57.60000111.7L48 M49 T50 K56L48-T52 WeakPolarHBondContact O-CB 3.21Å; L48-T52 PolarHBondContact O-N 2.91Å; L48-T52 PolarHBondContact O-OG1 3.22Å; M49-T52 WeakPolarHBondContact O-CB 3.4Å; M49-T52 PolarHBondContact O-N 3.25Å; T50-T52 VanDerWaalsContact C-N 3.3Å; T50-T52 PolarHBondContact O-N 3.34Å; T52-K56 WeakPolarHBondContact O-CG 3.49Å; T52-K56 PolarHBondContact O-N 3.03Å; T52-K56 VanDerWaalsContact O-N 3.09Å
53Q90.5Very high88.2Confident124 Ų12472.5 Ų72.558%0.57937%0.374SS*.Hα-helixtrans-65.9-41.2175.8-70.8-177.8-2.600112.1M49 T50 K56 I57M49-Q53 WeakPolarHBondContact O-CG 3.43Å; M49-Q53 PolarHBondContact O-N 3.13Å; T50-Q53 PolarHBondContact O-N 3.17Å; Q53-K56 WeakPolarHBondContact O-CB 3.49Å; Q53-K56 PolarHBondContact O-N 2.99Å; Q53-I57 WeakPolarHBondContact O-CG1 3.14Å; Q53-I57 PolarHBondContact O-N 3.31Å
54L89.1Confident88.4Confident46 Ų4669.9 Ų69.924%0.24136%0.363CS..Hα-helixtrans-60.5-46176.1-176.464.5000111.4A24 T50 R51 K56 I57 F58A24-L54 HydrophobicContact CB-CD2 4.18Å; T50-L54 WeakPolarHBondContact O-CB 3.39Å; T50-L54 PolarHBondContact O-N 3.35Å; R51-L54 PolarHBondContact O-N 3.29Å; L54-K56 VanDerWaalsContact C-N 3.31Å; L54-K56 PolarHBondContact O-N 3.39Å; L54-I57 WeakPolarHBondContact O-CB 2.99Å; L54-I57 PolarHBondContact O-N 3.11Å; L54-I57 VanDerWaalsContact O-N 3.1Å; L54-F58 HydrophobicContact CD1-CD1 4.48Å; L54-F58 HydrophobicContact CD1-CE1 3.86Å; L54-F58 HydrophobicContact CD1-CE2 4.24Å; L54-F58 HydrophobicContact CD1-CZ 3.71Å; L54-F58 HydrophobicContact CD2-CE2 4.02Å; L54-F58 HydrophobicContact CD2-CZ 4.03Å; L54-F58 HydrophobicContact CG-CD2 4.28Å; L54-F58 HydrophobicContact CG-CE1 4.28Å; L54-F58 HydrophobicContact CG-CE2 3.75Å; L54-F58 HydrophobicContact CG-CZ 3.74Å; L54-F58 WeakPolarHBondContact O-CG 3.33Å; L54-F58 PolarHBondContact O-N 3.17Å
55L86.8Confident88.6Confident45 Ų4571.8 Ų71.824%0.23638%0.378CS..Hα-helixtrans-61-38.5175.5-70.3174.7000112R51 I57 F58 T59 Y102R51-L55 HydrophobicContact CG-CD1 4.39Å; R51-L55 WeakPolarHBondContact O-CG 3.45Å; R51-L55 PolarHBondContact O-N 3.11Å; L55-I57 VanDerWaalsContact C-N 3.35Å; L55-I57 PolarHBondContact O-N 3.12Å; L55-F58 HydrophobicContact CD2-CD2 4.31Å; L55-F58 WeakPolarHBondContact O-CB 3.45Å; L55-F58 PolarHBondContact O-N 2.9Å; L55-T59 PolarHBondContact O-N 3.05Å; L55-T59 PolarHBondContact O-OG1 3.08Å; L55-T59 VanDerWaalsContact O-OG1 3.08Å; L55-Y102 HydrophobicContact CD2-CE1 4.12Å
56K90.1Very high88.8Confident135 Ų13570.5 Ų70.559%0.58737%0.367SS*.Hα-helixtrans-62.1-41.6173.1-72.5175.2-179.7-178.50112T52 Q53 L54 T59 R60T52-K56 WeakPolarHBondContact O-CG 3.49Å; T52-K56 PolarHBondContact O-N 3.03Å; T52-K56 VanDerWaalsContact O-N 3.09Å; Q53-K56 WeakPolarHBondContact O-CB 3.49Å; Q53-K56 PolarHBondContact O-N 2.99Å; L54-K56 VanDerWaalsContact C-N 3.31Å; L54-K56 PolarHBondContact O-N 3.39Å; K56-T59 PolarHBondContact O-N 3.38Å; K56-R60 WeakPolarHBondContact O-CG 3.23Å; K56-R60 PolarHBondContact O-N 3.33Å; K56-R60 VanDerWaalsContact O-N 3.13Å
57I90.2Very high88.8Confident68 Ų6873.2 Ų73.235%0.34937%0.373SS..Hα-helixtrans-62.1-48.6176.2-66.3164.4000109.8Q53 L54 L55 T59 R60 H61Q53-I57 WeakPolarHBondContact O-CG1 3.14Å; Q53-I57 PolarHBondContact O-N 3.31Å; L54-I57 WeakPolarHBondContact O-CB 2.99Å; L54-I57 PolarHBondContact O-N 3.11Å; L54-I57 VanDerWaalsContact O-N 3.1Å; L55-I57 VanDerWaalsContact C-N 3.35Å; L55-I57 PolarHBondContact O-N 3.12Å; I57-T59 PolarHBondContact O-N 3.12Å; I57-R60 WeakPolarHBondContact O-CB 3.38Å; I57-R60 PolarHBondContact O-N 2.9Å; I57-R60 VanDerWaalsContact O-N 3.08Å; I57-H61 PolarHBondContact O-CD2 2.75Å; I57-H61 VanDerWaalsContact O-CD2 3.23Å; I57-H61 PolarHBondContact O-N 3.03Å; I57-H61 VanDerWaalsContact O-N 3.14Å
58F90.1Very high88.8Confident12 Ų1270.9 Ų70.95%0.05336%0.359CS..Hα-helixtrans-54.1-47.6175.4-76.4-10000113.1L20 L21 L54 L55 R60 H61 G62 L63L20-F58 HydrophobicContact CB-CE1 4.49Å; L20-F58 HydrophobicContact CB-CE2 4.38Å; L20-F58 HydrophobicContact CB-CZ 3.59Å; L20-F58 HydrophobicContact CD1-CE1 3.95Å; L20-F58 HydrophobicContact CD1-CZ 3.82Å; L20-F58 HydrophobicContact CG-CZ 4.38Å; L21-F58 HydrophobicContact CD2-CD2 4Å; L21-F58 HydrophobicContact CD2-CE2 3.83Å; L21-F58 HydrophobicContact CG-CE2 4.13Å; L54-F58 HydrophobicContact CD1-CD1 4.48Å; L54-F58 HydrophobicContact CD1-CE1 3.86Å; L54-F58 HydrophobicContact CD1-CE2 4.24Å; L54-F58 HydrophobicContact CD1-CZ 3.71Å; L54-F58 HydrophobicContact CD2-CE2 4.02Å; L54-F58 HydrophobicContact CD2-CZ 4.03Å; L54-F58 HydrophobicContact CG-CD2 4.28Å; L54-F58 HydrophobicContact CG-CE1 4.28Å; L54-F58 HydrophobicContact CG-CE2 3.75Å; L54-F58 HydrophobicContact CG-CZ 3.74Å; L54-F58 WeakPolarHBondContact O-CG 3.33Å; L54-F58 PolarHBondContact O-N 3.17Å; L55-F58 HydrophobicContact CD2-CD2 4.31Å; L55-F58 WeakPolarHBondContact O-CB 3.45Å; L55-F58 PolarHBondContact O-N 2.9Å; F58-R60 VanDerWaalsContact C-N 3.31Å; F58-R60 PolarHBondContact O-N 3.22Å; F58-H61 CarbonylContact O-C 3.35Å; F58-H61 WeakPolarHBondContact O-CA 3.23Å; F58-H61 PolarHBondContact O-N 3.44Å; F58-G62 PolarHBondContact O-N 2.92Å; F58-L63 CarbonylContact C-O 3.56Å; F58-L63 HydrophobicContact CB-CB 3.91Å; F58-L63 HydrophobicContact CB-CD2 3.56Å; F58-L63 HydrophobicContact CB-CG 4.26Å; F58-L63 HydrophobicContact CD1-CD2 4.18Å; F58-L63 HydrophobicContact CD2-CD2 3.45Å; F58-L63 VanDerWaalsContact CD2-CD2 3.45Å; F58-L63 HydrophobicContact CE2-CD2 4.16Å; F58-L63 HydrophobicContact CG-CD2 3.47Å; F58-L63 VanDerWaalsContact CG-CD2 3.47Å; F58-L63 WeakPolarHBondContact O-CB 3.4Å; F58-L63 PolarHBondContact O-N 3.38Å
59T88.4Confident89Confident74 Ų7472.4 Ų72.445%0.45437%0.366SS..Hα-helixtrans-60.6-38.2176.2-57.20000112.6L55 K56 I57 H61 G62 L63L55-T59 PolarHBondContact O-N 3.05Å; L55-T59 PolarHBondContact O-OG1 3.08Å; L55-T59 VanDerWaalsContact O-OG1 3.08Å; K56-T59 PolarHBondContact O-N 3.38Å; I57-T59 PolarHBondContact O-N 3.12Å; T59-H61 PolarHBondContact O-N 3.36Å; T59-G62 PolarHBondContact O-N 3.27Å; T59-G62 VanDerWaalsContact O-N 3.08Å; T59-L63 WeakPolarHBondContact CA-O 3.31Å; T59-L63 PolarHBondContact N-O 3.39Å; T59-L63 PolarHBondContact OG1-O 3.34Å
60R89.4Confident89.1Confident195 Ų19569.3 Ų69.374%0.73636%0.364SS*.Hα-helixtrans-63.2-30.1173.9-69.3-170.2-58.6-168.13.2113.1K56 I57 F58 G62K56-R60 WeakPolarHBondContact O-CG 3.23Å; K56-R60 PolarHBondContact O-N 3.33Å; K56-R60 VanDerWaalsContact O-N 3.13Å; I57-R60 WeakPolarHBondContact O-CB 3.38Å; I57-R60 PolarHBondContact O-N 2.9Å; I57-R60 VanDerWaalsContact O-N 3.08Å; F58-R60 VanDerWaalsContact C-N 3.31Å; F58-R60 PolarHBondContact O-N 3.22Å; R60-G62 VanDerWaalsContact C-N 3.3Å
61H87.6Confident89.3Confident112 Ų11270.2 Ų70.252%0.51936%0.362SS..THydrogen-bonded Turntrans-92.418.7175.4-68.4-76.6000113I57 F58 T59 L63 H105I57-H61 PolarHBondContact O-CD2 2.75Å; I57-H61 VanDerWaalsContact O-CD2 3.23Å; I57-H61 PolarHBondContact O-N 3.03Å; I57-H61 VanDerWaalsContact O-N 3.14Å; F58-H61 CarbonylContact O-C 3.35Å; F58-H61 WeakPolarHBondContact O-CA 3.23Å; F58-H61 PolarHBondContact O-N 3.44Å; T59-H61 PolarHBondContact O-N 3.36Å; H61-L63 PolarHBondContact O-N 3.08Å; H61-H105 PolarHBondContact O-CE1 2.97Å; H61-H105 PolarHBondContact O-NE2 3.16Å
62G88Confident89.6Confident21 Ų2174.4 Ų74.422%0.21638%0.383CS..THydrogen-bonded Turntrans81.210.2172.900000115.4F58 T59 R60 L104 H105F58-G62 PolarHBondContact O-N 2.92Å; T59-G62 PolarHBondContact O-N 3.27Å; T59-G62 VanDerWaalsContact O-N 3.08Å; R60-G62 VanDerWaalsContact C-N 3.3Å; G62-L104 WeakPolarHBondContact O-CA 3.13Å; G62-H105 PolarHBondContact O-N 3.27Å
63L90.9Very high89.8Confident2 Ų273.9 Ų73.91%0.0137%0.374CS..EExtended strand (participates in β ladder)trans-92112.1174-172.481.8000110.7C17 L21 F58 T59 H61 Y102 I103 L104 L109C17-L63 HydrophobicContact CB-CD1 4.44Å; C17-L63 HydrophobicContact CB-CD2 4.32Å; L21-L63 HydrophobicContact CD1-CD2 3.91Å; L21-L63 HydrophobicContact CD2-CD2 4.17Å; L21-L63 HydrophobicContact CG-CD2 4.13Å; F58-L63 CarbonylContact C-O 3.56Å; F58-L63 HydrophobicContact CB-CB 3.91Å; F58-L63 HydrophobicContact CB-CD2 3.56Å; F58-L63 HydrophobicContact CB-CG 4.26Å; F58-L63 HydrophobicContact CD1-CD2 4.18Å; F58-L63 HydrophobicContact CD2-CD2 3.45Å; F58-L63 VanDerWaalsContact CD2-CD2 3.45Å; F58-L63 HydrophobicContact CE2-CD2 4.16Å; F58-L63 HydrophobicContact CG-CD2 3.47Å; F58-L63 VanDerWaalsContact CG-CD2 3.47Å; F58-L63 WeakPolarHBondContact O-CB 3.4Å; F58-L63 PolarHBondContact O-N 3.38Å; T59-L63 WeakPolarHBondContact CA-O 3.31Å; T59-L63 PolarHBondContact N-O 3.39Å; T59-L63 PolarHBondContact OG1-O 3.34Å; H61-L63 PolarHBondContact O-N 3.08Å; L63-Y102 HydrophobicContact CD2-CD1 4.29Å; L63-Y102 HydrophobicContact CG-CD1 4.25Å; L63-I103 CarbonylContact C-O 3.6Å; L63-I103 VanDerWaalsContact CA-O 3.23Å; L63-I103 WeakPolarHBondContact CA-O 3.47Å; L63-L104 HydrophobicContact CB-CD1 4.16Å; L63-L104 HydrophobicContact CD1-CB 3.96Å; L63-L104 HydrophobicContact CD1-CD1 4.25Å; L63-L109 HydrophobicContact CD1-CB 4.44Å; L63-L109 HydrophobicContact CD1-CD2 3.43Å; L63-L109 VanDerWaalsContact CD1-CD2 3.43Å; L63-L109 HydrophobicContact CD1-CG 4.5Å
64T90.1Very high90Very high58 Ų5870.4 Ų70.436%0.35636%0.36SS..EExtended strand (participates in β ladder)trans-114138.7-178.255.40000111.3Y102 I103T64-Y102 CarbonylContact O-C 3.57Å; T64-Y102 VanDerWaalsContact O-CA 3.28Å; T64-Y102 WeakPolarHBondContact O-CA 3.24Å; T64-I103 PolarHBondContact N-O 2.92Å; T64-I103 PolarHBondContact O-N 3.16Å
65P89.8Confident90.2Very high64 Ų6473 Ų7342%0.41638%0.379SS..EExtended strand (participates in β ladder)trans-71.3145.3173.229.5-33.1000111.2M100 G101 Y102P65-M100 HydrophobicContact CB-CE 3.84Å; P65-G101 CarbonylContact C-O 3.43Å; P65-G101 WeakPolarHBondContact CA-O 3.3Å; P65-Y102 HydrophobicContact CB-CD1 4.17Å; P65-Y102 HydrophobicContact CB-CE1 3.81Å
66L89.4Confident90.5Very high25 Ų2576.3 Ų76.313%0.13140%0.397CS..EExtended strand (participates in β ladder)trans-103.6118.3170.5-77.9170.8000109.6F77 G101 I103 A112L66-F77 HydrophobicContact CD1-CB 3.96Å; L66-F77 HydrophobicContact CD1-CD1 4.24Å; L66-G101 PolarHBondContact N-O 2.8Å; L66-G101 PolarHBondContact O-N 3.32Å; L66-I103 HydrophobicContact CD1-CD1 3.83Å; L66-I103 HydrophobicContact CD1-CG1 3.58Å; L66-I103 HydrophobicContact CD2-CD1 3.53Å; L66-I103 HydrophobicContact CD2-CG1 4.11Å; L66-I103 HydrophobicContact CG-CD1 3.8Å; L66-I103 HydrophobicContact CG-CG1 3.78Å; L66-A112 HydrophobicContact CB-CB 4.39Å
67N87.5Confident90.6Very high89 Ų8972.8 Ų72.848%0.47638%0.382SS..  trans-128.973.2174.2-171.918.9000110.7I69 V97 M100N67-I69 PolarHBondContact O-N 2.74Å; N67-I69 WeakPolarHBondContact OD1-CD1 3.1Å; N67-I69 WeakPolarHBondContact OD1-CG1 3.44Å; N67-V97 WeakPolarHBondContact OD1-CG2 3.5Å; N67-M100 HydrophobicContact CB-CE 4.12Å
68P88.8Confident90.8Very high1 Ų169.9 Ų69.91%0.00637%0.367CS..  trans-79.327.5-16735.3-42000114.4G70 E71 H78 V94 V97 A112 V114P68-G70 PolarHBondContact O-N 3.24Å; P68-G70 VanDerWaalsContact O-N 3.16Å; P68-E71 HydrophobicContact CB-CB 4.11Å; P68-E71 HydrophobicContact CB-CG 4.35Å; P68-E71 WeakPolarHBondContact O-CB 3.28Å; P68-E71 PolarHBondContact O-N 3.19Å; P68-H78 WeakPolarHBondContact CB-CE1 3.47Å; P68-H78 WeakPolarHBondContact CB-NE2 3.41Å; P68-H78 VanDerWaalsContact CG-NE2 3.33Å; P68-H78 WeakPolarHBondContact CG-NE2 3.13Å; P68-V94 HydrophobicContact CB-CG2 4.34Å; P68-V94 HydrophobicContact CG-CG1 4.23Å; P68-V94 HydrophobicContact CG-CG2 4.19Å; P68-V94 VanDerWaalsContact O-CB 3.24Å; P68-V94 WeakPolarHBondContact O-CB 3.32Å; P68-V97 HydrophobicContact CG-CG2 4.18Å; P68-A112 HydrophobicContact CG-CB 4.17Å; P68-V114 HydrophobicContact CG-CG1 3.92Å
69I91Very high91.1Very high91 Ų9174 Ų7447%0.46739%0.387SS..THydrogen-bonded Turntrans-59.7123-178.3-62.1172.5000109.7N67 E71 V97N67-I69 PolarHBondContact O-N 2.74Å; N67-I69 WeakPolarHBondContact OD1-CD1 3.1Å; N67-I69 WeakPolarHBondContact OD1-CG1 3.44Å; I69-E71 VanDerWaalsContact C-N 3.29Å; I69-V97 HydrophobicContact CD1-CB 4.43Å; I69-V97 HydrophobicContact CD1-CG2 4.19Å; I69-V97 HydrophobicContact CG1-CB 4.23Å; I69-V97 HydrophobicContact CG1-CG2 3.49Å; I69-V97 VanDerWaalsContact CG1-CG2 3.49Å
70G90.5Very high91.3Very high51 Ų5173.1 Ų73.153%0.52639%0.387SS..THydrogen-bonded Turntrans84.8-7.4-176.600000114.7P68 V94P68-G70 PolarHBondContact O-N 3.24Å; P68-G70 VanDerWaalsContact O-N 3.16Å; G70-V94 PolarHBondContact N-O 3.44Å
71E92.5Very high91.6Very high108 Ų10866.5 Ų66.551%0.50537%0.368SS..SBendtrans-80.8158.3174.6-60.3-178.1-161.800111.3P68 I69 T93 V94P68-E71 HydrophobicContact CB-CB 4.11Å; P68-E71 HydrophobicContact CB-CG 4.35Å; P68-E71 WeakPolarHBondContact O-CB 3.28Å; P68-E71 PolarHBondContact O-N 3.19Å; I69-E71 VanDerWaalsContact C-N 3.29Å; E71-T93 CarbonylContact O-C 3.51Å; E71-T93 VanDerWaalsContact O-CA 3.25Å; E71-T93 WeakPolarHBondContact O-CA 3.23Å; E71-T93 WeakPolarHBondContact O-CB 3.41Å; E71-V94 PolarHBondContact O-N 2.81Å
72K92.9Very high91.9Very high171 Ų17164.8 Ų64.874%0.74336%0.359SS*.BIsolated β-bridgetrans-64.3138.7171.5-172175.5-179.3178.70109.6D74K72-D74 PolarHBondContact O-N 2.8Å
73F93.2Very high92.2Very high59 Ų5970 Ų7026%0.25938%0.378SS..PPolyproline II helixtrans-60.2126.3174.8179.4-104.7000111P75 H78 A80 G92 V114 V116F73-P75 HydrophobicContact CD1-CG 4.28Å; F73-P75 HydrophobicContact CE1-CB 4.3Å; F73-P75 HydrophobicContact CE1-CG 3.73Å; F73-P75 HydrophobicContact CZ-CG 4.44Å; F73-H78 HydrophobicContact CD2-CB 3.63Å; F73-H78 HydrophobicContact CE2-CB 3.46Å; F73-H78 VanDerWaalsContact CE2-CB 3.46Å; F73-H78 WeakPolarHBondContact CE2-O 3.46Å; F73-H78 HydrophobicContact CZ-CB 4.44Å; F73-H78 WeakPolarHBondContact CZ-O 3.37Å; F73-A80 HydrophobicContact CD2-CB 4.35Å; F73-A80 HydrophobicContact CE2-CB 3.64Å; F73-A80 HydrophobicContact CZ-CB 3.75Å; F73-G92 WeakPolarHBondContact CB-O 3.4Å; F73-G92 PolarHBondContact N-O 3.24Å; F73-V114 HydrophobicContact CD2-CG2 3.92Å; F73-V114 HydrophobicContact CE2-CG2 3.93Å; F73-V116 HydrophobicContact CB-CG1 4.26Å; F73-V116 HydrophobicContact CB-CG2 4.14Å; F73-V116 HydrophobicContact CD2-CG2 3.54Å; F73-V116 HydrophobicContact CE2-CG2 4.16Å; F73-V116 HydrophobicContact CG-CG2 3.93Å
74D93.7Very high92.2Very high52 Ų5271.4 Ų71.428%0.27839%0.386SS..  trans-124.3110.2175.2-175-18.3000108.5K72 N76 F77 H78K72-D74 PolarHBondContact O-N 2.8Å; D74-N76 PolarHBondContact O-N 2.83Å; D74-N76 VanDerWaalsContact OD1-CB 3.3Å; D74-N76 WeakPolarHBondContact OD1-CB 3.46Å; D74-N76 PolarHBondContact OD1-N 2.88Å; D74-N76 PolarHBondContact OD1-ND2 2.84Å; D74-F77 HydrophobicContact CB-CD2 4.31Å; D74-F77 PolarHBondContact O-N 2.84Å; D74-F77 WeakPolarHBondContact OD2-CD2 3.48Å; D74-H78 PolarHBondContact N-ND1 2.85Å; D74-H78 WeakPolarHBondContact O-CA 3.35Å; D74-H78 WeakPolarHBondContact O-CB 3.28Å; D74-H78 PolarHBondContact O-N 3.1Å
75P92.8Very high92.2Very high99 Ų9975 Ų7564%0.64340%0.403SS*.THydrogen-bonded Turntrans-57.5-19.5179.5-20.928.8000114.9F73 F77F73-P75 HydrophobicContact CD1-CG 4.28Å; F73-P75 HydrophobicContact CE1-CB 4.3Å; F73-P75 HydrophobicContact CE1-CG 3.73Å; F73-P75 HydrophobicContact CZ-CG 4.44Å; P75-F77 VanDerWaalsContact C-N 3.3Å
76N92.9Very high92Very high115 Ų11574.1 Ų74.162%0.61540%0.395SS*.THydrogen-bonded Turntrans-72.5-26.4177.7-61.3-67.4000112.4D74 C108D74-N76 PolarHBondContact O-N 2.83Å; D74-N76 VanDerWaalsContact OD1-CB 3.3Å; D74-N76 WeakPolarHBondContact OD1-CB 3.46Å; D74-N76 PolarHBondContact OD1-N 2.88Å; D74-N76 PolarHBondContact OD1-ND2 2.84Å; N76-C108 WeakPolarHBondContact O-CB 3.39Å; N76-C108 PolarHBondContact O-SG 2.76Å; N76-C108 VanDerWaalsContact O-SG 3.38Å
77F93.5Very high91.6Very high62 Ų6277.5 Ų77.527%0.27243%0.427SS..THydrogen-bonded Turntrans-122-19.3-174.5-59.4-68.7000113.1L66 D74 P75 I103 C108 A111 A112L66-F77 HydrophobicContact CD1-CB 3.96Å; L66-F77 HydrophobicContact CD1-CD1 4.24Å; D74-F77 HydrophobicContact CB-CD2 4.31Å; D74-F77 PolarHBondContact O-N 2.84Å; D74-F77 WeakPolarHBondContact OD2-CD2 3.48Å; P75-F77 VanDerWaalsContact C-N 3.3Å; F77-I103 HydrophobicContact CD1-CD1 3.73Å; F77-I103 HydrophobicContact CD1-CG1 4.11Å; F77-I103 HydrophobicContact CE1-CD1 3.75Å; F77-I103 HydrophobicContact CE1-CG1 4.27Å; F77-C108 HydrophobicContact CD1-CB 3.99Å; F77-C108 HydrophobicContact CE1-CB 4.28Å; F77-A111 CarbonylContact O-C 3.52Å; F77-A111 WeakPolarHBondContact O-CA 3.4Å; F77-A111 WeakPolarHBondContact O-CB 3.38Å; F77-A112 PolarHBondContact O-N 2.99Å
78H94.9Very high91.4Very high7 Ų782.7 Ų82.73%0.03245%0.445CS..EExtended strand (participates in β ladder)trans-124.9139-171.5-49.9152.1000110.9P68 F73 D74 A112 V114P68-H78 WeakPolarHBondContact CB-CE1 3.47Å; P68-H78 WeakPolarHBondContact CB-NE2 3.41Å; P68-H78 VanDerWaalsContact CG-NE2 3.33Å; P68-H78 WeakPolarHBondContact CG-NE2 3.13Å; F73-H78 HydrophobicContact CD2-CB 3.63Å; F73-H78 HydrophobicContact CE2-CB 3.46Å; F73-H78 VanDerWaalsContact CE2-CB 3.46Å; F73-H78 WeakPolarHBondContact CE2-O 3.46Å; F73-H78 HydrophobicContact CZ-CB 4.44Å; F73-H78 WeakPolarHBondContact CZ-O 3.37Å; D74-H78 PolarHBondContact N-ND1 2.85Å; D74-H78 WeakPolarHBondContact O-CA 3.35Å; D74-H78 WeakPolarHBondContact O-CB 3.28Å; D74-H78 PolarHBondContact O-N 3.1Å; H78-A112 WeakPolarHBondContact CA-O 3.31Å; H78-V114 HydrophobicContact CB-CG2 3.89Å
79E95Very high91.2Very high98 Ų9886 Ų8646%0.45846%0.46SS..EExtended strand (participates in β ladder)trans-111.7111172.2-178.9-179.2-157.800108.1V81 A111 A112 Q113 V114E79-V81 HydrophobicContact CG-CG1 4.41Å; E79-V81 PolarHBondContact O-N 2.85Å; E79-A111 HydrophobicContact CB-CB 4.1Å; E79-A112 PolarHBondContact N-O 3.32Å; E79-Q113 HydrophobicContact CB-CG 4.43Å; E79-Q113 WeakPolarHBondContact O-CA 3.34Å; E79-Q113 WeakPolarHBondContact OE2-CG 3.38Å; E79-Q113 PolarHBondContact OE2-NE2 2.63Å; E79-V114 WeakPolarHBondContact O-CG2 3.44Å; E79-V114 PolarHBondContact O-N 3.46Å
80A93.5Very high91.1Very high56 Ų5687.4 Ų87.446%0.46347%0.468SS..EExtended strand (participates in β ladder)trans-74.8111.1177.800000109.8F73 V114 V116F73-A80 HydrophobicContact CD2-CB 4.35Å; F73-A80 HydrophobicContact CE2-CB 3.64Å; F73-A80 HydrophobicContact CZ-CB 3.75Å; A80-V114 WeakPolarHBondContact CA-O 3.25Å; A80-V116 HydrophobicContact CB-CG2 3.76Å
81V94.7Very high91Very high55 Ų5588.8 Ų88.833%0.33347%0.468SS..EExtended strand (participates in β ladder)trans-98.2-24.1-178.2-74.90000113.2E79 Q113 V114E79-V81 HydrophobicContact CG-CG1 4.41Å; E79-V81 PolarHBondContact O-N 2.85Å; V81-Q113 HydrophobicContact CG1-CB 3.9Å; V81-Q113 HydrophobicContact CG1-CG 4.01Å; V81-Q113 HydrophobicContact CG2-CB 4.18Å; V81-V114 VanDerWaalsContact CG2-O 3.23Å; V81-V114 WeakPolarHBondContact CG2-O 3.18Å; V81-V114 PolarHBondContact N-O 3.09Å
82F94.4Very high90.9Very high77 Ų7785 Ų8534%0.33846%0.457SS..EExtended strand (participates in β ladder)trans-157.6166.617557.4-90000111V84 I96 Q98 G115 V116F82-V84 HydrophobicContact CD2-CG2 3.7Å; F82-V84 HydrophobicContact CE2-CG2 3.45Å; F82-V84 VanDerWaalsContact CE2-CG2 3.45Å; F82-I96 HydrophobicContact CE2-CB 4.36Å; F82-I96 HydrophobicContact CE2-CD1 4.16Å; F82-I96 HydrophobicContact CZ-CB 4.05Å; F82-I96 HydrophobicContact CZ-CD1 4.38Å; F82-I96 HydrophobicContact CZ-CG2 4.06Å; F82-Q98 HydrophobicContact CE1-CB 4.37Å; F82-G115 CarbonylContact O-C 3.57Å; F82-G115 VanDerWaalsContact O-CA 3.24Å; F82-G115 WeakPolarHBondContact O-CA 3.24Å; F82-V116 PolarHBondContact O-N 3.07Å
83E93.7Very high90.9Very high130 Ų13077.6 Ų77.661%0.60743%0.426SS*.EExtended strand (participates in β ladder)trans-104149.7172.4-63.8-174.815900110.6V116 K118E83-V116 CarbonylContact C-O 3.5Å; E83-V116 VanDerWaalsContact CA-O 3.24Å; E83-V116 WeakPolarHBondContact CA-O 3.36Å; E83-K118 HydrophobicContact CB-CB 4.43Å
84V91.9Very high91Very high31 Ų3174.8 Ų74.819%0.18841%0.414CS..EExtended strand (participates in β ladder)trans-124.2131.6176.3-174.20000109.6F82 D86 A95 I96 V116 V117 K118F82-V84 HydrophobicContact CD2-CG2 3.7Å; F82-V84 HydrophobicContact CE2-CG2 3.45Å; F82-V84 VanDerWaalsContact CE2-CG2 3.45Å; V84-D86 HydrophobicContact CG1-CB 4.24Å; V84-D86 PolarHBondContact O-N 2.91Å; V84-A95 HydrophobicContact CB-CB 4.02Å; V84-A95 HydrophobicContact CG1-CB 4.42Å; V84-A95 HydrophobicContact CG2-CB 4.07Å; V84-I96 HydrophobicContact CG2-CD1 4.09Å; V84-I96 HydrophobicContact CG2-CG1 4.46Å; V84-V116 PolarHBondContact N-O 3.32Å; V84-V117 WeakPolarHBondContact O-CA 3.47Å; V84-K118 PolarHBondContact O-N 3.13Å; V84-K118 VanDerWaalsContact O-N 3.07Å
85D89.8Confident90.9Very high134 Ų13472.5 Ų72.572%0.71740%0.402SS*.  trans-82.395.2166.5-69.7-56.1000109.2
86D85.9Confident90.9Very high45 Ų4571.4 Ų71.424%0.24139%0.39CS..  trans-127.3104.3175.4-168.8-14.6000110.1V84 K88 K89V84-D86 HydrophobicContact CG1-CB 4.24Å; V84-D86 PolarHBondContact O-N 2.91Å; D86-K88 PolarHBondContact O-N 3.28Å; D86-K88 VanDerWaalsContact O-N 3.16Å; D86-K88 WeakPolarHBondContact OD1-CB 3.41Å; D86-K88 PolarHBondContact OD1-N 3.48Å; D86-K89 HydrophobicContact CB-CB 4.44Å; D86-K89 HydrophobicContact CB-CD 4.48Å; D86-K89 PolarHBondContact O-N 2.8Å; D86-K89 WeakPolarHBondContact OD2-CD 3.43Å; D86-K89 VanDerWaalsContact OD2-CE 3.31Å; D86-K89 WeakPolarHBondContact OD2-CE 3.23Å; D86-K89 IonicContact OD2-NZ 3.86Å
87A80.7Confident90.9Very high97 Ų9767.2 Ų67.280%0.80237%0.369SS*.THydrogen-bonded Turntrans-69.1-8.1-179.500000113.8
88K84.1Confident90.7Very high198 Ų19870 Ų7086%0.86138%0.383SS*.THydrogen-bonded Turntrans-93.9-11.5179.1-61.1-178.7179.3-179.90113.3D86D86-K88 PolarHBondContact O-N 3.28Å; D86-K88 VanDerWaalsContact O-N 3.16Å; D86-K88 WeakPolarHBondContact OD1-CB 3.41Å; D86-K88 PolarHBondContact OD1-N 3.48Å
89K84.3Confident90.4Very high70 Ų7075.1 Ų75.130%0.30441%0.405SS..SBendtrans-115.5150.5-176.5-66.2-179.2-175.7164.90110.3D86 A95 V117D86-K89 HydrophobicContact CB-CB 4.44Å; D86-K89 HydrophobicContact CB-CD 4.48Å; D86-K89 PolarHBondContact O-N 2.8Å; D86-K89 WeakPolarHBondContact OD2-CD 3.43Å; D86-K89 VanDerWaalsContact OD2-CE 3.31Å; D86-K89 WeakPolarHBondContact OD2-CE 3.23Å; D86-K89 IonicContact OD2-NZ 3.86Å; K89-A95 HydrophobicContact CD-CB 4.04Å; K89-A95 PolarHBondContact NZ-O 2.8Å; K89-V117 HydrophobicContact CB-CG2 3.55Å; K89-V117 HydrophobicContact CD-CG2 4.18Å
90D87.4Confident90.2Very high120 Ų12073.6 Ų73.664%0.64240%0.399SS*.  trans-69.6135.9-178.6-64.4-69.4000111.2G92 T93 V117D90-G92 PolarHBondContact O-N 2.91Å; D90-T93 HydrophobicContact CB-CG2 3.77Å; D90-T93 WeakPolarHBondContact O-CB 3.46Å; D90-T93 WeakPolarHBondContact O-CG2 3.46Å; D90-T93 PolarHBondContact O-N 3.38Å; D90-T93 VanDerWaalsContact O-N 3.11Å; D90-T93 PolarHBondContact O-OG1 2.91Å; D90-V117 WeakPolarHBondContact O-CB 3.48Å
91P90.4Very high90.1Very high81 Ų8170.9 Ų70.953%0.52638%0.376SS..THydrogen-bonded Turntrans-45.2133169.3-35.841.2000113.7T93 A119P91-T93 VanDerWaalsContact C-N 3.29Å; P91-T93 PolarHBondContact O-N 2.96Å; P91-A119 HydrophobicContact CB-CB 4.02Å
92G89.2Confident89.9Confident27 Ų2768.9 Ų68.928%0.27836%0.363SS..THydrogen-bonded Turntrans77.29.7179.600000115F73 D90 V117F73-G92 WeakPolarHBondContact CB-O 3.4Å; F73-G92 PolarHBondContact N-O 3.24Å; D90-G92 PolarHBondContact O-N 2.91Å; G92-V117 PolarHBondContact N-O 3.4Å
93T94.1Very high89.8Confident16 Ų1666.5 Ų66.510%0.09835%0.353CS..BIsolated β-bridgetrans-93.7157.5168.963.60000111.9E71 D90 P91 A95 V116 V117E71-T93 CarbonylContact O-C 3.51Å; E71-T93 VanDerWaalsContact O-CA 3.25Å; E71-T93 WeakPolarHBondContact O-CA 3.23Å; E71-T93 WeakPolarHBondContact O-CB 3.41Å; D90-T93 HydrophobicContact CB-CG2 3.77Å; D90-T93 WeakPolarHBondContact O-CB 3.46Å; D90-T93 WeakPolarHBondContact O-CG2 3.46Å; D90-T93 PolarHBondContact O-N 3.38Å; D90-T93 VanDerWaalsContact O-N 3.11Å; D90-T93 PolarHBondContact O-OG1 2.91Å; P91-T93 VanDerWaalsContact C-N 3.29Å; P91-T93 PolarHBondContact O-N 2.96Å; T93-A95 PolarHBondContact O-N 2.86Å; T93-V116 CarbonylContact O-C 3.58Å; T93-V116 WeakPolarHBondContact O-CA 3.39Å; T93-V117 PolarHBondContact O-N 3.4Å
94V93.7Very high89.8Confident0 Ų060.3 Ų60.30%033%0.325CS..EExtended strand (participates in β ladder)trans-75.1114.6175.3171.20000109.7P68 G70 E71 V97 V114 G115P68-V94 HydrophobicContact CB-CG2 4.34Å; P68-V94 HydrophobicContact CG-CG1 4.23Å; P68-V94 HydrophobicContact CG-CG2 4.19Å; P68-V94 VanDerWaalsContact O-CB 3.24Å; P68-V94 WeakPolarHBondContact O-CB 3.32Å; G70-V94 PolarHBondContact N-O 3.44Å; E71-V94 PolarHBondContact O-N 2.81Å; V94-V97 HydrophobicContact CG1-CG2 4.1Å; V94-V114 HydrophobicContact CB-CB 4.45Å; V94-V114 HydrophobicContact CG1-CB 3.69Å; V94-V114 HydrophobicContact CG1-CG1 3.61Å; V94-V114 HydrophobicContact CG2-CB 4.04Å; V94-V114 HydrophobicContact CG2-CG1 4.1Å; V94-V114 HydrophobicContact CG2-CG2 3.96Å; V94-G115 CarbonylContact C-O 3.6Å
95A92.9Very high89.5Confident4 Ų462.2 Ų62.23%0.03333%0.331CS..EExtended strand (participates in β ladder)trans-82.6-41.9176.800000112.5V84 K89 T93 G115 V117V84-A95 HydrophobicContact CB-CB 4.02Å; V84-A95 HydrophobicContact CG1-CB 4.42Å; V84-A95 HydrophobicContact CG2-CB 4.07Å; K89-A95 HydrophobicContact CD-CB 4.04Å; K89-A95 PolarHBondContact NZ-O 2.8Å; T93-A95 PolarHBondContact O-N 2.86Å; A95-G115 PolarHBondContact N-O 3.3Å; A95-V117 HydrophobicContact CB-CG2 3.82Å
96I92.3Very high89.3Confident76 Ų7664.6 Ų64.639%0.3934%0.338SS..EExtended strand (participates in β ladder)trans-140.7142.1-170.6-59.1179.6000108.9F82 V84 V114 G115F82-I96 HydrophobicContact CE2-CB 4.36Å; F82-I96 HydrophobicContact CE2-CD1 4.16Å; F82-I96 HydrophobicContact CZ-CB 4.05Å; F82-I96 HydrophobicContact CZ-CD1 4.38Å; F82-I96 HydrophobicContact CZ-CG2 4.06Å; V84-I96 HydrophobicContact CG2-CD1 4.09Å; V84-I96 HydrophobicContact CG2-CG1 4.46Å; I96-V114 CarbonylContact O-C 3.51Å; I96-V114 VanDerWaalsContact O-CA 3.23Å; I96-V114 WeakPolarHBondContact O-CA 3.42Å; I96-G115 PolarHBondContact N-O 2.79Å; I96-G115 PolarHBondContact O-N 2.85Å
97V92Very high89.4Confident27 Ų2769 Ų6916%0.16435%0.352CS..EExtended strand (participates in β ladder)trans-108.3112.7169.3174.90000108.1N67 P68 I69 V94 M100 V114N67-V97 WeakPolarHBondContact OD1-CG2 3.5Å; P68-V97 HydrophobicContact CG-CG2 4.18Å; I69-V97 HydrophobicContact CD1-CB 4.43Å; I69-V97 HydrophobicContact CD1-CG2 4.19Å; I69-V97 HydrophobicContact CG1-CB 4.23Å; I69-V97 HydrophobicContact CG1-CG2 3.49Å; I69-V97 VanDerWaalsContact CG1-CG2 3.49Å; V94-V97 HydrophobicContact CG1-CG2 4.1Å; V97-M100 HydrophobicContact CG1-CG 4.46Å; V97-V114 HydrophobicContact CG2-CG1 3.97Å
98Q90.4Very high89.9Confident120 Ų12066.3 Ų66.356%0.56133%0.326SS*.EExtended strand (participates in β ladder)trans-82.2-42.5177.3-172.4-178.942.500111.1F82 Q113F82-Q98 HydrophobicContact CE1-CB 4.37Å; Q98-Q113 HydrophobicContact CB-CB 4.48Å; Q98-Q113 PolarHBondContact N-O 3.03Å
99K88.7Confident90.2Very high116 Ų11657.3 Ų57.350%0.50429%0.287SS..EExtended strand (participates in β ladder)trans-132.5128.9172.7-58.4-169-171.7176.50109.5G101 A112 Q113K99-G101 PolarHBondContact O-N 2.81Å; K99-A112 CarbonylContact O-C 3.49Å; K99-A112 WeakPolarHBondContact O-CA 3.43Å; K99-Q113 HydrophobicContact CB-CB 4.01Å; K99-Q113 HydrophobicContact CB-CG 4.31Å; K99-Q113 HydrophobicContact CG-CB 4.4Å; K99-Q113 PolarHBondContact N-O 3.05Å; K99-Q113 PolarHBondContact O-N 2.91Å
100M89.4Confident90.4Very high65 Ų6557.1 Ų57.132%0.3229%0.285SS..  trans-61.6137.3177-61.3-173.983.400110.5P65 N67 V97 Y102 R110P65-M100 HydrophobicContact CB-CE 3.84Å; N67-M100 HydrophobicContact CB-CE 4.12Å; V97-M100 HydrophobicContact CG1-CG 4.46Å; M100-Y102 HydrophobicContact CB-CE2 4.27Å; M100-R110 PolarHBondContact O-NE 2.95Å; M100-R110 PolarHBondContact O-NH2 3.28Å
101G91.4Very high90.7Very high0 Ų052.8 Ų52.80%027%0.265CS..EExtended strand (participates in β ladder)trans-84.6172.3169.500000110.8P65 L66 K99 R110P65-G101 CarbonylContact C-O 3.43Å; P65-G101 WeakPolarHBondContact CA-O 3.3Å; L66-G101 PolarHBondContact N-O 2.8Å; L66-G101 PolarHBondContact O-N 3.32Å; K99-G101 PolarHBondContact O-N 2.81Å; G101-R110 CarbonylContact C-O 3.56Å; G101-R110 WeakPolarHBondContact CA-O 3.42Å
102Y92.4Very high90.8Very high12 Ų1248.9 Ų48.95%0.04724%0.24CC..EExtended strand (participates in β ladder)trans-144141.8174.5-68.1-90.4000111.2L21 L55 L63 T64 P65 M100 L109 R110L21-Y102 HydrophobicContact CD1-CD1 3.96Å; L21-Y102 HydrophobicContact CD1-CD2 3.45Å; L21-Y102 VanDerWaalsContact CD1-CD2 3.45Å; L21-Y102 HydrophobicContact CD1-CE1 4.43Å; L21-Y102 HydrophobicContact CD1-CE2 3.98Å; L21-Y102 HydrophobicContact CD1-CG 3.44Å; L21-Y102 VanDerWaalsContact CD1-CG 3.44Å; L21-Y102 HydrophobicContact CD2-CD1 3.9Å; L21-Y102 HydrophobicContact CD2-CD2 3.98Å; L21-Y102 HydrophobicContact CD2-CE1 3.55Å; L21-Y102 HydrophobicContact CD2-CE2 3.64Å; L21-Y102 HydrophobicContact CD2-CG 4.11Å; L21-Y102 VanDerWaalsContact CD2-CZ 3.41Å; L21-Y102 HydrophobicContact CG-CD2 4.28Å; L21-Y102 HydrophobicContact CG-CE2 4.33Å; L21-Y102 HydrophobicContact CG-CG 4.42Å; L55-Y102 HydrophobicContact CD2-CE1 4.12Å; L63-Y102 HydrophobicContact CD2-CD1 4.29Å; L63-Y102 HydrophobicContact CG-CD1 4.25Å; T64-Y102 CarbonylContact O-C 3.57Å; T64-Y102 VanDerWaalsContact O-CA 3.28Å; T64-Y102 WeakPolarHBondContact O-CA 3.24Å; P65-Y102 HydrophobicContact CB-CD1 4.17Å; P65-Y102 HydrophobicContact CB-CE1 3.81Å; M100-Y102 HydrophobicContact CB-CE2 4.27Å; Y102-L109 WeakPolarHBondContact O-CA 3.35Å; Y102-L109 VanDerWaalsContact O-CB 3.28Å; Y102-L109 WeakPolarHBondContact O-CB 3.24Å; Y102-L109 PolarHBondContact O-N 3.24Å; Y102-R110 PolarHBondContact N-O 2.85Å; Y102-R110 PolarHBondContact O-N 2.83Å
103I92.2Very high91.1Very high27 Ų2749.6 Ų49.614%0.13824%0.236CC..EExtended strand (participates in β ladder)trans-114.2134.7173.8-68.1175.4000108.3L63 T64 L66 F77 Q106 R107L63-I103 CarbonylContact C-O 3.6Å; L63-I103 VanDerWaalsContact CA-O 3.23Å; L63-I103 WeakPolarHBondContact CA-O 3.47Å; T64-I103 PolarHBondContact N-O 2.92Å; T64-I103 PolarHBondContact O-N 3.16Å; L66-I103 HydrophobicContact CD1-CD1 3.83Å; L66-I103 HydrophobicContact CD1-CG1 3.58Å; L66-I103 HydrophobicContact CD2-CD1 3.53Å; L66-I103 HydrophobicContact CD2-CG1 4.11Å; L66-I103 HydrophobicContact CG-CD1 3.8Å; L66-I103 HydrophobicContact CG-CG1 3.78Å; F77-I103 HydrophobicContact CD1-CD1 3.73Å; F77-I103 HydrophobicContact CD1-CG1 4.11Å; F77-I103 HydrophobicContact CE1-CD1 3.75Å; F77-I103 HydrophobicContact CE1-CG1 4.27Å; I103-Q106 VanDerWaalsContact CG2-CA 3.5Å; I103-R107 CarbonylContact C-O 3.46Å; I103-R107 WeakPolarHBondContact CA-O 3.33Å
104L92.3Very high91.1Very high1 Ų148.8 Ų48.81%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-111.7116.5170.7179.865.1000108.9F11 Q14 G62 L63 Q106 R107 L109F11-L104 HydrophobicContact CD1-CD2 4.14Å; F11-L104 HydrophobicContact CD1-CG 4.42Å; F11-L104 WeakPolarHBondContact CE1-O 3.27Å; Q14-L104 HydrophobicContact CB-CD2 3.9Å; Q14-L104 HydrophobicContact CG-CD2 4.04Å; G62-L104 WeakPolarHBondContact O-CA 3.13Å; L63-L104 HydrophobicContact CB-CD1 4.16Å; L63-L104 HydrophobicContact CD1-CB 3.96Å; L63-L104 HydrophobicContact CD1-CD1 4.25Å; L104-Q106 PolarHBondContact O-N 2.89Å; L104-Q106 VanDerWaalsContact O-N 3.09Å; L104-R107 PolarHBondContact N-O 3.39Å; L104-R107 PolarHBondContact O-N 2.85Å; L104-L109 HydrophobicContact CB-CB 4.5Å
105H85.7Confident91.2Very high71 Ų7148.8 Ų48.833%0.32923%0.232SC..THydrogen-bonded Turntrans47.341176.6-60.8-63.5000114.6L10 F11 H61 G62L10-H105 PolarHBondContact O-CD2 2.98Å; F11-H105 HydrophobicContact CE1-CB 4.12Å; F11-H105 HydrophobicContact CZ-CB 4.14Å; H61-H105 PolarHBondContact O-CE1 2.97Å; H61-H105 PolarHBondContact O-NE2 3.16Å; G62-H105 PolarHBondContact O-N 3.27Å
106Q84.9Confident91.2Very high183 Ų18349.5 Ų49.586%0.85524%0.235SC*.THydrogen-bonded Turntrans79.7-2-175.2-46.6-163.413.300117.5I103 L104I103-Q106 VanDerWaalsContact CG2-CA 3.5Å; L104-Q106 PolarHBondContact O-N 2.89Å; L104-Q106 VanDerWaalsContact O-N 3.09Å
107R88.6Confident91.3Very high139 Ų13946.1 Ų46.153%0.52522%0.218SC..EExtended strand (participates in β ladder)trans-94.8132.2171.5-170.3177.1-179.4174.73110.4F11 I103 L104 L109F11-R107 HydrophobicContact CE1-CB 3.66Å; F11-R107 HydrophobicContact CZ-CB 4.22Å; I103-R107 CarbonylContact C-O 3.46Å; I103-R107 WeakPolarHBondContact CA-O 3.33Å; L104-R107 PolarHBondContact N-O 3.39Å; L104-R107 PolarHBondContact O-N 2.85Å; R107-L109 PolarHBondContact O-N 3.33Å; R107-L109 VanDerWaalsContact O-N 3.1Å
108C90.5Very high91.2Very high39 Ų3949.5 Ų49.526%0.26423%0.231SC..EExtended strand (participates in β ladder)trans-60.5115170.5-172.50000109.5N76 F77N76-C108 WeakPolarHBondContact O-CB 3.39Å; N76-C108 PolarHBondContact O-SG 2.76Å; N76-C108 VanDerWaalsContact O-SG 3.38Å; F77-C108 HydrophobicContact CD1-CB 3.99Å; F77-C108 HydrophobicContact CE1-CB 4.28Å
109L90.3Very high90.5Very high9 Ų947.1 Ų47.15%0.04723%0.231CC..EExtended strand (participates in β ladder)trans-84.2-47.1177-17371.5000110.2Q14 C17 K18 L21 L63 Y102 L104 R107Q14-L109 HydrophobicContact CB-CD1 4.33Å; Q14-L109 HydrophobicContact CG-CD1 3.11Å; C17-L109 HydrophobicContact CB-CD2 3.97Å; K18-L109 HydrophobicContact CD-CD1 4.12Å; K18-L109 HydrophobicContact CD-CG 4.35Å; K18-L109 WeakPolarHBondContact CE-O 3.39Å; K18-L109 HydrophobicContact CG-CD1 3.66Å; K18-L109 HydrophobicContact CG-CD2 3.87Å; K18-L109 HydrophobicContact CG-CG 3.64Å; K18-L109 PolarHBondContact NZ-O 3.38Å; K18-L109 VanDerWaalsContact NZ-O 3.16Å; L21-L109 HydrophobicContact CD1-CD2 3.81Å; L63-L109 HydrophobicContact CD1-CB 4.44Å; L63-L109 HydrophobicContact CD1-CD2 3.43Å; L63-L109 VanDerWaalsContact CD1-CD2 3.43Å; L63-L109 HydrophobicContact CD1-CG 4.5Å; Y102-L109 WeakPolarHBondContact O-CA 3.35Å; Y102-L109 VanDerWaalsContact O-CB 3.28Å; Y102-L109 WeakPolarHBondContact O-CB 3.24Å; Y102-L109 PolarHBondContact O-N 3.24Å; L104-L109 HydrophobicContact CB-CB 4.5Å; R107-L109 PolarHBondContact O-N 3.33Å; R107-L109 VanDerWaalsContact O-N 3.1Å
110R89.4Confident89.3Confident66 Ų6655.1 Ų55.125%0.24926%0.258CS..EExtended strand (participates in β ladder)trans-146.1124.9177.5-175.9176.779.4-175.17107.7M100 G101 Y102M100-R110 PolarHBondContact O-NE 2.95Å; M100-R110 PolarHBondContact O-NH2 3.28Å; G101-R110 CarbonylContact C-O 3.56Å; G101-R110 WeakPolarHBondContact CA-O 3.42Å; Y102-R110 PolarHBondContact N-O 2.85Å; Y102-R110 PolarHBondContact O-N 2.83Å
111A92.9Very high89.3Confident29 Ų2954.7 Ų54.724%0.2426%0.255CS..PPolyproline II helixtrans-64.5146.4175.300000110.6F77 E79F77-A111 CarbonylContact O-C 3.52Å; F77-A111 WeakPolarHBondContact O-CA 3.4Å; F77-A111 WeakPolarHBondContact O-CB 3.38Å; E79-A111 HydrophobicContact CB-CB 4.1Å
112A93.8Very high89.2Confident0 Ų057.5 Ų57.50%027%0.269CS..EExtended strand (participates in β ladder)trans-72.7128.1171.500000109.1L66 P68 F77 H78 E79 K99 V114L66-A112 HydrophobicContact CB-CB 4.39Å; P68-A112 HydrophobicContact CG-CB 4.17Å; F77-A112 PolarHBondContact O-N 2.99Å; H78-A112 WeakPolarHBondContact CA-O 3.31Å; E79-A112 PolarHBondContact N-O 3.32Å; K99-A112 CarbonylContact O-C 3.49Å; K99-A112 WeakPolarHBondContact O-CA 3.43Å; A112-V114 HydrophobicContact CB-CG1 3.99Å; A112-V114 PolarHBondContact O-N 3.11Å
113Q94.4Very high89.1Confident41 Ų4160.1 Ų60.119%0.19228%0.281CS..EExtended strand (participates in β ladder)trans-81.6117173.5-68-170.1-26.700108.8E79 V81 Q98 K99E79-Q113 HydrophobicContact CB-CG 4.43Å; E79-Q113 WeakPolarHBondContact O-CA 3.34Å; E79-Q113 WeakPolarHBondContact OE2-CG 3.38Å; E79-Q113 PolarHBondContact OE2-NE2 2.63Å; V81-Q113 HydrophobicContact CG1-CB 3.9Å; V81-Q113 HydrophobicContact CG1-CG 4.01Å; V81-Q113 HydrophobicContact CG2-CB 4.18Å; Q98-Q113 HydrophobicContact CB-CB 4.48Å; Q98-Q113 PolarHBondContact N-O 3.03Å; K99-Q113 HydrophobicContact CB-CB 4.01Å; K99-Q113 HydrophobicContact CB-CG 4.31Å; K99-Q113 HydrophobicContact CG-CB 4.4Å; K99-Q113 PolarHBondContact N-O 3.05Å; K99-Q113 PolarHBondContact O-N 2.91Å
114V95.1Very high88.9Confident0 Ų062 Ų620%029%0.29CS..EExtended strand (participates in β ladder)trans-129.4147.6-167.2-64.30000112.9P68 F73 H78 E79 A80 V81 V94 I96 V97 A112 V116P68-V114 HydrophobicContact CG-CG1 3.92Å; F73-V114 HydrophobicContact CD2-CG2 3.92Å; F73-V114 HydrophobicContact CE2-CG2 3.93Å; H78-V114 HydrophobicContact CB-CG2 3.89Å; E79-V114 WeakPolarHBondContact O-CG2 3.44Å; E79-V114 PolarHBondContact O-N 3.46Å; A80-V114 WeakPolarHBondContact CA-O 3.25Å; V81-V114 VanDerWaalsContact CG2-O 3.23Å; V81-V114 WeakPolarHBondContact CG2-O 3.18Å; V81-V114 PolarHBondContact N-O 3.09Å; V94-V114 HydrophobicContact CB-CB 4.45Å; V94-V114 HydrophobicContact CG1-CB 3.69Å; V94-V114 HydrophobicContact CG1-CG1 3.61Å; V94-V114 HydrophobicContact CG2-CB 4.04Å; V94-V114 HydrophobicContact CG2-CG1 4.1Å; V94-V114 HydrophobicContact CG2-CG2 3.96Å; I96-V114 CarbonylContact O-C 3.51Å; I96-V114 VanDerWaalsContact O-CA 3.23Å; I96-V114 WeakPolarHBondContact O-CA 3.42Å; V97-V114 HydrophobicContact CG2-CG1 3.97Å; A112-V114 HydrophobicContact CB-CG1 3.99Å; A112-V114 PolarHBondContact O-N 3.11Å; V114-V116 HydrophobicContact CG2-CG2 4.08Å
115G94.6Very high88.7Confident0 Ų065.8 Ų65.80%031%0.307CS..EExtended strand (participates in β ladder)trans-89.1125.4162.400000109.7F82 V94 A95 I96F82-G115 CarbonylContact O-C 3.57Å; F82-G115 VanDerWaalsContact O-CA 3.24Å; F82-G115 WeakPolarHBondContact O-CA 3.24Å; V94-G115 CarbonylContact C-O 3.6Å; A95-G115 PolarHBondContact N-O 3.3Å; I96-G115 PolarHBondContact N-O 2.79Å; I96-G115 PolarHBondContact O-N 2.85Å
116V94.7Very high88.9Confident18 Ų1865.5 Ų65.511%0.10931%0.306CS..EExtended strand (participates in β ladder)trans-102142.6-179.1-1780000110.2F73 A80 F82 E83 V84 T93 V114 K118F73-V116 HydrophobicContact CB-CG1 4.26Å; F73-V116 HydrophobicContact CB-CG2 4.14Å; F73-V116 HydrophobicContact CD2-CG2 3.54Å; F73-V116 HydrophobicContact CE2-CG2 4.16Å; F73-V116 HydrophobicContact CG-CG2 3.93Å; A80-V116 HydrophobicContact CB-CG2 3.76Å; F82-V116 PolarHBondContact O-N 3.07Å; E83-V116 CarbonylContact C-O 3.5Å; E83-V116 VanDerWaalsContact CA-O 3.24Å; E83-V116 WeakPolarHBondContact CA-O 3.36Å; V84-V116 PolarHBondContact N-O 3.32Å; T93-V116 CarbonylContact O-C 3.58Å; T93-V116 WeakPolarHBondContact O-CA 3.39Å; V114-V116 HydrophobicContact CG2-CG2 4.08Å; V116-K118 PolarHBondContact O-N 2.95Å
117V93.6Very high89.1Confident6 Ų657.1 Ų57.14%0.03627%0.267CS..EExtended strand (participates in β ladder)trans-68.6126175.8-176.30000109.5V84 K89 D90 G92 T93 A95 A119V84-V117 WeakPolarHBondContact O-CA 3.47Å; K89-V117 HydrophobicContact CB-CG2 3.55Å; K89-V117 HydrophobicContact CD-CG2 4.18Å; D90-V117 WeakPolarHBondContact O-CB 3.48Å; G92-V117 PolarHBondContact N-O 3.4Å; T93-V117 PolarHBondContact O-N 3.4Å; A95-V117 HydrophobicContact CB-CG2 3.82Å; V117-A119 PolarHBondContact O-N 3.16Å
118K88.9Confident89.2Confident98 Ų9850.8 Ų50.843%0.42625%0.247SC..PPolyproline II helixtrans-61.8130.4179.3-171.1172.5-176.8176.20111.1E83 V84 V116 R120E83-K118 HydrophobicContact CB-CB 4.43Å; V84-K118 PolarHBondContact O-N 3.13Å; V84-K118 VanDerWaalsContact O-N 3.07Å; V116-K118 PolarHBondContact O-N 2.95Å; K118-R120 PolarHBondContact O-N 3.45Å
119A76.4Confident89.1Confident69 Ų6951.8 Ų51.857%0.5725%0.245SC*.PPolyproline II helixtrans-74.2121.6166.700000109.3P91 V117P91-A119 HydrophobicContact CB-CB 4.02Å; V117-A119 PolarHBondContact O-N 3.16Å
120R64.9Low89Confident285 Ų28555.6 Ų55.6100%1.07526%0.263SS*.  trans-72.70172.5-74.8-171.5177.3-167.1-0.3111.3K118K118-R120 PolarHBondContact O-N 3.45Å

Retrieved 120 of 120 residues in 95 ms (Link to these results)

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