G4VHW3_SCHMA Loading...

Cyclin-dependent kinases regulatory subunit

Binds to the catalytic subunit of the cyclin dependent kinases and is essential for their biological function.

AlphaFold DB , UniProt , Accession G4VHW3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 95 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
1M51.9Low86.9Confident185 Ų185107.7 Ų107.791%0.91149%0.489SS*.  0120.10-87.783176.200108.6R3M1-R3 PolarHBondContact O-N 3.48Å
2N57.2Low87.8Confident138 Ų138108.3 Ų108.374%0.73849%0.486SS*.  trans-69.797.9170.4-71.616.4000108N4N2-N4 PolarHBondContact O-N 3.26Å
3R74.7Confident88.4Confident185 Ų185104.8 Ų104.870%0.69847%0.474SS*.  trans-79.540.2177.8-66.8-179.9177.2167-0.6111.6M1 I5M1-R3 PolarHBondContact O-N 3.48Å; R3-I5 PolarHBondContact O-N 3.41Å
4N89.8Confident88.9Confident128 Ų128107.5 Ų107.568%0.68450%0.495SS*.  trans-79.494.1-176.4-70.6-1.2000108.6N2N2-N4 PolarHBondContact O-N 3.26Å
5I96.7Very high89.3Confident27 Ų27106.7 Ų106.714%0.13849%0.494CS..  trans-72.8125.6168.7-62.7175000107.5R3 Y7 V21 L23 L27 G46 I47R3-I5 PolarHBondContact O-N 3.41Å; I5-Y7 HydrophobicContact CB-CE2 4.05Å; I5-Y7 HydrophobicContact CG2-CD2 4.35Å; I5-Y7 HydrophobicContact CG2-CE1 4.16Å; I5-Y7 HydrophobicContact CG2-CE2 3.69Å; I5-Y7 WeakPolarHBondContact O-CE2 3.49Å; I5-V21 HydrophobicContact CG2-CG1 3.24Å; I5-L23 HydrophobicContact CD1-CD2 4.03Å; I5-L23 HydrophobicContact CG1-CD2 4.04Å; I5-L23 HydrophobicContact CG2-CD2 4.28Å; I5-L27 HydrophobicContact CD1-CD1 3.92Å; I5-L27 HydrophobicContact CG1-CD1 4.03Å; I5-G46 WeakPolarHBondContact CD1-O 3.46Å; I5-I47 HydrophobicContact CD1-CG1 4.26Å
6Y97.4Very high89.8Confident133 Ų133104.3 Ų104.352%0.52248%0.48SS..EExtended strand (participates in β ladder)trans-96.7139.4175.8166.5-89000110.4V21 H22Y6-V21 CarbonylContact O-C 3.55Å; Y6-V21 WeakPolarHBondContact O-CA 3.26Å; Y6-H22 HydrophobicContact CD1-CB 4.13Å; Y6-H22 AromaticContact CD1-CD2 3.55Å; Y6-H22 AromaticContact CD1-CG 3.95Å; Y6-H22 AromaticContact CE1-CD2 3.99Å; Y6-H22 PolarHBondContact N-O 3.43Å; Y6-H22 VanDerWaalsContact N-O 3.08Å; Y6-H22 PolarHBondContact O-N 3.16Å
7Y97.9Very high90.3Very high68 Ų6898.2 Ų98.227%0.26745%0.452SS..EExtended strand (participates in β ladder)trans-119.2125.2-179.8-59.7-95.5000108.1I5 V21 I47 Q48I5-Y7 HydrophobicContact CB-CE2 4.05Å; I5-Y7 HydrophobicContact CG2-CD2 4.35Å; I5-Y7 HydrophobicContact CG2-CE1 4.16Å; I5-Y7 HydrophobicContact CG2-CE2 3.69Å; I5-Y7 WeakPolarHBondContact O-CE2 3.49Å; Y7-V21 HydrophobicContact CD1-CG1 4.33Å; Y7-V21 HydrophobicContact CD1-CG2 3.63Å; Y7-V21 HydrophobicContact CE1-CG1 4.2Å; Y7-V21 HydrophobicContact CE1-CG2 3.98Å; Y7-I47 HydrophobicContact CE1-CG2 4.08Å; Y7-Q48 WeakPolarHBondContact CE1-O 3.4Å; Y7-Q48 PolarHBondContact OH-N 2.98Å; Y7-Q48 PolarHBondContact OH-O 2.69Å
8S97.8Very high90.8Very high6 Ų694.4 Ų94.44%0.04243%0.434CS..PPolyproline II helixtrans-70.1164177.480.30000112.4R19 H20S8-R19 WeakPolarHBondContact O-CD 3.4Å; S8-R19 PolarHBondContact O-NE 2.96Å; S8-R19 WeakPolarHBondContact OG-CG 3.43Å; S8-H20 WeakPolarHBondContact CB-CE1 3.36Å; S8-H20 VanDerWaalsContact CB-NE2 3.28Å; S8-H20 WeakPolarHBondContact CB-NE2 3.35Å; S8-H20 WeakPolarHBondContact CB-O 3.42Å; S8-H20 PolarHBondContact N-O 3.38Å; S8-H20 PolarHBondContact OG-N 2.87Å; S8-H20 PolarHBondContact OG-ND1 3.23Å; S8-H20 PolarHBondContact OG-O 3.06Å
9E97.6Very high91.2Very high158 Ų15892 Ų9274%0.73842%0.42SS*.PPolyproline II helixtrans-57.6154.9158.7-69.1-54.4143.400110.9
10K97.3Very high91.5Very high62 Ų6290.1 Ų90.127%0.2741%0.412SS..PPolyproline II helixtrans-80.4146.4177.1-60.3179.3179.5-167.30110.4Y12 E17 Y18 W53K10-Y12 HydrophobicContact CB-CE2 3.85Å; K10-Y12 WeakPolarHBondContact CD-OH 3.19Å; K10-E17 WeakPolarHBondContact CD-OE2 3.48Å; K10-E17 IonicContact NZ-OE2 3.62Å; K10-E17 PolarHBondContact NZ-OE2 3.24Å; K10-Y18 VanDerWaalsContact CA-O 3.25Å; K10-Y18 WeakPolarHBondContact CA-O 3.45Å; K10-W53 HydrophobicContact CD-CZ2 4.37Å
11Y97.9Very high91.8Very high95 Ų9585.8 Ų85.837%0.37339%0.392SS..EExtended strand (participates in β ladder)trans-131.5160.5169.754.4-81000109.1E17 Y18Y11-E17 CarbonylContact O-C 3.58Å; Y11-E17 WeakPolarHBondContact O-CA 3.2Å; Y11-Y18 VanDerWaalsContact CD2-CB 3.5Å; Y11-Y18 AromaticContact CD2-CD2 3.99Å; Y11-Y18 HydrophobicContact CD2-CD2 3.99Å; Y11-Y18 AromaticContact CD2-CG 3.97Å; Y11-Y18 HydrophobicContact CD2-CG 3.97Å; Y11-Y18 HydrophobicContact CE2-CD1 4.28Å; Y11-Y18 HydrophobicContact CE2-CD2 4.03Å; Y11-Y18 AromaticContact CE2-CG 3.6Å; Y11-Y18 HydrophobicContact CE2-CG 3.6Å; Y11-Y18 PolarHBondContact N-O 3.28Å; Y11-Y18 PolarHBondContact O-N 3.07Å
12Y97.4Very high94Very high115 Ų11579.6 Ų79.645%0.45136%0.361SS..EExtended strand (participates in β ladder)trans-138.5143.8-163.3-55.3-97000110.2K10 Y16 E17 R72K10-Y12 HydrophobicContact CB-CE2 3.85Å; K10-Y12 WeakPolarHBondContact CD-OH 3.19Å; Y12-Y16 WeakPolarHBondContact CA-O 3.48Å; Y12-E17 HydrophobicContact CD1-CB 3.38Å; Y12-E17 HydrophobicContact CE1-CB 3.36Å; Y12-E17 HydrophobicContact CE1-CG 4.42Å; Y12-E17 HydrophobicContact CG-CB 4.39Å; Y12-R72 HydrophobicContact CD1-CG 4.48Å
13D96.2Very high95.9Very high62 Ų6273.5 Ų73.533%0.33233%0.328SS..  trans-111.3-162.9156.874.51.7000109I15 Y16 Y18 R72D13-I15 VanDerWaalsContact C-N 3.26Å; D13-I15 PolarHBondContact O-N 2.94Å; D13-I15 PolarHBondContact OD1-N 3.12Å; D13-Y16 PolarHBondContact N-O 2.82Å; D13-Y16 PolarHBondContact OD1-N 3.18Å; D13-Y18 HydrophobicContact CB-CE2 4.08Å; D13-Y18 PolarHBondContact OD2-OH 3.24Å; D13-R72 WeakPolarHBondContact O-CD 3.5Å; D13-R72 PolarHBondContact O-NH1 2.98Å
14D95.1Very high96.9Very high143 Ų14365.6 Ų65.677%0.76530%0.301SS*.SBendtrans-71.1-17.2-179.1-63.3-34.1000114
15I95.6Very high97Very high95 Ų9568.3 Ų68.349%0.48731%0.307SS..SBendtrans-120.4-39.7-168.2-57.8177.3000112D13 R72D13-I15 VanDerWaalsContact C-N 3.26Å; D13-I15 PolarHBondContact O-N 2.94Å; D13-I15 PolarHBondContact OD1-N 3.12Å; I15-R72 PolarHBondContact O-N 2.73Å
16Y97.4Very high96.8Very high68 Ų6869.5 Ų69.527%0.26731%0.313SS..EExtended strand (participates in β ladder)trans-122.5150.4-170.6-61.8-71000112.3Y12 D13 R69 R70Y12-Y16 WeakPolarHBondContact CA-O 3.48Å; D13-Y16 PolarHBondContact N-O 2.82Å; D13-Y16 PolarHBondContact OD1-N 3.18Å; Y16-R69 HydrophobicContact CD1-CG 4.31Å; Y16-R70 CarbonylContact C-O 3.56Å; Y16-R70 VanDerWaalsContact CA-O 3.27Å; Y16-R70 WeakPolarHBondContact CA-O 3.4Å
17E97.8Very high96.7Very high1 Ų163.9 Ų63.91%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-103145.6157.968.9-172.9132.200109.4K10 Y11 Y12 W53 R69 R70K10-E17 WeakPolarHBondContact CD-OE2 3.48Å; K10-E17 IonicContact NZ-OE2 3.62Å; K10-E17 PolarHBondContact NZ-OE2 3.24Å; Y11-E17 CarbonylContact O-C 3.58Å; Y11-E17 WeakPolarHBondContact O-CA 3.2Å; Y12-E17 HydrophobicContact CD1-CB 3.38Å; Y12-E17 HydrophobicContact CE1-CB 3.36Å; Y12-E17 HydrophobicContact CE1-CG 4.42Å; Y12-E17 HydrophobicContact CG-CB 4.39Å; E17-W53 HydrophobicContact CG-CH2 3.85Å; E17-W53 HydrophobicContact CG-CZ2 4.28Å; E17-W53 HydrophobicContact CG-CZ3 4.34Å; E17-W53 WeakPolarHBondContact O-CZ3 3.43Å; E17-R69 CarbonylContact O-C 3.49Å; E17-R69 VanDerWaalsContact O-CA 3.24Å; E17-R69 WeakPolarHBondContact O-CA 3.35Å; E17-R70 HydrophobicContact CG-CG 3.36Å; E17-R70 PolarHBondContact N-O 3.35Å; E17-R70 PolarHBondContact O-N 2.89Å; E17-R70 WeakPolarHBondContact OE1-CD 3.4Å; E17-R70 WeakPolarHBondContact OE1-CG 3.37Å; E17-R70 IonicContact OE1-CZ 3Å; E17-R70 IonicContact OE1-NE 2.64Å; E17-R70 PolarHBondContact OE1-NE 2.8Å; E17-R70 IonicContact OE1-NH2 2.73Å; E17-R70 PolarHBondContact OE1-NH2 2.92Å; E17-R70 IonicContact OE2-CZ 3.64Å; E17-R70 IonicContact OE2-NE 3.39Å; E17-R70 PolarHBondContact OE2-NE 2.95Å; E17-R70 IonicContact OE2-NH2 2.98Å; E17-R70 PolarHBondContact OE2-NH2 3.21Å
18Y98.4Very high96.5Very high31 Ų3161.6 Ų61.612%0.12229%0.287CS..EExtended strand (participates in β ladder)trans-128.1153.1-171.2-59.3-91.8000110.7K10 Y11 D13 Y56 F68 R69K10-Y18 VanDerWaalsContact CA-O 3.25Å; K10-Y18 WeakPolarHBondContact CA-O 3.45Å; Y11-Y18 VanDerWaalsContact CD2-CB 3.5Å; Y11-Y18 AromaticContact CD2-CD2 3.99Å; Y11-Y18 HydrophobicContact CD2-CD2 3.99Å; Y11-Y18 AromaticContact CD2-CG 3.97Å; Y11-Y18 HydrophobicContact CD2-CG 3.97Å; Y11-Y18 HydrophobicContact CE2-CD1 4.28Å; Y11-Y18 HydrophobicContact CE2-CD2 4.03Å; Y11-Y18 AromaticContact CE2-CG 3.6Å; Y11-Y18 HydrophobicContact CE2-CG 3.6Å; Y11-Y18 PolarHBondContact N-O 3.28Å; Y11-Y18 PolarHBondContact O-N 3.07Å; D13-Y18 HydrophobicContact CB-CE2 4.08Å; D13-Y18 PolarHBondContact OD2-OH 3.24Å; Y18-Y56 AromaticContact CD1-CE1 3.98Å; Y18-Y56 HydrophobicContact CD1-CE1 3.98Å; Y18-Y56 HydrophobicContact CE1-CE1 4.36Å; Y18-Y56 HydrophobicContact CE1-CE2 4.48Å; Y18-F68 WeakPolarHBondContact CA-O 3.4Å; Y18-R69 HydrophobicContact CD1-CB 3.67Å; Y18-R69 HydrophobicContact CE1-CB 3.77Å
19R98.3Very high96.3Very high48 Ų4870 Ų7018%0.18132%0.323CS..EExtended strand (participates in β ladder)trans-155.9150.3171.4172.3176.6-73.4173-3.6108.3S8 W53 F68S8-R19 WeakPolarHBondContact O-CD 3.4Å; S8-R19 PolarHBondContact O-NE 2.96Å; S8-R19 WeakPolarHBondContact OG-CG 3.43Å; R19-W53 HydrophobicContact CB-CH2 3.72Å; R19-W53 HydrophobicContact CB-CZ2 4.34Å; R19-W53 HydrophobicContact CB-CZ3 4Å; R19-F68 PolarHBondContact N-O 3.33Å; R19-F68 VanDerWaalsContact N-O 3.1Å; R19-F68 PolarHBondContact O-N 3.06Å
20H98.5Very high96.2Very high53 Ų5368 Ų6825%0.24531%0.314CS..EExtended strand (participates in β ladder)trans-115145.5169.862.7-101.4000110.7S8 H22 I65 I66 L67S8-H20 WeakPolarHBondContact CB-CE1 3.36Å; S8-H20 VanDerWaalsContact CB-NE2 3.28Å; S8-H20 WeakPolarHBondContact CB-NE2 3.35Å; S8-H20 WeakPolarHBondContact CB-O 3.42Å; S8-H20 PolarHBondContact N-O 3.38Å; S8-H20 PolarHBondContact OG-N 2.87Å; S8-H20 PolarHBondContact OG-ND1 3.23Å; S8-H20 PolarHBondContact OG-O 3.06Å; H20-H22 AromaticContact CD2-CD2 3.41Å; H20-H22 PolarHBondContact CD2-CD2 3.42Å; H20-H22 VanDerWaalsContact CD2-CD2 3.41Å; H20-H22 AromaticContact CD2-NE2 3.13Å; H20-H22 PolarHBondContact CD2-NE2 2.73Å; H20-H22 AromaticContact NE2-CD2 3.92Å; H20-H22 AromaticContact NE2-NE2 3.31Å; H20-H22 PolarHBondContact NE2-NE2 2.77Å; H20-I65 HydrophobicContact CB-CG2 3.91Å; H20-I66 CarbonylContact C-O 3.58Å; H20-I66 WeakPolarHBondContact CA-O 3.41Å; H20-L67 HydrophobicContact CB-CD2 3.8Å
21V98.2Very high96.1Very high0 Ų066 Ų660%031%0.307CS..EExtended strand (participates in β ladder)trans-119.3126.5-177.7176.20000109.1I5 Y6 Y7 L23 I47 I65 I66 F68I5-V21 HydrophobicContact CG2-CG1 3.24Å; Y6-V21 CarbonylContact O-C 3.55Å; Y6-V21 WeakPolarHBondContact O-CA 3.26Å; Y7-V21 HydrophobicContact CD1-CG1 4.33Å; Y7-V21 HydrophobicContact CD1-CG2 3.63Å; Y7-V21 HydrophobicContact CE1-CG1 4.2Å; Y7-V21 HydrophobicContact CE1-CG2 3.98Å; V21-L23 HydrophobicContact CG1-CD2 4.43Å; V21-I47 HydrophobicContact CG1-CD1 4.13Å; V21-I47 HydrophobicContact CG1-CG1 4.14Å; V21-I47 HydrophobicContact CG1-CG2 4.38Å; V21-I47 HydrophobicContact CG2-CG2 4.41Å; V21-I65 CarbonylContact O-C 3.6Å; V21-I65 WeakPolarHBondContact O-CA 3.04Å; V21-I66 HydrophobicContact CB-CB 4.42Å; V21-I66 PolarHBondContact N-O 2.66Å; V21-I66 PolarHBondContact O-N 2.82Å; V21-F68 HydrophobicContact CB-CD2 4.34Å; V21-F68 HydrophobicContact CB-CE2 3.96Å; V21-F68 HydrophobicContact CG2-CD2 3.74Å; V21-F68 HydrophobicContact CG2-CE2 3.64Å
22H97.5Very high95.9Very high56 Ų5662.9 Ų62.926%0.25930%0.298SS..EExtended strand (participates in β ladder)trans-96.8119.4177.4-69.1-121.7000109.5Y6 H20 H64Y6-H22 HydrophobicContact CD1-CB 4.13Å; Y6-H22 AromaticContact CD1-CD2 3.55Å; Y6-H22 AromaticContact CD1-CG 3.95Å; Y6-H22 AromaticContact CE1-CD2 3.99Å; Y6-H22 PolarHBondContact N-O 3.43Å; Y6-H22 VanDerWaalsContact N-O 3.08Å; Y6-H22 PolarHBondContact O-N 3.16Å; H20-H22 AromaticContact CD2-CD2 3.41Å; H20-H22 PolarHBondContact CD2-CD2 3.42Å; H20-H22 VanDerWaalsContact CD2-CD2 3.41Å; H20-H22 AromaticContact CD2-NE2 3.13Å; H20-H22 PolarHBondContact CD2-NE2 2.73Å; H20-H22 AromaticContact NE2-CD2 3.92Å; H20-H22 AromaticContact NE2-NE2 3.31Å; H20-H22 PolarHBondContact NE2-NE2 2.77Å; H22-H64 WeakPolarHBondContact CA-O 3.21Å
23L96.7Very high95.7Very high9 Ų966.3 Ų66.35%0.04732%0.315CS..PPolyproline II helixtrans-89.2137.9176.9-67.6-178.5000111.2I5 V21 L27 A28 V31 L45 I47 H64 I66I5-L23 HydrophobicContact CD1-CD2 4.03Å; I5-L23 HydrophobicContact CG1-CD2 4.04Å; I5-L23 HydrophobicContact CG2-CD2 4.28Å; V21-L23 HydrophobicContact CG1-CD2 4.43Å; L23-L27 HydrophobicContact CB-CB 4.25Å; L23-L27 HydrophobicContact CD1-CB 4.49Å; L23-L27 HydrophobicContact CD2-CB 4.36Å; L23-L27 HydrophobicContact CD2-CD1 4.42Å; L23-A28 HydrophobicContact CB-CB 4.33Å; L23-V31 HydrophobicContact CD1-CG2 3.5Å; L23-L45 HydrophobicContact CD1-CD1 4.14Å; L23-I47 HydrophobicContact CD2-CD1 3.94Å; L23-I47 HydrophobicContact CD2-CG1 3.83Å; L23-H64 PolarHBondContact N-O 2.76Å; L23-I66 HydrophobicContact CD1-CD1 4.02Å; L23-I66 HydrophobicContact CD1-CG1 3.74Å; L23-I66 HydrophobicContact CG-CG1 4.05Å
24P95.7Very high95.6Very high19 Ų1970 Ų7012%0.12334%0.335CS..PPolyproline II helixtrans-50146.6160.4-26.633.5000111.7D26 L27 A28P24-D26 WeakPolarHBondContact CB-OD1 3.28Å; P24-D26 PolarHBondContact O-N 3.31Å; P24-L27 HydrophobicContact CG-CD1 4.33Å; P24-L27 PolarHBondContact O-N 3.43Å; P24-A28 PolarHBondContact O-N 3.35Å
25K91.8Very high95.6Very high186 Ų18666.7 Ų66.781%0.80932%0.315SS*.Hα-helixtrans-54.8-31.5-175.9-69.2-175.6178.4-179.50113.6K29K25-K29 WeakPolarHBondContact O-CG 3.36Å
26D93.4Very high95.8Very high52 Ų5265.9 Ų65.928%0.27831%0.311SS..Hα-helixtrans-71.3-33.217753-61.1000113.4P24P24-D26 WeakPolarHBondContact CB-OD1 3.28Å; P24-D26 PolarHBondContact O-N 3.31Å
27L94.6Very high95.8Very high15 Ų1563 Ų638%0.07930%0.3CS..Hα-helixtrans-81.1-36.6174.7-65.3-177.8000111.8I5 L23 P24 K29 Q30 L45I5-L27 HydrophobicContact CD1-CD1 3.92Å; I5-L27 HydrophobicContact CG1-CD1 4.03Å; L23-L27 HydrophobicContact CB-CB 4.25Å; L23-L27 HydrophobicContact CD1-CB 4.49Å; L23-L27 HydrophobicContact CD2-CB 4.36Å; L23-L27 HydrophobicContact CD2-CD1 4.42Å; P24-L27 HydrophobicContact CG-CD1 4.33Å; P24-L27 PolarHBondContact O-N 3.43Å; L27-K29 PolarHBondContact O-N 3.41Å; L27-K29 VanDerWaalsContact O-N 3.12Å; L27-Q30 WeakPolarHBondContact O-CB 3.34Å; L27-Q30 PolarHBondContact O-N 2.87Å; L27-L45 WeakPolarHBondContact CD1-O 3.26Å
28A94Very high95.8Very high20 Ų2065.6 Ų65.617%0.16532%0.319CS..Hα-helixtrans-56.9-29.7178.500000113.2L23 P24 Q30 V31 H64L23-A28 HydrophobicContact CB-CB 4.33Å; P24-A28 PolarHBondContact O-N 3.35Å; A28-Q30 PolarHBondContact O-N 3.13Å; A28-V31 WeakPolarHBondContact O-CB 3.29Å; A28-V31 WeakPolarHBondContact O-CG2 3.36Å; A28-V31 PolarHBondContact O-N 2.91Å; A28-H64 HydrophobicContact CB-CB 3.59Å
29K93.7Very high95.8Very high181 Ų18167.9 Ų67.979%0.78733%0.33SS*.THydrogen-bonded Turntrans-65.5-21.2176-69.3174.9-175.1-176.80114.1K25 L27K25-K29 WeakPolarHBondContact O-CG 3.36Å; L27-K29 PolarHBondContact O-N 3.41Å; L27-K29 VanDerWaalsContact O-N 3.12Å
30Q94.5Very high95.7Very high118 Ų11871.1 Ų71.155%0.55135%0.35SS*.THydrogen-bonded Turntrans-92.4-4.7-179.3-62.8174.265.300112.2L27 A28 P32 L45L27-Q30 WeakPolarHBondContact O-CB 3.34Å; L27-Q30 PolarHBondContact O-N 2.87Å; A28-Q30 PolarHBondContact O-N 3.13Å; Q30-P32 WeakPolarHBondContact O-CD 3.48Å; Q30-L45 HydrophobicContact CB-CD2 3.46Å; Q30-L45 VanDerWaalsContact CB-CD2 3.46Å; Q30-L45 HydrophobicContact CG-CD2 4.47Å
31V95.2Very high95.7Very high20 Ų2071.7 Ų71.712%0.12135%0.353CS..SBendtrans-70.3124.8178.4179.90000109.3L23 A28 M37 L45 I66L23-V31 HydrophobicContact CD1-CG2 3.5Å; A28-V31 WeakPolarHBondContact O-CB 3.29Å; A28-V31 WeakPolarHBondContact O-CG2 3.36Å; A28-V31 PolarHBondContact O-N 2.91Å; V31-M37 HydrophobicContact CG1-CE 4.18Å; V31-M37 HydrophobicContact CG1-SD 4.49Å; V31-L45 HydrophobicContact CG2-CD1 4.03Å; V31-I66 HydrophobicContact CG1-CD1 3.86Å; V31-I66 HydrophobicContact CG2-CD1 3.87Å
32P95.1Very high95.7Very high29 Ų2971.8 Ų71.819%0.18835%0.353CS..  trans-63.3139.7175.2-20.231.9000112.1Q30 H35 M37Q30-P32 WeakPolarHBondContact O-CD 3.48Å; P32-H35 WeakPolarHBondContact CB-CE1 3.38Å; P32-H35 VanDerWaalsContact CG-CE1 3.48Å; P32-H35 WeakPolarHBondContact CG-CE1 3.36Å; P32-M37 HydrophobicContact CG-CG 4Å
33K92.2Very high95.7Very high187 Ų18774 Ų7481%0.81336%0.359SS*.SBendtrans-95.4-17.1178.7-60.7-174.2178.9-176.50113.8
34N93.2Very high95.7Very high140 Ų14081.7 Ų81.775%0.74939%0.392SS*.SBendtrans-107.6-3.7-169.964.5-22.3000113.7
35H96.7Very high95.7Very high72 Ų7281.5 Ų81.533%0.33339%0.39SS..SBendtrans-156.9160.9178.467.6-84.4000111.7P32 E41P32-H35 WeakPolarHBondContact CB-CE1 3.38Å; P32-H35 VanDerWaalsContact CG-CE1 3.48Å; P32-H35 WeakPolarHBondContact CG-CE1 3.36Å; H35-E41 IonicContact NE2-OE1 3.48Å; H35-E41 PolarHBondContact NE2-OE1 2.89Å; H35-E41 IonicContact NE2-OE2 3.8Å
36L98.1Very high95.9Very high79 Ų7974.2 Ų74.241%0.41437%0.368SS..PPolyproline II helixtrans-79.2126.3171.2-64172000109.9S38 I58L36-S38 PolarHBondContact O-N 3.08Å; L36-I58 HydrophobicContact CD2-CG1 3.69Å
37M98.1Very high96Very high7 Ų771.8 Ų71.83%0.03436%0.355CS..PPolyproline II helixtrans-55.7129.3173.7-64.7-179.4-71.600113.6V31 P32 E41 W42 L45 H55 I66V31-M37 HydrophobicContact CG1-CE 4.18Å; V31-M37 HydrophobicContact CG1-SD 4.49Å; P32-M37 HydrophobicContact CG-CG 4Å; M37-E41 HydrophobicContact CB-CB 3.97Å; M37-E41 HydrophobicContact CG-CB 4.22Å; M37-W42 HydrophobicContact CB-CB 4.23Å; M37-W42 HydrophobicContact CE-CB 4.29Å; M37-W42 HydrophobicContact SD-CB 4.19Å; M37-L45 HydrophobicContact CE-CD1 4.21Å; M37-L45 HydrophobicContact SD-CD1 3.4Å; M37-L45 WeakPolarHBondContact SD-CD1 3.3Å; M37-L45 HydrophobicContact SD-CG 4.43Å; M37-H55 PolarHBondContact N-ND1 3.1Å; M37-I66 HydrophobicContact CE-CB 4.47Å; M37-I66 HydrophobicContact CE-CD1 3.75Å; M37-I66 HydrophobicContact CE-CG1 4.03Å; M37-I66 HydrophobicContact CE-CG2 3.59Å
38S97.8Very high96.2Very high56 Ų5678.1 Ų78.139%0.39238%0.384SS..PPolyproline II helixtrans-67.6166.9164.264.80000112.2L36 I40 E41 W42L36-S38 PolarHBondContact O-N 3.08Å; S38-I40 PolarHBondContact O-N 2.9Å; S38-E41 WeakPolarHBondContact CB-OE2 3.48Å; S38-E41 PolarHBondContact N-OE2 3.07Å; S38-E41 PolarHBondContact O-N 2.85Å; S38-E41 WeakPolarHBondContact OG-CG 3.44Å; S38-E41 PolarHBondContact OG-N 2.98Å; S38-E41 PolarHBondContact OG-OE2 2.96Å; S38-W42 PolarHBondContact O-N 3.11Å; S38-W42 VanDerWaalsContact O-N 3.08Å
39E98.1Very high96.3Very high79 Ų7978.2 Ų78.237%0.36938%0.381SS..Hα-helixtrans-53.2-40.4174.8176156.8-174.700113.6E41 W42 R43E39-E41 VanDerWaalsContact C-N 3.33Å; E39-E41 PolarHBondContact O-N 3Å; E39-W42 VanDerWaalsContact CA-CE2 3.49Å; E39-W42 VanDerWaalsContact CA-NE1 3.27Å; E39-W42 HydrophobicContact CB-CZ2 3.85Å; E39-W42 HydrophobicContact CG-CH2 3.9Å; E39-W42 HydrophobicContact CG-CZ2 3.45Å; E39-W42 VanDerWaalsContact CG-CZ2 3.45Å; E39-R43 HydrophobicContact CG-CG 4.38Å; E39-R43 VanDerWaalsContact O-CB 3.3Å; E39-R43 WeakPolarHBondContact O-CB 3.44Å; E39-R43 VanDerWaalsContact O-CG 3.24Å; E39-R43 WeakPolarHBondContact O-CG 3.39Å; E39-R43 PolarHBondContact O-N 3.08Å; E39-R43 VanDerWaalsContact O-N 3.11Å; E39-R43 IonicContact OE1-CZ 3.18Å; E39-R43 IonicContact OE1-NE 2.78Å; E39-R43 PolarHBondContact OE1-NE 3.01Å; E39-R43 IonicContact OE1-NH2 3.83Å; E39-R43 PolarHBondContact OE1-NH2 3.24Å
40I97.7Very high96.4Very high115 Ų11572.4 Ų72.459%0.5936%0.363SS*.Hα-helixtrans-65-40.4178.5-64.1172.2000110.7S38 K44S38-I40 PolarHBondContact O-N 2.9Å; I40-K44 HydrophobicContact CG2-CD 4.22Å; I40-K44 VanDerWaalsContact O-CG 3.25Å; I40-K44 WeakPolarHBondContact O-CG 3.25Å; I40-K44 PolarHBondContact O-N 3.03Å
41E97.8Very high96.5Very high65 Ų6570.2 Ų70.230%0.30437%0.365SS..Hα-helixtrans-71.7-48-176-71.5167.113000112.4H35 M37 S38 E39 R43 K44 L45H35-E41 IonicContact NE2-OE1 3.48Å; H35-E41 PolarHBondContact NE2-OE1 2.89Å; H35-E41 IonicContact NE2-OE2 3.8Å; M37-E41 HydrophobicContact CB-CB 3.97Å; M37-E41 HydrophobicContact CG-CB 4.22Å; S38-E41 WeakPolarHBondContact CB-OE2 3.48Å; S38-E41 PolarHBondContact N-OE2 3.07Å; S38-E41 PolarHBondContact O-N 2.85Å; S38-E41 WeakPolarHBondContact OG-CG 3.44Å; S38-E41 PolarHBondContact OG-N 2.98Å; S38-E41 PolarHBondContact OG-OE2 2.96Å; E39-E41 VanDerWaalsContact C-N 3.33Å; E39-E41 PolarHBondContact O-N 3Å; E41-R43 VanDerWaalsContact C-N 3.31Å; E41-R43 PolarHBondContact O-N 3.26Å; E41-K44 WeakPolarHBondContact O-CB 3.25Å; E41-K44 PolarHBondContact O-N 3.39Å; E41-K44 VanDerWaalsContact O-N 3.16Å; E41-L45 PolarHBondContact O-N 3.29Å
42W98Very high96.6Very high2 Ų271.4 Ų71.41%0.00838%0.382CS..Hα-helixtrans-69.9-30.217961-112.7000112.2M37 S38 E39 K44 L45 I47 Q49 F68M37-W42 HydrophobicContact CB-CB 4.23Å; M37-W42 HydrophobicContact CE-CB 4.29Å; M37-W42 HydrophobicContact SD-CB 4.19Å; S38-W42 PolarHBondContact O-N 3.11Å; S38-W42 VanDerWaalsContact O-N 3.08Å; E39-W42 VanDerWaalsContact CA-CE2 3.49Å; E39-W42 VanDerWaalsContact CA-NE1 3.27Å; E39-W42 HydrophobicContact CB-CZ2 3.85Å; E39-W42 HydrophobicContact CG-CH2 3.9Å; E39-W42 HydrophobicContact CG-CZ2 3.45Å; E39-W42 VanDerWaalsContact CG-CZ2 3.45Å; W42-K44 VanDerWaalsContact C-N 3.35Å; W42-L45 PolarHBondContact O-N 3.03Å; W42-I47 HydrophobicContact CB-CD1 4.17Å; W42-I47 HydrophobicContact CE3-CB 3.97Å; W42-I47 HydrophobicContact CE3-CG2 3.91Å; W42-I47 HydrophobicContact CZ3-CG2 4.39Å; W42-I47 WeakPolarHBondContact O-CB 3.48Å; W42-I47 PolarHBondContact O-N 2.86Å; W42-Q49 HydrophobicContact CH2-CG 3.71Å; W42-Q49 HydrophobicContact CZ2-CG 4.46Å; W42-Q49 HydrophobicContact CZ3-CG 3.76Å; W42-F68 HydrophobicContact CB-CE1 4.38Å; W42-F68 HydrophobicContact CB-CZ 4.13Å; W42-F68 AromaticContact CD1-CE1 3.66Å; W42-F68 HydrophobicContact CD2-CE1 4.02Å; W42-F68 HydrophobicContact CD2-CZ 4.27Å; W42-F68 AromaticContact CG-CE1 3.82Å; W42-F68 HydrophobicContact CG-CE1 3.82Å; W42-F68 AromaticContact CG-CZ 4Å; W42-F68 HydrophobicContact CG-CZ 4Å; W42-F68 AromaticContact NE1-CE1 3.7Å
43R97.3Very high96.7Very high104 Ų10470.2 Ų70.239%0.39237%0.373SS..Hα-helixtrans-65.5-36.8170.6-75.3-172.2-176.1-83.2-2.5112.1E39 E41 L45 G46 Q49E39-R43 HydrophobicContact CG-CG 4.38Å; E39-R43 VanDerWaalsContact O-CB 3.3Å; E39-R43 WeakPolarHBondContact O-CB 3.44Å; E39-R43 VanDerWaalsContact O-CG 3.24Å; E39-R43 WeakPolarHBondContact O-CG 3.39Å; E39-R43 PolarHBondContact O-N 3.08Å; E39-R43 VanDerWaalsContact O-N 3.11Å; E39-R43 IonicContact OE1-CZ 3.18Å; E39-R43 IonicContact OE1-NE 2.78Å; E39-R43 PolarHBondContact OE1-NE 3.01Å; E39-R43 IonicContact OE1-NH2 3.83Å; E39-R43 PolarHBondContact OE1-NH2 3.24Å; E41-R43 VanDerWaalsContact C-N 3.31Å; E41-R43 PolarHBondContact O-N 3.26Å; R43-L45 VanDerWaalsContact C-N 3.27Å; R43-L45 PolarHBondContact O-N 3Å; R43-G46 WeakPolarHBondContact O-CA 3.48Å; R43-G46 PolarHBondContact O-N 3.3Å; R43-Q49 PolarHBondContact NH2-O 3.45Å
44K96.5Very high97Very high170 Ų17065.2 Ų65.274%0.73936%0.358SS*.Hα-helixtrans-63.5-30.2174.9-79.4172.8178.6179.80112.9I40 E41 W42 G46I40-K44 HydrophobicContact CG2-CD 4.22Å; I40-K44 VanDerWaalsContact O-CG 3.25Å; I40-K44 WeakPolarHBondContact O-CG 3.25Å; I40-K44 PolarHBondContact O-N 3.03Å; E41-K44 WeakPolarHBondContact O-CB 3.25Å; E41-K44 PolarHBondContact O-N 3.39Å; E41-K44 VanDerWaalsContact O-N 3.16Å; W42-K44 VanDerWaalsContact C-N 3.35Å; K44-G46 PolarHBondContact O-N 3.38Å
45L95.3Very high97.3Very high14 Ų1458.8 Ų58.87%0.07332%0.324CS..THydrogen-bonded Turntrans-70.7-9.5171.6-65.5-177.9000113.4L23 L27 Q30 V31 M37 E41 W42 R43L23-L45 HydrophobicContact CD1-CD1 4.14Å; L27-L45 WeakPolarHBondContact CD1-O 3.26Å; Q30-L45 HydrophobicContact CB-CD2 3.46Å; Q30-L45 VanDerWaalsContact CB-CD2 3.46Å; Q30-L45 HydrophobicContact CG-CD2 4.47Å; V31-L45 HydrophobicContact CG2-CD1 4.03Å; M37-L45 HydrophobicContact CE-CD1 4.21Å; M37-L45 HydrophobicContact SD-CD1 3.4Å; M37-L45 WeakPolarHBondContact SD-CD1 3.3Å; M37-L45 HydrophobicContact SD-CG 4.43Å; E41-L45 PolarHBondContact O-N 3.29Å; W42-L45 PolarHBondContact O-N 3.03Å; R43-L45 VanDerWaalsContact C-N 3.27Å; R43-L45 PolarHBondContact O-N 3Å
46G96Very high97.3Very high33 Ų3358 Ų5834%0.3432%0.318SS..THydrogen-bonded Turntrans92.35.8-177.400000114.2I5 R43 K44 Q48I5-G46 WeakPolarHBondContact CD1-O 3.46Å; R43-G46 WeakPolarHBondContact O-CA 3.48Å; R43-G46 PolarHBondContact O-N 3.3Å; K44-G46 PolarHBondContact O-N 3.38Å; G46-Q48 PolarHBondContact O-N 3.07Å
47I97.3Very high97.2Very high1 Ų159 Ų591%0.00532%0.322CS..  trans-66.4126.1171.8-60.9176.1000108.4I5 Y7 V21 L23 W42 I66 F68I5-I47 HydrophobicContact CD1-CG1 4.26Å; Y7-I47 HydrophobicContact CE1-CG2 4.08Å; V21-I47 HydrophobicContact CG1-CD1 4.13Å; V21-I47 HydrophobicContact CG1-CG1 4.14Å; V21-I47 HydrophobicContact CG1-CG2 4.38Å; V21-I47 HydrophobicContact CG2-CG2 4.41Å; L23-I47 HydrophobicContact CD2-CD1 3.94Å; L23-I47 HydrophobicContact CD2-CG1 3.83Å; W42-I47 HydrophobicContact CB-CD1 4.17Å; W42-I47 HydrophobicContact CE3-CB 3.97Å; W42-I47 HydrophobicContact CE3-CG2 3.91Å; W42-I47 HydrophobicContact CZ3-CG2 4.39Å; W42-I47 WeakPolarHBondContact O-CB 3.48Å; W42-I47 PolarHBondContact O-N 2.86Å; I47-I66 HydrophobicContact CD1-CB 4.42Å; I47-I66 HydrophobicContact CD1-CG1 4.15Å; I47-I66 HydrophobicContact CD1-CG2 4.5Å; I47-F68 HydrophobicContact CD1-CE2 4.09Å; I47-F68 HydrophobicContact CD1-CZ 3.91Å; I47-F68 HydrophobicContact CG2-CE2 4.18Å; I47-F68 HydrophobicContact CG2-CZ 4.09Å
48Q96.9Very high97.1Very high149 Ų14961.6 Ų61.670%0.69634%0.336SS*.  trans-121.5119.3-179.2-67.3-179.33.800109.9Y7 G46Y7-Q48 WeakPolarHBondContact CE1-O 3.4Å; Y7-Q48 PolarHBondContact OH-N 2.98Å; Y7-Q48 PolarHBondContact OH-O 2.69Å; G46-Q48 PolarHBondContact O-N 3.07Å
49Q96.9Very high97Very high21 Ų2161.7 Ų61.710%0.09833%0.33CS..  trans-153.1167.5175.556.6-169.32.700109.7W42 R43 W53W42-Q49 HydrophobicContact CH2-CG 3.71Å; W42-Q49 HydrophobicContact CZ2-CG 4.46Å; W42-Q49 HydrophobicContact CZ3-CG 3.76Å; R43-Q49 PolarHBondContact NH2-O 3.45Å; Q49-W53 VanDerWaalsContact CD-CB 3.5Å; Q49-W53 HydrophobicContact CG-CB 4.11Å; Q49-W53 HydrophobicContact CG-CG 4.06Å
50S96.7Very high96.7Very high60 Ų6066 Ų6642%0.4235%0.35SS..  trans-59.6169.8175.555.60000112.2W53 R70S50-W53 VanDerWaalsContact O-CD1 3.28Å; S50-W53 PolarHBondContact OG-NE1 2.83Å; S50-R70 PolarHBondContact OG-NH1 3.02Å
51A95.8Very high96.5Very high72 Ų7265.5 Ų65.560%0.59535%0.354SS*.THydrogen-bonded Turntrans-64.7159.5175.800000112.9R70A51-R70 PolarHBondContact O-NH1 3.29Å
52G96.6Very high96.4Very high45 Ų4566.4 Ų66.446%0.46436%0.358SS..THydrogen-bonded Turntrans90.3-8.4170.600000115.8R70G52-R70 WeakPolarHBondContact O-CB 3.35Å
53W98.4Very high96.1Very high3 Ų369.4 Ų69.41%0.01138%0.378CS..  trans-73.2130177.2-71.7106.5000112.5K10 E17 R19 Q49 S50 F68 R70K10-W53 HydrophobicContact CD-CZ2 4.37Å; E17-W53 HydrophobicContact CG-CH2 3.85Å; E17-W53 HydrophobicContact CG-CZ2 4.28Å; E17-W53 HydrophobicContact CG-CZ3 4.34Å; E17-W53 WeakPolarHBondContact O-CZ3 3.43Å; R19-W53 HydrophobicContact CB-CH2 3.72Å; R19-W53 HydrophobicContact CB-CZ2 4.34Å; R19-W53 HydrophobicContact CB-CZ3 4Å; Q49-W53 VanDerWaalsContact CD-CB 3.5Å; Q49-W53 HydrophobicContact CG-CB 4.11Å; Q49-W53 HydrophobicContact CG-CG 4.06Å; S50-W53 VanDerWaalsContact O-CD1 3.28Å; S50-W53 PolarHBondContact OG-NE1 2.83Å; W53-F68 HydrophobicContact CB-CB 4.47Å; W53-F68 HydrophobicContact CB-CD1 4.25Å; W53-F68 HydrophobicContact CD2-CB 4.3Å; W53-F68 HydrophobicContact CE3-CB 3.58Å; W53-F68 HydrophobicContact CZ3-CB 4.16Å; W53-R70 HydrophobicContact CD2-CB 4.3Å; W53-R70 HydrophobicContact CD2-CG 3.92Å; W53-R70 HydrophobicContact CE3-CB 4.16Å; W53-R70 HydrophobicContact CE3-CG 3.93Å; W53-R70 HydrophobicContact CG-CG 4.49Å; W53-R70 HydrophobicContact CH2-CG 4.32Å; W53-R70 HydrophobicContact CZ2-CG 4.27Å; W53-R70 HydrophobicContact CZ3-CG 4.15Å
54V98.4Very high96Very high82 Ų8267.6 Ų67.650%0.49737%0.374SS..EExtended strand (participates in β ladder)trans-118.7127.8-179.9-1790000109.3Y56 F68 R69V54-Y56 PolarHBondContact O-N 2.86Å; V54-F68 CarbonylContact O-C 3.57Å; V54-F68 VanDerWaalsContact O-CA 3.29Å; V54-F68 WeakPolarHBondContact O-CA 3.21Å; V54-R69 PolarHBondContact N-O 3.5Å; V54-R69 PolarHBondContact O-N 2.73Å
55H98.5Very high96.1Very high6 Ų660.2 Ų60.23%0.02834%0.342CS..EExtended strand (participates in β ladder)trans-70.5110.4168.5174.4-137.4000108.3M37 M57 I66 L67 F68M37-H55 PolarHBondContact N-ND1 3.1Å; H55-M57 PolarHBondContact NE2-O 2.88Å; H55-I66 VanDerWaalsContact CD2-CG2 3.43Å; H55-I66 WeakPolarHBondContact CD2-CG2 3.27Å; H55-L67 WeakPolarHBondContact CA-O 3.24Å; H55-L67 PolarHBondContact CD2-O 2.75Å; H55-F68 HydrophobicContact CB-CD1 4.15Å; H55-F68 HydrophobicContact CB-CE1 3.9Å
56Y97.9Very high96.2Very high54 Ų5459.7 Ų59.721%0.21234%0.339CS..EExtended strand (participates in β ladder)trans-108.4-15.1-163.678.2-83.8000114.7Y18 V54 L67 R69Y18-Y56 AromaticContact CD1-CE1 3.98Å; Y18-Y56 HydrophobicContact CD1-CE1 3.98Å; Y18-Y56 HydrophobicContact CE1-CE1 4.36Å; Y18-Y56 HydrophobicContact CE1-CE2 4.48Å; V54-Y56 PolarHBondContact O-N 2.86Å; Y56-L67 HydrophobicContact CD1-CB 4.11Å; Y56-L67 VanDerWaalsContact CD1-O 3.26Å; Y56-L67 WeakPolarHBondContact CD1-O 3.24Å; Y56-L67 HydrophobicContact CE1-CB 3.58Å; Y56-L67 PolarHBondContact N-O 3.49Å; Y56-L67 VanDerWaalsContact N-O 3.07Å; Y56-R69 HydrophobicContact CD1-CB 3.8Å; Y56-R69 HydrophobicContact CD1-CG 3.96Å; Y56-R69 HydrophobicContact CE1-CB 4.23Å; Y56-R69 HydrophobicContact CG-CB 4.22Å; Y56-R69 HydrophobicContact CG-CG 3.91Å
57M96.6Very high96.3Very high100 Ų10059 Ų5949%0.49333%0.328SS..EExtended strand (participates in β ladder)trans-156136.9-175.9-176.4-178.1-73.400110.3H55 L67H55-M57 PolarHBondContact NE2-O 2.88Å; M57-L67 HydrophobicContact CB-CD1 4.07Å; M57-L67 HydrophobicContact CG-CD1 4.22Å; M57-L67 HydrophobicContact SD-CD1 4.12Å
58I95.9Very high96.4Very high63 Ų6359 Ų5932%0.32333%0.328SS..EExtended strand (participates in β ladder)trans-82.2124.6170.5-58.9-179.1000108.1L36 E60L36-I58 HydrophobicContact CD2-CG1 3.69Å; I58-E60 HydrophobicContact CG2-CG 4.44Å; I58-E60 PolarHBondContact O-N 2.81Å
59H94.2Very high96.5Very high58 Ų5856 Ų5627%0.26931%0.31SS..  trans-90.990.2173.8-164.938.7000110.2E62 L67H59-E62 IonicContact NE2-OE2 3.92Å; H59-E62 CarbonylContact O-C 3.22Å; H59-E62 VanDerWaalsContact O-C 3.22Å; H59-E62 PolarHBondContact O-N 3.45Å; H59-L67 HydrophobicContact CB-CD1 4.03Å; H59-L67 HydrophobicContact CB-CG 4.3Å
60E91.6Very high96.5Very high169 Ų16956.5 Ų56.579%0.7931%0.311SS*.SBendtrans-57.7-40.8-174.9-62.9-171.912400114.9I58 E62I58-E60 HydrophobicContact CG2-CG 4.44Å; I58-E60 PolarHBondContact O-N 2.81Å; E60-E62 VanDerWaalsContact C-N 3.31Å; E60-E62 PolarHBondContact O-N 2.92Å
61P94Very high96.5Very high104 Ų10456.4 Ų56.468%0.67531%0.31SS*.SBendtrans-63.4-36.5178.8-24.736.1000113.2
62E95.3Very high96.4Very high85 Ų8555.3 Ų55.340%0.39729%0.291SS..  trans-132.778.2-175.6-61.6-174.579.300110.9H59 E60 H64 I65H59-E62 IonicContact NE2-OE2 3.92Å; H59-E62 CarbonylContact O-C 3.22Å; H59-E62 VanDerWaalsContact O-C 3.22Å; H59-E62 PolarHBondContact O-N 3.45Å; E60-E62 VanDerWaalsContact C-N 3.31Å; E60-E62 PolarHBondContact O-N 2.92Å; E62-H64 PolarHBondContact O-N 3.33Å; E62-H64 IonicContact OE1-CE1 2.89Å; E62-H64 PolarHBondContact OE1-CE1 3.42Å; E62-H64 IonicContact OE1-NE2 3.5Å; E62-I65 HydrophobicContact CB-CB 4.47Å; E62-I65 HydrophobicContact CB-CD1 3.79Å; E62-I65 HydrophobicContact CB-CG1 3.99Å; E62-I65 HydrophobicContact CG-CD1 4.38Å; E62-I65 WeakPolarHBondContact O-CB 3.33Å; E62-I65 PolarHBondContact O-N 3.35Å
63P92.9Very high96Very high65 Ų6558 Ų5842%0.42230%0.298SS..THydrogen-bonded Turntrans-63.7-12.8-174.5-23.834.1000115I65P63-I65 VanDerWaalsContact C-N 3.25Å
64H95.3Very high95.6Very high65 Ų6562.4 Ų62.430%0.30132%0.322SS..THydrogen-bonded Turntrans-81.1-7.6175.265.5-77.6000112.3H22 L23 A28 E62H22-H64 WeakPolarHBondContact CA-O 3.21Å; L23-H64 PolarHBondContact N-O 2.76Å; A28-H64 HydrophobicContact CB-CB 3.59Å; E62-H64 PolarHBondContact O-N 3.33Å; E62-H64 IonicContact OE1-CE1 2.89Å; E62-H64 PolarHBondContact OE1-CE1 3.42Å; E62-H64 IonicContact OE1-NE2 3.5Å
65I97.4Very high94.9Very high16 Ų1662.1 Ų62.18%0.08232%0.317CS..EExtended strand (participates in β ladder)trans-99.8115.6173.2-56.9-178.2000108.5H20 V21 E62 P63 L67H20-I65 HydrophobicContact CB-CG2 3.91Å; V21-I65 CarbonylContact O-C 3.6Å; V21-I65 WeakPolarHBondContact O-CA 3.04Å; E62-I65 HydrophobicContact CB-CB 4.47Å; E62-I65 HydrophobicContact CB-CD1 3.79Å; E62-I65 HydrophobicContact CB-CG1 3.99Å; E62-I65 HydrophobicContact CG-CD1 4.38Å; E62-I65 WeakPolarHBondContact O-CB 3.33Å; E62-I65 PolarHBondContact O-N 3.35Å; P63-I65 VanDerWaalsContact C-N 3.25Å; I65-L67 HydrophobicContact CG2-CD2 3.89Å
66I98.1Very high93.6Very high2 Ų271 Ų711%0.0136%0.359CS..EExtended strand (participates in β ladder)trans-100.8123.3178.5-48.3-53.9000109.3H20 V21 L23 V31 M37 I47 H55 F68H20-I66 CarbonylContact C-O 3.58Å; H20-I66 WeakPolarHBondContact CA-O 3.41Å; V21-I66 HydrophobicContact CB-CB 4.42Å; V21-I66 PolarHBondContact N-O 2.66Å; V21-I66 PolarHBondContact O-N 2.82Å; L23-I66 HydrophobicContact CD1-CD1 4.02Å; L23-I66 HydrophobicContact CD1-CG1 3.74Å; L23-I66 HydrophobicContact CG-CG1 4.05Å; V31-I66 HydrophobicContact CG1-CD1 3.86Å; V31-I66 HydrophobicContact CG2-CD1 3.87Å; M37-I66 HydrophobicContact CE-CB 4.47Å; M37-I66 HydrophobicContact CE-CD1 3.75Å; M37-I66 HydrophobicContact CE-CG1 4.03Å; M37-I66 HydrophobicContact CE-CG2 3.59Å; I47-I66 HydrophobicContact CD1-CB 4.42Å; I47-I66 HydrophobicContact CD1-CG1 4.15Å; I47-I66 HydrophobicContact CD1-CG2 4.5Å; H55-I66 VanDerWaalsContact CD2-CG2 3.43Å; H55-I66 WeakPolarHBondContact CD2-CG2 3.27Å; I66-F68 HydrophobicContact CB-CD2 4.46Å; I66-F68 HydrophobicContact CB-CE2 3.76Å; I66-F68 HydrophobicContact CB-CZ 4.27Å; I66-F68 HydrophobicContact CG2-CD2 4.08Å; I66-F68 HydrophobicContact CG2-CE1 4.21Å; I66-F68 HydrophobicContact CG2-CE2 3.35Å; I66-F68 HydrophobicContact CG2-CZ 3.42Å; I66-F68 VanDerWaalsContact CG2-CZ 3.42Å
67L98.3Very high92Very high19 Ų1973 Ų7310%0.09937%0.37CS..EExtended strand (participates in β ladder)trans-96.5116.4-174.6-56.7-179.3000111H20 H55 Y56 M57 H59 I65H20-L67 HydrophobicContact CB-CD2 3.8Å; H55-L67 WeakPolarHBondContact CA-O 3.24Å; H55-L67 PolarHBondContact CD2-O 2.75Å; Y56-L67 HydrophobicContact CD1-CB 4.11Å; Y56-L67 VanDerWaalsContact CD1-O 3.26Å; Y56-L67 WeakPolarHBondContact CD1-O 3.24Å; Y56-L67 HydrophobicContact CE1-CB 3.58Å; Y56-L67 PolarHBondContact N-O 3.49Å; Y56-L67 VanDerWaalsContact N-O 3.07Å; M57-L67 HydrophobicContact CB-CD1 4.07Å; M57-L67 HydrophobicContact CG-CD1 4.22Å; M57-L67 HydrophobicContact SD-CD1 4.12Å; H59-L67 HydrophobicContact CB-CD1 4.03Å; H59-L67 HydrophobicContact CB-CG 4.3Å; I65-L67 HydrophobicContact CG2-CD2 3.89Å
68F98.7Very high90.3Very high0 Ų074 Ų740%038%0.384CS..EExtended strand (participates in β ladder)trans-111.6146.1179.1-65.5-83.3000111.9Y18 R19 V21 W42 I47 W53 V54 H55 I66Y18-F68 WeakPolarHBondContact CA-O 3.4Å; R19-F68 PolarHBondContact N-O 3.33Å; R19-F68 VanDerWaalsContact N-O 3.1Å; R19-F68 PolarHBondContact O-N 3.06Å; V21-F68 HydrophobicContact CB-CD2 4.34Å; V21-F68 HydrophobicContact CB-CE2 3.96Å; V21-F68 HydrophobicContact CG2-CD2 3.74Å; V21-F68 HydrophobicContact CG2-CE2 3.64Å; W42-F68 HydrophobicContact CB-CE1 4.38Å; W42-F68 HydrophobicContact CB-CZ 4.13Å; W42-F68 AromaticContact CD1-CE1 3.66Å; W42-F68 HydrophobicContact CD2-CE1 4.02Å; W42-F68 HydrophobicContact CD2-CZ 4.27Å; W42-F68 AromaticContact CG-CE1 3.82Å; W42-F68 HydrophobicContact CG-CE1 3.82Å; W42-F68 AromaticContact CG-CZ 4Å; W42-F68 HydrophobicContact CG-CZ 4Å; W42-F68 AromaticContact NE1-CE1 3.7Å; I47-F68 HydrophobicContact CD1-CE2 4.09Å; I47-F68 HydrophobicContact CD1-CZ 3.91Å; I47-F68 HydrophobicContact CG2-CE2 4.18Å; I47-F68 HydrophobicContact CG2-CZ 4.09Å; W53-F68 HydrophobicContact CB-CB 4.47Å; W53-F68 HydrophobicContact CB-CD1 4.25Å; W53-F68 HydrophobicContact CD2-CB 4.3Å; W53-F68 HydrophobicContact CE3-CB 3.58Å; W53-F68 HydrophobicContact CZ3-CB 4.16Å; V54-F68 CarbonylContact O-C 3.57Å; V54-F68 VanDerWaalsContact O-CA 3.29Å; V54-F68 WeakPolarHBondContact O-CA 3.21Å; H55-F68 HydrophobicContact CB-CD1 4.15Å; H55-F68 HydrophobicContact CB-CE1 3.9Å; I66-F68 HydrophobicContact CB-CD2 4.46Å; I66-F68 HydrophobicContact CB-CE2 3.76Å; I66-F68 HydrophobicContact CB-CZ 4.27Å; I66-F68 HydrophobicContact CG2-CD2 4.08Å; I66-F68 HydrophobicContact CG2-CE1 4.21Å; I66-F68 HydrophobicContact CG2-CE2 3.35Å; I66-F68 HydrophobicContact CG2-CZ 3.42Å; I66-F68 VanDerWaalsContact CG2-CZ 3.42Å
69R98.3Very high88.4Confident86 Ų8676.5 Ų76.533%0.32540%0.403SS..EExtended strand (participates in β ladder)trans-134.3155.3166.577.1-174.9173.8173.5-4.2110.6Y16 E17 Y18 V54 Y56Y16-R69 HydrophobicContact CD1-CG 4.31Å; E17-R69 CarbonylContact O-C 3.49Å; E17-R69 VanDerWaalsContact O-CA 3.24Å; E17-R69 WeakPolarHBondContact O-CA 3.35Å; Y18-R69 HydrophobicContact CD1-CB 3.67Å; Y18-R69 HydrophobicContact CE1-CB 3.77Å; V54-R69 PolarHBondContact N-O 3.5Å; V54-R69 PolarHBondContact O-N 2.73Å; Y56-R69 HydrophobicContact CD1-CB 3.8Å; Y56-R69 HydrophobicContact CD1-CG 3.96Å; Y56-R69 HydrophobicContact CE1-CB 4.23Å; Y56-R69 HydrophobicContact CG-CB 4.22Å; Y56-R69 HydrophobicContact CG-CG 3.91Å
70R97.5Very high86.5Confident32 Ų3279.7 Ų79.712%0.12143%0.431CS..EExtended strand (participates in β ladder)trans-146.8159.6163.765.6-177.3-178.9149.621.1110.4Y16 E17 S50 A51 G52 W53 R72Y16-R70 CarbonylContact C-O 3.56Å; Y16-R70 VanDerWaalsContact CA-O 3.27Å; Y16-R70 WeakPolarHBondContact CA-O 3.4Å; E17-R70 HydrophobicContact CG-CG 3.36Å; E17-R70 PolarHBondContact N-O 3.35Å; E17-R70 PolarHBondContact O-N 2.89Å; E17-R70 WeakPolarHBondContact OE1-CD 3.4Å; E17-R70 WeakPolarHBondContact OE1-CG 3.37Å; E17-R70 IonicContact OE1-CZ 3Å; E17-R70 IonicContact OE1-NE 2.64Å; E17-R70 PolarHBondContact OE1-NE 2.8Å; E17-R70 IonicContact OE1-NH2 2.73Å; E17-R70 PolarHBondContact OE1-NH2 2.92Å; E17-R70 IonicContact OE2-CZ 3.64Å; E17-R70 IonicContact OE2-NE 3.39Å; E17-R70 PolarHBondContact OE2-NE 2.95Å; E17-R70 IonicContact OE2-NH2 2.98Å; E17-R70 PolarHBondContact OE2-NH2 3.21Å; S50-R70 PolarHBondContact OG-NH1 3.02Å; A51-R70 PolarHBondContact O-NH1 3.29Å; G52-R70 WeakPolarHBondContact O-CB 3.35Å; W53-R70 HydrophobicContact CD2-CB 4.3Å; W53-R70 HydrophobicContact CD2-CG 3.92Å; W53-R70 HydrophobicContact CE3-CB 4.16Å; W53-R70 HydrophobicContact CE3-CG 3.93Å; W53-R70 HydrophobicContact CG-CG 4.49Å; W53-R70 HydrophobicContact CH2-CG 4.32Å; W53-R70 HydrophobicContact CZ2-CG 4.27Å; W53-R70 HydrophobicContact CZ3-CG 4.15Å; R70-R72 PolarHBondContact O-N 2.78Å
71S96.3Very high84.3Confident58 Ų5877.7 Ų77.741%0.40643%0.431SS..EExtended strand (participates in β ladder)trans-53.8138.7172.9-68.80000110.7T73 Q77S71-T73 PolarHBondContact O-N 2.98Å; S71-Q77 VanDerWaalsContact CB-NE2 3.35Å; S71-Q77 PolarHBondContact OG-NE2 3.39Å
72R93.8Very high82Confident50 Ų5077.2 Ų77.219%0.18944%0.436CS..  trans-56.3127.9175.7-79.5-172.374.8162.90.4111.1Y12 D13 I15 R70 D74 I75Y12-R72 HydrophobicContact CD1-CG 4.48Å; D13-R72 WeakPolarHBondContact O-CD 3.5Å; D13-R72 PolarHBondContact O-NH1 2.98Å; I15-R72 PolarHBondContact O-N 2.73Å; R70-R72 PolarHBondContact O-N 2.78Å; R72-D74 WeakPolarHBondContact CB-OD1 3.37Å; R72-D74 IonicContact CZ-OD1 3.22Å; R72-D74 IonicContact CZ-OD2 2.76Å; R72-D74 IonicContact NE-OD1 2.66Å; R72-D74 PolarHBondContact NE-OD1 2.64Å; R72-D74 IonicContact NE-OD2 3.68Å; R72-D74 PolarHBondContact NE-OD2 3.29Å; R72-D74 IonicContact NH2-OD1 3.48Å; R72-D74 IonicContact NH2-OD2 2.82Å; R72-D74 PolarHBondContact NH2-OD2 3.2Å; R72-I75 HydrophobicContact CB-CB 4.42Å; R72-I75 HydrophobicContact CB-CG1 4.49Å
73T89.2Confident79.7Confident101 Ų10177.7 Ų77.762%0.6245%0.454SS*.SBendtrans-89.3-11.7176.958.70000112.8S71S71-T73 PolarHBondContact O-N 2.98Å
74D88.6Confident77.4Confident96 Ų9682 Ų8251%0.51347%0.474SS..SBendtrans-99.2-14.8-175.563.6-42.5000113.7R72R72-D74 WeakPolarHBondContact CB-OD1 3.37Å; R72-D74 IonicContact CZ-OD1 3.22Å; R72-D74 IonicContact CZ-OD2 2.76Å; R72-D74 IonicContact NE-OD1 2.66Å; R72-D74 PolarHBondContact NE-OD1 2.64Å; R72-D74 IonicContact NE-OD2 3.68Å; R72-D74 PolarHBondContact NE-OD2 3.29Å; R72-D74 IonicContact NH2-OD1 3.48Å; R72-D74 IonicContact NH2-OD2 2.82Å; R72-D74 PolarHBondContact NH2-OD2 3.2Å
75I84.5Confident75.3Confident76 Ų7688 Ų8839%0.3950%0.499SS..SBendtrans-105.6128172.6-56.4-177.1000108.3R72 Q77R72-I75 HydrophobicContact CB-CB 4.42Å; R72-I75 HydrophobicContact CB-CG1 4.49Å; I75-Q77 PolarHBondContact O-N 3.08Å
76Q70.3Confident72.7Confident192 Ų19293.4 Ų93.490%0.89753%0.533SS*.  trans-66.4101.3169.2-68.2178.526.300108.1
77Q64.3Low70.3Confident95 Ų95101.4 Ų101.444%0.44457%0.57SS.*  trans-59.6136167.5-70.6-173.44.800107.7S71 I75 T79S71-Q77 VanDerWaalsContact CB-NE2 3.35Å; S71-Q77 PolarHBondContact OG-NE2 3.39Å; I75-Q77 PolarHBondContact O-N 3.08Å; Q77-T79 PolarHBondContact O-N 3.16Å
78P62.5Low68Low122 Ų122105.7 Ų105.779%0.79260%0.602SS**  trans-57.1110.1172.522.4-29.5000106.8S80P78-S80 PolarHBondContact O-N 3.28Å; P78-S80 VanDerWaalsContact O-N 3.08Å
79T55.6Low65.7Low116 Ų116109 Ų10971%0.71264%0.636SS**  trans-57.6118.5-179.943.70000107.3Q77 T81Q77-T79 PolarHBondContact O-N 3.16Å; T79-T81 PolarHBondContact O-N 2.97Å
80S54.7Low63.4Low125 Ų125114.2 Ų114.287%0.87466%0.664SS**  trans-65.274.9166.6-60.90000108.8P78 A82P78-S80 PolarHBondContact O-N 3.28Å; P78-S80 VanDerWaalsContact O-N 3.08Å; S80-A82 PolarHBondContact O-N 2.86Å; S80-A82 VanDerWaalsContact O-N 3.16Å
81T44.2Very low61.7Low126 Ų126118.9 Ų118.977%0.77370%0.696SS**  trans-82.276.5167.4-55.50000106.4T79T79-T81 PolarHBondContact O-N 2.97Å
82A45.8Very low59.9Low95 Ų95121.7 Ų121.779%0.78571%0.713SS**  trans-15774175.800000111.8S80S80-A82 PolarHBondContact O-N 2.86Å; S80-A82 VanDerWaalsContact O-N 3.16Å
83A48.3Very low58.7Low95 Ų95128.3 Ų128.379%0.78575%0.748SS**  trans-153.969.2159.400000109.6
84N44.5Very low57.1Low155 Ų155132.8 Ų132.883%0.82976%0.762SS**  trans-167.877.7154-94.7-12.8000109
85K49.6Very low55.6Low190 Ų190136.4 Ų136.483%0.82681%0.805SS**  trans-123.989.7153.8-82.6-167.9176.3-171.70107E87K85-E87 PolarHBondContact O-N 2.69Å
86T43.3Very low54.2Low131 Ų131139.4 Ų139.480%0.80483%0.825SS**  trans-78.995.8162.5-57.50000106.5
87E47.3Very low53.3Low169 Ų169136.6 Ų136.679%0.7982%0.822SS**  trans-99.5109.6169.6-145.3172.612900106.6K85K85-E87 PolarHBondContact O-N 2.69Å
88S51.1Low52.7Low110 Ų110138.9 Ų138.977%0.76984%0.843SS**  trans-144.196.7168.9-73.40000108.5
89G50.2Low52.2Low70 Ų70139.9 Ų139.972%0.72285%0.846SS**  trans49.3115.6144.400000119
90Q49.9Very low51.9Low194 Ų194141.4 Ų141.491%0.90785%0.854SS**  -170.3136.6105.8-151.4116.8-2.200109.8
91V61.3Low51.8Low130 Ų130142.5 Ų142.579%0.78885%0.853SS**PPolyproline II helixtrans-77.2139.7-174.4-144.90000111.1
92P58.6Low52.3Low118 Ų118143.7 Ų143.777%0.76686%0.858SS**PPolyproline II helixtrans-91.8124.1166.132.2-26.2000110.5
93M69Low52.8Low188 Ų188147.5 Ų147.593%0.92686%0.864SS**PPolyproline II helixtrans-96.1124.2160-68.6-167.9-148.300108.3
94H56Low53.2Low196 Ų196151.8 Ų151.891%0.90787%0.871SS**PPolyproline II helixtrans-74139.8171.8-88.5-44.6000111.4
95A57.3Low54Low171 Ų171151.5 Ų151.5100%1.41387%0.874SS**  trans-124.70149.800000107.5

Retrieved 95 of 95 residues in 18.7 ms (Link to these results)

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