A0A2K6UCY8_SAIBB Loading...

GTP cyclohydrolase 1 feedback regulatory protein

Mediates tetrahydrobiopterin inhibition of GTP cyclohydrolase 1. This inhibition is reversed by L-phenylalanine.

AlphaFold DB , UniProt , Accession A0A2K6UCY8, Species SAIBB (Saimiri boliviensis boliviensis, Bolivian squirrel monkey), Gene GCHFR, Length 84 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
1M86.5Confident96.8Very high126 Ų12681.8 Ų81.862%0.62139%0.394SS*.  0116.60-64.8167.7121.800108Q23 D25M1-Q23 HydrophobicContact CE-CB 4.13Å; M1-Q23 WeakPolarHBondContact CE-O 3.49Å; M1-Q23 VanDerWaalsContact SD-O 3.4Å; M1-D25 HydrophobicContact SD-CB 4.43Å
2P95.6Very high96.8Very high72 Ų7283.3 Ų83.347%0.46840%0.402SS..  trans-78.8-29.7-171.429-33.3000113.6H82 K83P2-H82 CarbonylContact O-C 3.57Å; P2-H82 VanDerWaalsContact O-CA 3.29Å; P2-H82 WeakPolarHBondContact O-CA 3.36Å; P2-K83 PolarHBondContact O-N 2.92Å
3Y98.4Very high96.9Very high141 Ų14185.9 Ų85.955%0.55341%0.414SS*.EExtended strand (participates in β ladder)trans-98.6149176.5-72.9-85.5000111.7L68 L81 H82Y3-L68 HydrophobicContact CD1-CD1 4.35Å; Y3-L68 HydrophobicContact CE1-CD1 3.64Å; Y3-L81 WeakPolarHBondContact CA-O 3.32Å; Y3-H82 HydrophobicContact CD1-CB 4.14Å; Y3-H82 AromaticContact CD1-CD2 3.9Å; Y3-H82 AromaticContact CD2-CD2 3.9Å; Y3-H82 HydrophobicContact CE1-CB 4.02Å; Y3-H82 AromaticContact CE1-CD2 3.59Å; Y3-H82 AromaticContact CE2-CD2 3.55Å; Y3-H82 AromaticContact CZ-CD2 3.38Å
4L98.5Very high97Very high14 Ų1486.2 Ų86.27%0.07342%0.423CS..EExtended strand (participates in β ladder)trans-140.4136.5174.5-17169.5000110.2I6 L28 L60 F65 L81L4-I6 HydrophobicContact CD2-CG2 3.9Å; L4-I6 HydrophobicContact CG-CG2 4.01Å; L4-L28 HydrophobicContact CD1-CD2 4.48Å; L4-L28 HydrophobicContact CD2-CD2 4.31Å; L4-L60 HydrophobicContact CD2-CD1 3.68Å; L4-L60 HydrophobicContact CD2-CD2 3.4Å; L4-L60 HydrophobicContact CD2-CG 4.19Å; L4-F65 HydrophobicContact CB-CD1 4.24Å; L4-F65 HydrophobicContact CB-CE1 3.94Å; L4-L81 HydrophobicContact CB-CB 4.4Å; L4-L81 PolarHBondContact N-O 2.78Å; L4-L81 PolarHBondContact O-N 3.21Å
5L98.8Very high97Very high114 Ų11481.6 Ų81.660%0.59741%0.406SS*.EExtended strand (participates in β ladder)trans-112.4125171.1-61177.5000108.3W79 C80L5-W79 WeakPolarHBondContact CA-O 3.4Å; L5-C80 HydrophobicContact CD2-CB 3.85Å
6I98.8Very high97.1Very high1 Ų179.6 Ų79.61%0.00540%0.401CS..EExtended strand (participates in β ladder)trans-122.4153.1171.872.4170.2000109.9L4 T17 M18 V19 V56 L57 L60 V78 W79 L81L4-I6 HydrophobicContact CD2-CG2 3.9Å; L4-I6 HydrophobicContact CG-CG2 4.01Å; I6-T17 HydrophobicContact CB-CG2 4.39Å; I6-T17 HydrophobicContact CD1-CG2 4.32Å; I6-M18 CarbonylContact C-O 3.6Å; I6-M18 WeakPolarHBondContact CA-O 3.35Å; I6-M18 VanDerWaalsContact CB-O 3.3Å; I6-M18 WeakPolarHBondContact CB-O 3.39Å; I6-V19 HydrophobicContact CG2-CB 4.37Å; I6-V19 HydrophobicContact CG2-CG1 4.32Å; I6-V56 HydrophobicContact CD1-CB 4.3Å; I6-V56 HydrophobicContact CD1-CG1 3.87Å; I6-L57 HydrophobicContact CD1-CD2 3.67Å; I6-L57 HydrophobicContact CD1-CG 4.09Å; I6-L60 HydrophobicContact CD1-CD1 4.06Å; I6-L60 HydrophobicContact CG2-CD1 4.05Å; I6-V78 WeakPolarHBondContact O-CA 3.15Å; I6-W79 HydrophobicContact CD1-CB 4.47Å; I6-W79 HydrophobicContact CG1-CB 3.85Å; I6-W79 HydrophobicContact CG1-CE3 4.14Å; I6-W79 HydrophobicContact CG1-CG 4.49Å; I6-W79 PolarHBondContact N-O 3.22Å; I6-W79 VanDerWaalsContact N-O 3.07Å; I6-W79 PolarHBondContact O-N 2.96Å; I6-L81 HydrophobicContact CD1-CD1 4.29Å; I6-L81 HydrophobicContact CG1-CD1 3.99Å; I6-L81 HydrophobicContact CG2-CD1 4.32Å
7S98.8Very high97.2Very high30 Ų3074.9 Ų74.921%0.2138%0.377CS..EExtended strand (participates in β ladder)trans-148.9158.8-179.167.30000113.8T17 M18 L77S7-T17 CarbonylContact O-C 3.56Å; S7-T17 WeakPolarHBondContact O-CA 3.43Å; S7-T17 WeakPolarHBondContact O-CG2 3.22Å; S7-M18 PolarHBondContact N-O 2.89Å; S7-M18 PolarHBondContact O-N 3.17Å; S7-L77 CarbonylContact C-O 3.55Å; S7-L77 WeakPolarHBondContact CA-O 3.31Å; S7-L77 WeakPolarHBondContact CB-O 3.48Å
8T98.6Very high97.3Very high2 Ų272.2 Ų72.21%0.01236%0.364CS..EExtended strand (participates in β ladder)trans-142.4160.1168.6-166.60000110P16 P53 T76 L77 W79T8-P16 PolarHBondContact OG1-O 3.39Å; T8-P53 HydrophobicContact CG2-CB 4.43Å; T8-P53 HydrophobicContact CG2-CG 3.77Å; T8-T76 CarbonylContact O-C 3.49Å; T8-T76 WeakPolarHBondContact O-CA 3.48Å; T8-L77 HydrophobicContact CG2-CB 4.5Å; T8-L77 PolarHBondContact N-O 2.85Å; T8-L77 PolarHBondContact O-N 2.99Å; T8-W79 HydrophobicContact CG2-CH2 4.09Å; T8-W79 HydrophobicContact CG2-CZ3 4.02Å
9Q98.1Very high97.4Very high124 Ų12468.4 Ų68.458%0.57935%0.345SS*.EExtended strand (participates in β ladder)trans-114.2145.3-176.2-63.3-176.7-36.800111.4R11 Q75 T76Q9-R11 VanDerWaalsContact C-N 3.29Å; Q9-R11 PolarHBondContact O-N 3.34Å; Q9-Q75 CarbonylContact C-O 3.57Å; Q9-Q75 WeakPolarHBondContact CA-O 3.4Å; Q9-T76 HydrophobicContact CG-CG2 4.37Å
10I95.3Very high97.4Very high131 Ų13165.8 Ų65.867%0.67234%0.335SS*.SBendtrans68.1-64.8169.9-44.9174.7000114.4Q75I10-Q75 PolarHBondContact N-O 2.84Å
11R96.9Very high97.5Very high145 Ų14566.7 Ų66.755%0.54734%0.341SS..  trans-129.1117.5-174.2-66.5-58-66.7-113.31.8110.6Q9 E13 V14Q9-R11 VanDerWaalsContact C-N 3.29Å; Q9-R11 PolarHBondContact O-N 3.34Å; R11-E13 WeakPolarHBondContact CB-OE2 3.29Å; R11-E13 IonicContact CZ-OE1 2.78Å; R11-E13 IonicContact CZ-OE2 2.79Å; R11-E13 IonicContact NE-OE1 3.89Å; R11-E13 PolarHBondContact NE-OE1 2.89Å; R11-E13 IonicContact NE-OE2 3.21Å; R11-E13 PolarHBondContact NE-OE2 2.69Å; R11-E13 VanDerWaalsContact NE-OE2 3.09Å; R11-E13 IonicContact NH2-OE1 2.76Å; R11-E13 PolarHBondContact NH2-OE1 2.65Å; R11-E13 IonicContact NH2-OE2 3.43Å; R11-E13 PolarHBondContact O-N 3.45Å; R11-V14 HydrophobicContact CB-CG1 4.12Å
12M97.3Very high98Very high100 Ų10065.8 Ų65.849%0.49334%0.335SS..THydrogen-bonded Turntrans-72.3-12.2-178.266.7175.8-77.500114V14 P53 L77M12-V14 VanDerWaalsContact C-N 3.29Å; M12-P53 HydrophobicContact CB-CG 4.24Å; M12-P53 VanDerWaalsContact O-CD 3.26Å; M12-P53 WeakPolarHBondContact O-CD 3.42Å; M12-P53 WeakPolarHBondContact O-CG 3.5Å; M12-L77 HydrophobicContact CB-CD1 3.95Å
13E98.3Very high98.1Very high117 Ų11770 Ų7055%0.54735%0.348SS..THydrogen-bonded Turntrans-80.8-12.2-176.8-51.795.9135.600112.8R11R11-E13 WeakPolarHBondContact CB-OE2 3.29Å; R11-E13 IonicContact CZ-OE1 2.78Å; R11-E13 IonicContact CZ-OE2 2.79Å; R11-E13 IonicContact NE-OE1 3.89Å; R11-E13 PolarHBondContact NE-OE1 2.89Å; R11-E13 IonicContact NE-OE2 3.21Å; R11-E13 PolarHBondContact NE-OE2 2.69Å; R11-E13 VanDerWaalsContact NE-OE2 3.09Å; R11-E13 IonicContact NH2-OE1 2.76Å; R11-E13 PolarHBondContact NH2-OE1 2.65Å; R11-E13 IonicContact NH2-OE2 3.43Å; R11-E13 PolarHBondContact O-N 3.45Å
14V98.2Very high98Very high90 Ų9063.6 Ų63.655%0.54533%0.325SS..SBendtrans-135.2156.6-178.366.80000110.5R11 M12R11-V14 HydrophobicContact CB-CG1 4.12Å; M12-V14 VanDerWaalsContact C-N 3.29Å
15G96.9Very high98Very high17 Ų1766 Ų6618%0.17534%0.337CS..  trans-77.6-176.7169.700000113.2N50G15-N50 WeakPolarHBondContact CA-O 3.09Å
16P98.4Very high98Very high49 Ų4964.8 Ų64.832%0.31834%0.337SS..  cis-76.1154.43.728.7-32.4000113.2T8 M18 Y48 V49T8-P16 PolarHBondContact OG1-O 3.39Å; P16-M18 HydrophobicContact CB-CE 4.1Å; P16-M18 HydrophobicContact CB-SD 4.3Å; P16-M18 HydrophobicContact CG-CE 4.02Å; P16-M18 VanDerWaalsContact O-CE 3.31Å; P16-M18 WeakPolarHBondContact O-CE 3.43Å; P16-Y48 HydrophobicContact CB-CD2 4.03Å; P16-V49 CarbonylContact C-O 3.55Å; P16-V49 WeakPolarHBondContact CA-O 3.38Å; P16-V49 WeakPolarHBondContact CB-O 3.19Å
17T98.9Very high97.9Very high0 Ų070.2 Ų70.20%036%0.362CS..EExtended strand (participates in β ladder)trans-109.8127.2167-55.70000108.7I6 S7 V19 Y48 V49 D51 P53 V56I6-T17 HydrophobicContact CB-CG2 4.39Å; I6-T17 HydrophobicContact CD1-CG2 4.32Å; S7-T17 CarbonylContact O-C 3.56Å; S7-T17 WeakPolarHBondContact O-CA 3.43Å; S7-T17 WeakPolarHBondContact O-CG2 3.22Å; T17-V19 HydrophobicContact CG2-CG1 4.03Å; T17-Y48 CarbonylContact O-C 3.54Å; T17-Y48 VanDerWaalsContact O-CA 3.3Å; T17-Y48 WeakPolarHBondContact O-CA 3.38Å; T17-V49 PolarHBondContact N-O 2.89Å; T17-V49 PolarHBondContact O-N 3.07Å; T17-D51 WeakPolarHBondContact CB-O 3.37Å; T17-D51 PolarHBondContact OG1-O 2.63Å; T17-P53 HydrophobicContact CG2-CB 4.32Å; T17-P53 WeakPolarHBondContact OG1-CA 3.24Å; T17-P53 WeakPolarHBondContact OG1-CD 3.45Å; T17-P53 VanDerWaalsContact OG1-N 3.1Å; T17-V56 HydrophobicContact CG2-CB 4.29Å; T17-V56 HydrophobicContact CG2-CG1 4.39Å; T17-V56 HydrophobicContact CG2-CG2 3.91Å
18M98.8Very high97.9Very high27 Ų2769.4 Ų69.413%0.13336%0.355CS..EExtended strand (participates in β ladder)trans-85.5126.2176.4-86.637.168.700106.9I6 S7 P16 Y47 Y48I6-M18 CarbonylContact C-O 3.6Å; I6-M18 WeakPolarHBondContact CA-O 3.35Å; I6-M18 VanDerWaalsContact CB-O 3.3Å; I6-M18 WeakPolarHBondContact CB-O 3.39Å; S7-M18 PolarHBondContact N-O 2.89Å; S7-M18 PolarHBondContact O-N 3.17Å; P16-M18 HydrophobicContact CB-CE 4.1Å; P16-M18 HydrophobicContact CB-SD 4.3Å; P16-M18 HydrophobicContact CG-CE 4.02Å; P16-M18 VanDerWaalsContact O-CE 3.31Å; P16-M18 WeakPolarHBondContact O-CE 3.43Å; M18-Y47 WeakPolarHBondContact CA-O 3.29Å; M18-Y48 VanDerWaalsContact SD-CB 3.54Å
19V98.8Very high97.9Very high0 Ų069.5 Ų69.50%036%0.355CS..EExtended strand (participates in β ladder)trans-124.7-3.5-166.5-63.30000114I6 T17 M29 L32 A34 Y47 V49 V56I6-V19 HydrophobicContact CG2-CB 4.37Å; I6-V19 HydrophobicContact CG2-CG1 4.32Å; T17-V19 HydrophobicContact CG2-CG1 4.03Å; V19-M29 HydrophobicContact CG2-SD 3.87Å; V19-M29 WeakPolarHBondContact O-CE 3.29Å; V19-L32 HydrophobicContact CB-CD1 3.92Å; V19-L32 HydrophobicContact CG1-CD1 4.3Å; V19-L32 HydrophobicContact CG2-CD1 4.14Å; V19-A34 HydrophobicContact CG2-CB 3.66Å; V19-Y47 PolarHBondContact N-O 3.38Å; V19-V49 HydrophobicContact CG1-CG2 3.99Å; V19-V49 HydrophobicContact CG2-CG1 4.39Å; V19-V56 HydrophobicContact CG1-CG1 3.66Å; V19-V56 HydrophobicContact CG1-CG2 4.43Å
20G98.4Very high97.9Very high15 Ų1571 Ų7116%0.15536%0.362CS..EExtended strand (participates in β ladder)trans-177.5165.4177.700000113.9S24 Y47G20-S24 VanDerWaalsContact CA-OG 3.24Å; G20-S24 WeakPolarHBondContact CA-OG 3.48Å; G20-Y47 PolarHBondContact O-N 3.14Å
21D98.3Very high98Very high86 Ų8668.8 Ų68.846%0.4635%0.349SS..EExtended strand (participates in β ladder)trans-102.2-174.7172.155.844.9000111.2Q23 S24 Y47D21-Q23 PolarHBondContact O-N 3.41Å; D21-Q23 WeakPolarHBondContact OD1-CA 3.48Å; D21-Q23 PolarHBondContact OD1-N 3.47Å; D21-S24 PolarHBondContact N-OG 3.06Å; D21-S24 VanDerWaalsContact O-CB 3.31Å; D21-S24 WeakPolarHBondContact O-CB 3.5Å; D21-S24 PolarHBondContact O-N 2.9Å; D21-S24 PolarHBondContact O-OG 3.29Å; D21-S24 PolarHBondContact OD1-N 3.13Å; D21-S24 PolarHBondContact OD1-OG 2.98Å; D21-Y47 WeakPolarHBondContact O-CD2 3.16Å; D21-Y47 WeakPolarHBondContact O-CE2 3.46Å
22E97.1Very high98.1Very high106 Ų10662 Ų6250%0.49532%0.324SS..THydrogen-bonded Turntrans-59.9-28-179.5-178.5160.4-129.100114.7K36 Y45E22-K36 IonicContact OE1-NZ 2.83Å; E22-Y45 PolarHBondContact N-O 3.39Å
23Q97.6Very high98.1Very high160 Ų16059.9 Ų59.975%0.74833%0.328SS*.THydrogen-bonded Turntrans-95.1-4.5-176.3-62-176.5-47.500112.7M1 D21M1-Q23 HydrophobicContact CE-CB 4.13Å; M1-Q23 WeakPolarHBondContact CE-O 3.49Å; M1-Q23 VanDerWaalsContact SD-O 3.4Å; D21-Q23 PolarHBondContact O-N 3.41Å; D21-Q23 WeakPolarHBondContact OD1-CA 3.48Å; D21-Q23 PolarHBondContact OD1-N 3.47Å
24S97.9Very high98.1Very high8 Ų855.2 Ų55.26%0.05631%0.309CS..SBendtrans-60.8144.4-178.2-66.70000112.2G20 D21 P26G20-S24 VanDerWaalsContact CA-OG 3.24Å; G20-S24 WeakPolarHBondContact CA-OG 3.48Å; D21-S24 PolarHBondContact N-OG 3.06Å; D21-S24 VanDerWaalsContact O-CB 3.31Å; D21-S24 WeakPolarHBondContact O-CB 3.5Å; D21-S24 PolarHBondContact O-N 2.9Å; D21-S24 PolarHBondContact O-OG 3.29Å; D21-S24 PolarHBondContact OD1-N 3.13Å; D21-S24 PolarHBondContact OD1-OG 2.98Å; S24-P26 WeakPolarHBondContact O-CD 3.36Å; S24-P26 VanDerWaalsContact O-N 3.1Å
25D98Very high98.2Very high63 Ų6353.9 Ų53.934%0.33730%0.304SS..  trans-52.8111.7-177.7-178.5-17.2000111.6M1 E27 L28 M29M1-D25 HydrophobicContact SD-CB 4.43Å; D25-E27 VanDerWaalsContact C-N 3.27Å; D25-E27 PolarHBondContact O-N 3.44Å; D25-E27 WeakPolarHBondContact OD1-CB 3.44Å; D25-E27 PolarHBondContact OD1-N 3.46Å; D25-L28 HydrophobicContact CB-CB 3.92Å; D25-L28 WeakPolarHBondContact O-CB 3.37Å; D25-L28 PolarHBondContact O-N 2.82Å; D25-L28 VanDerWaalsContact O-N 3.13Å; D25-L28 PolarHBondContact OD1-N 3.39Å; D25-M29 WeakPolarHBondContact O-CG 3.27Å; D25-M29 PolarHBondContact O-N 3.28Å
26P97.8Very high98.2Very high90 Ų9057.5 Ų57.558%0.58431%0.314SS*.Hα-helixtrans-60.7-32.8-176.1-25.135.1000113.8S24 M29 Q30S24-P26 WeakPolarHBondContact O-CD 3.36Å; S24-P26 VanDerWaalsContact O-N 3.1Å; P26-M29 PolarHBondContact O-N 2.88Å; P26-Q30 WeakPolarHBondContact O-CB 3.47Å; P26-Q30 PolarHBondContact O-N 3.33Å
27E97.8Very high98.2Very high115 Ų11559 Ų5954%0.53731%0.314SS..Hα-helixtrans-68.8-40178.5-166-152.2129.200110.4D25 H31 R63D25-E27 VanDerWaalsContact C-N 3.27Å; D25-E27 PolarHBondContact O-N 3.44Å; D25-E27 WeakPolarHBondContact OD1-CB 3.44Å; D25-E27 PolarHBondContact OD1-N 3.46Å; E27-H31 WeakPolarHBondContact O-CB 3.36Å; E27-H31 PolarHBondContact O-N 2.94Å; E27-R63 IonicContact OE1-CZ 3.22Å; E27-R63 IonicContact OE1-NH1 2.65Å; E27-R63 PolarHBondContact OE1-NH1 3.25Å; E27-R63 IonicContact OE1-NH2 2.89Å; E27-R63 PolarHBondContact OE1-NH2 3.46Å
28L98.1Very high98.1Very high13 Ų1361.6 Ų61.67%0.06833%0.332CS..Hα-helixtrans-65.3-45174.7-177.161.4000111.1L4 D25 Q30 H31 L32 L60 R63 F65L4-L28 HydrophobicContact CD1-CD2 4.48Å; L4-L28 HydrophobicContact CD2-CD2 4.31Å; D25-L28 HydrophobicContact CB-CB 3.92Å; D25-L28 WeakPolarHBondContact O-CB 3.37Å; D25-L28 PolarHBondContact O-N 2.82Å; D25-L28 VanDerWaalsContact O-N 3.13Å; D25-L28 PolarHBondContact OD1-N 3.39Å; L28-Q30 VanDerWaalsContact C-N 3.33Å; L28-Q30 PolarHBondContact O-N 2.81Å; L28-H31 WeakPolarHBondContact O-CB 3.48Å; L28-H31 PolarHBondContact O-N 2.86Å; L28-L32 HydrophobicContact CG-CD1 4.38Å; L28-L32 WeakPolarHBondContact O-CG 3.37Å; L28-L32 PolarHBondContact O-N 3.35Å; L28-L60 HydrophobicContact CD1-CD2 4.23Å; L28-R63 HydrophobicContact CD1-CB 4.39Å; L28-R63 HydrophobicContact CD1-CG 4.13Å; L28-F65 HydrophobicContact CD1-CE2 4.2Å; L28-F65 HydrophobicContact CD2-CE2 3.87Å; L28-F65 HydrophobicContact CD2-CZ 3.85Å
29M98.6Very high98Very high3 Ų363 Ų632%0.01534%0.342CS..Hα-helixtrans-61.3-42.5178.2-65.1-55.4102.300111.4V19 D25 P26 L32 G33 A34 Y47V19-M29 HydrophobicContact CG2-SD 3.87Å; V19-M29 WeakPolarHBondContact O-CE 3.29Å; D25-M29 WeakPolarHBondContact O-CG 3.27Å; D25-M29 PolarHBondContact O-N 3.28Å; P26-M29 PolarHBondContact O-N 2.88Å; M29-L32 HydrophobicContact CE-CD1 4.04Å; M29-L32 PolarHBondContact O-N 2.99Å; M29-G33 PolarHBondContact O-N 3.38Å; M29-A34 HydrophobicContact CB-CB 4.27Å; M29-A34 WeakPolarHBondContact O-CB 3.47Å; M29-A34 PolarHBondContact O-N 3.13Å; M29-A34 HydrophobicContact SD-CB 4.47Å; M29-Y47 HydrophobicContact CB-CD1 3.8Å; M29-Y47 HydrophobicContact CB-CE1 3.87Å; M29-Y47 HydrophobicContact CB-CG 4.16Å; M29-Y47 HydrophobicContact CG-CD1 3.8Å; M29-Y47 HydrophobicContact CG-CD2 3.72Å; M29-Y47 HydrophobicContact CG-CE1 3.98Å; M29-Y47 HydrophobicContact CG-CE2 3.89Å; M29-Y47 HydrophobicContact CG-CG 3.65Å; M29-Y47 VanDerWaalsContact SD-CB 3.51Å; M29-Y47 HydrophobicContact SD-CD1 4.22Å; M29-Y47 HydrophobicContact SD-CD2 3.86Å; M29-Y47 HydrophobicContact SD-CG 3.62Å
30Q98.2Very high98Very high155 Ų15571.7 Ų71.772%0.72439%0.387SS*.Hα-helixtrans-62.5-43.8174.7-174.1178.914.600111.7P26 L28 L32 G33P26-Q30 WeakPolarHBondContact O-CB 3.47Å; P26-Q30 PolarHBondContact O-N 3.33Å; L28-Q30 VanDerWaalsContact C-N 3.33Å; L28-Q30 PolarHBondContact O-N 2.81Å; Q30-L32 VanDerWaalsContact C-N 3.3Å; Q30-L32 PolarHBondContact O-N 2.9Å; Q30-G33 PolarHBondContact O-N 3.06Å
31H97.7Very high97.9Very high86 Ų8674.6 Ų74.640%0.39842%0.417SS..Hα-helixtrans-61.3-37.6177.7176.480.8000112.9E27 L28 G33 R63E27-H31 WeakPolarHBondContact O-CB 3.36Å; E27-H31 PolarHBondContact O-N 2.94Å; L28-H31 WeakPolarHBondContact O-CB 3.48Å; L28-H31 PolarHBondContact O-N 2.86Å; H31-G33 PolarHBondContact O-N 3.16Å; H31-R63 PolarHBondContact CD2-NE 2.78Å; H31-R63 VanDerWaalsContact CG-NE 3.31Å; H31-R63 PolarHBondContact ND1-NE 3.5Å
32L98.4Very high97.8Very high3 Ų373.4 Ų73.42%0.01641%0.411CS..Hα-helixtrans-70.2-16.7175.3-66.1174.8000112.6V19 L28 M29 Q30 V49 V56 K59 L60V19-L32 HydrophobicContact CB-CD1 3.92Å; V19-L32 HydrophobicContact CG1-CD1 4.3Å; V19-L32 HydrophobicContact CG2-CD1 4.14Å; L28-L32 HydrophobicContact CG-CD1 4.38Å; L28-L32 WeakPolarHBondContact O-CG 3.37Å; L28-L32 PolarHBondContact O-N 3.35Å; M29-L32 HydrophobicContact CE-CD1 4.04Å; M29-L32 PolarHBondContact O-N 2.99Å; Q30-L32 VanDerWaalsContact C-N 3.3Å; Q30-L32 PolarHBondContact O-N 2.9Å; L32-V49 HydrophobicContact CB-CG1 4.36Å; L32-V56 HydrophobicContact CD2-CG1 4.48Å; L32-K59 HydrophobicContact CD2-CB 3.76Å; L32-K59 HydrophobicContact CD2-CD 4.13Å; L32-K59 PolarHBondContact O-NZ 2.79Å; L32-L60 HydrophobicContact CD1-CD2 4.15Å; L32-L60 HydrophobicContact CD2-CD2 4.07Å; L32-L60 HydrophobicContact CD2-CG 4.2Å
33G98.4Very high97.8Very high55 Ų5575.9 Ų75.957%0.56743%0.428SS*.THydrogen-bonded Turntrans77.628.8-17200000112.3M29 Q30 H31M29-G33 PolarHBondContact O-N 3.38Å; Q30-G33 PolarHBondContact O-N 3.06Å; H31-G33 PolarHBondContact O-N 3.16Å
34A98.8Very high97.8Very high19 Ų1972.8 Ų72.816%0.15741%0.412CS..PPolyproline II helixtrans-77.3141-173.500000112.4V19 M29 Y47 Y48 V49V19-A34 HydrophobicContact CG2-CB 3.66Å; M29-A34 HydrophobicContact CB-CB 4.27Å; M29-A34 WeakPolarHBondContact O-CB 3.47Å; M29-A34 PolarHBondContact O-N 3.13Å; M29-A34 HydrophobicContact SD-CB 4.47Å; A34-Y47 HydrophobicContact CB-CD1 4.16Å; A34-Y48 CarbonylContact C-O 3.59Å; A34-Y48 VanDerWaalsContact CA-O 3.29Å; A34-Y48 WeakPolarHBondContact CA-O 3.34Å; A34-V49 HydrophobicContact CB-CG1 3.85Å
35S98.6Very high97.8Very high62 Ų6277.7 Ų77.743%0.43443%0.43SS..EExtended strand (participates in β ladder)trans-98.4140.1169.5-65.60000109.9Y47 Y48S35-Y47 WeakPolarHBondContact O-CA 3.3Å; S35-Y48 PolarHBondContact N-O 3.43Å; S35-Y48 WeakPolarHBondContact O-CD1 3.48Å; S35-Y48 PolarHBondContact O-N 2.83Å
36K98.3Very high97.8Very high92 Ų9276.1 Ų76.140%0.442%0.42SS..EExtended strand (participates in β ladder)trans-90.3130.5173.6-161.3178.6-177.7175.70109.4E22 Y45 E46 Y47E22-K36 IonicContact OE1-NZ 2.83Å; K36-Y45 HydrophobicContact CD-CD1 4.31Å; K36-Y45 HydrophobicContact CD-CG 4.42Å; K36-Y45 HydrophobicContact CG-CD1 4.04Å; K36-Y45 HydrophobicContact CG-CG 4.37Å; K36-E46 WeakPolarHBondContact CA-O 3.41Å; K36-Y47 HydrophobicContact CB-CD1 3.92Å; K36-Y47 HydrophobicContact CB-CE1 3.63Å; K36-Y47 HydrophobicContact CD-CE1 4.09Å; K36-Y47 HydrophobicContact CD-CE2 4.29Å; K36-Y47 HydrophobicContact CG-CD1 4.26Å; K36-Y47 HydrophobicContact CG-CE1 3.9Å; K36-Y47 HydrophobicContact CG-CE2 4.34Å
37R98.1Very high97.9Very high82 Ų8273.2 Ų73.231%0.30940%0.398SS..EExtended strand (participates in β ladder)trans-141162173.369.7176.5179.6-161.91.3111.5V39 Y45 E46 Y48R37-V39 HydrophobicContact CG-CG2 4.31Å; R37-Y45 CarbonylContact O-C 3.59Å; R37-Y45 VanDerWaalsContact O-CA 3.32Å; R37-Y45 WeakPolarHBondContact O-CA 3.41Å; R37-E46 HydrophobicContact CG-CG 3.87Å; R37-E46 IonicContact CZ-OE1 2.69Å; R37-E46 PolarHBondContact N-O 3.49Å; R37-E46 IonicContact NE-OE1 3.62Å; R37-E46 PolarHBondContact NE-OE1 3.46Å; R37-E46 IonicContact NH2-OE1 3.87Å; R37-E46 PolarHBondContact NH2-OE1 3.49Å; R37-E46 PolarHBondContact O-N 2.91Å; R37-Y48 HydrophobicContact CB-CD1 4.46Å; R37-Y48 HydrophobicContact CB-CE1 3.99Å; R37-Y48 VanDerWaalsContact CD-CE1 3.42Å; R37-Y48 HydrophobicContact CG-CD1 3.72Å; R37-Y48 HydrophobicContact CG-CE1 3.65Å
38S97.6Very high97.9Very high53 Ų5370 Ų7037%0.37138%0.381SS..  trans-115.7122.3161.1-172.80000107.4F44S38-F44 PolarHBondContact OG-O 2.84Å
39V96.4Very high98Very high57 Ų5769.8 Ų69.835%0.34538%0.381SS..  trans-81.5140.2178179.10000108.3R37 G41 N42 E46R37-V39 HydrophobicContact CG-CG2 4.31Å; V39-G41 PolarHBondContact O-N 3.12Å; V39-N42 WeakPolarHBondContact O-CB 3.26Å; V39-N42 PolarHBondContact O-N 3.42Å; V39-E46 WeakPolarHBondContact CG2-OE1 3.48Å
40L97.4Very high98Very high182 Ų18275.8 Ų75.895%0.95341%0.413SS*.THydrogen-bonded Turntrans-50.7125.4177.8-178.968.5000110.7
41G97.6Very high98Very high76 Ų7670.9 Ų70.978%0.78439%0.391SS*.THydrogen-bonded Turntrans99.9-17.5-177.100000114.2V39V39-G41 PolarHBondContact O-N 3.12Å
42N96.6Very high98Very high61 Ų6168.3 Ų68.333%0.32638%0.382SS..  trans-87144.5173.1-65.7-11.3000110.6V39 F44V39-N42 WeakPolarHBondContact O-CB 3.26Å; V39-N42 PolarHBondContact O-N 3.42Å; N42-F44 HydrophobicContact CB-CD1 4.11Å; N42-F44 HydrophobicContact CB-CD2 4.42Å; N42-F44 HydrophobicContact CB-CE1 3.89Å; N42-F44 HydrophobicContact CB-CE2 4.23Å; N42-F44 HydrophobicContact CB-CG 4.36Å; N42-F44 HydrophobicContact CB-CZ 3.95Å; N42-F44 VanDerWaalsContact CG-CZ 3.48Å; N42-F44 WeakPolarHBondContact ND2-CZ 3.4Å
43N97.2Very high98Very high159 Ų15968.1 Ų68.185%0.8538%0.381SS*.SBendtrans-99.413.1169.965.7-19.1000112.4
44F96.8Very high98.1Very high95 Ų9572.1 Ų72.142%0.41738%0.379SS..SBendtrans-131.2166.6-17958.3-95.4000110.7S38 N42S38-F44 PolarHBondContact OG-O 2.84Å; N42-F44 HydrophobicContact CB-CD1 4.11Å; N42-F44 HydrophobicContact CB-CD2 4.42Å; N42-F44 HydrophobicContact CB-CE1 3.89Å; N42-F44 HydrophobicContact CB-CE2 4.23Å; N42-F44 HydrophobicContact CB-CG 4.36Å; N42-F44 HydrophobicContact CB-CZ 3.95Å; N42-F44 VanDerWaalsContact CG-CZ 3.48Å; N42-F44 WeakPolarHBondContact ND2-CZ 3.4Å
45Y98Very high98.1Very high110 Ų11073.5 Ų73.543%0.43138%0.383SS..  trans-102.5147.7171.6-72.2-93.8000111.1E22 K36 R37E22-Y45 PolarHBondContact N-O 3.39Å; K36-Y45 HydrophobicContact CD-CD1 4.31Å; K36-Y45 HydrophobicContact CD-CG 4.42Å; K36-Y45 HydrophobicContact CG-CD1 4.04Å; K36-Y45 HydrophobicContact CG-CG 4.37Å; R37-Y45 CarbonylContact O-C 3.59Å; R37-Y45 VanDerWaalsContact O-CA 3.32Å; R37-Y45 WeakPolarHBondContact O-CA 3.41Å
46E98.3Very high98.1Very high30 Ų3070.6 Ų70.614%0.1436%0.363CS..EExtended strand (participates in β ladder)trans-125.6148.817463-176.5-150.600110.3K36 R37 V39K36-E46 WeakPolarHBondContact CA-O 3.41Å; R37-E46 HydrophobicContact CG-CG 3.87Å; R37-E46 IonicContact CZ-OE1 2.69Å; R37-E46 PolarHBondContact N-O 3.49Å; R37-E46 IonicContact NE-OE1 3.62Å; R37-E46 PolarHBondContact NE-OE1 3.46Å; R37-E46 IonicContact NH2-OE1 3.87Å; R37-E46 PolarHBondContact NH2-OE1 3.49Å; R37-E46 PolarHBondContact O-N 2.91Å; V39-E46 WeakPolarHBondContact CG2-OE1 3.48Å
47Y98.8Very high98.1Very high30 Ų3067.9 Ų67.912%0.11835%0.353CS..EExtended strand (participates in β ladder)trans-97.5133.9166.9-71.6-84.3000109.7M18 V19 G20 D21 M29 A34 S35 K36M18-Y47 WeakPolarHBondContact CA-O 3.29Å; V19-Y47 PolarHBondContact N-O 3.38Å; G20-Y47 PolarHBondContact O-N 3.14Å; D21-Y47 WeakPolarHBondContact O-CD2 3.16Å; D21-Y47 WeakPolarHBondContact O-CE2 3.46Å; M29-Y47 HydrophobicContact CB-CD1 3.8Å; M29-Y47 HydrophobicContact CB-CE1 3.87Å; M29-Y47 HydrophobicContact CB-CG 4.16Å; M29-Y47 HydrophobicContact CG-CD1 3.8Å; M29-Y47 HydrophobicContact CG-CD2 3.72Å; M29-Y47 HydrophobicContact CG-CE1 3.98Å; M29-Y47 HydrophobicContact CG-CE2 3.89Å; M29-Y47 HydrophobicContact CG-CG 3.65Å; M29-Y47 VanDerWaalsContact SD-CB 3.51Å; M29-Y47 HydrophobicContact SD-CD1 4.22Å; M29-Y47 HydrophobicContact SD-CD2 3.86Å; M29-Y47 HydrophobicContact SD-CG 3.62Å; A34-Y47 HydrophobicContact CB-CD1 4.16Å; S35-Y47 WeakPolarHBondContact O-CA 3.3Å; K36-Y47 HydrophobicContact CB-CD1 3.92Å; K36-Y47 HydrophobicContact CB-CE1 3.63Å; K36-Y47 HydrophobicContact CD-CE1 4.09Å; K36-Y47 HydrophobicContact CD-CE2 4.29Å; K36-Y47 HydrophobicContact CG-CD1 4.26Å; K36-Y47 HydrophobicContact CG-CE1 3.9Å; K36-Y47 HydrophobicContact CG-CE2 4.34Å
48Y98.8Very high98.1Very high48 Ų4866.6 Ų66.619%0.18835%0.352CS..EExtended strand (participates in β ladder)trans-139.2155.3178.576.4-76.3000111.8P16 T17 M18 A34 S35 R37P16-Y48 HydrophobicContact CB-CD2 4.03Å; T17-Y48 CarbonylContact O-C 3.54Å; T17-Y48 VanDerWaalsContact O-CA 3.3Å; T17-Y48 WeakPolarHBondContact O-CA 3.38Å; M18-Y48 VanDerWaalsContact SD-CB 3.54Å; A34-Y48 CarbonylContact C-O 3.59Å; A34-Y48 VanDerWaalsContact CA-O 3.29Å; A34-Y48 WeakPolarHBondContact CA-O 3.34Å; S35-Y48 PolarHBondContact N-O 3.43Å; S35-Y48 WeakPolarHBondContact O-CD1 3.48Å; S35-Y48 PolarHBondContact O-N 2.83Å; R37-Y48 HydrophobicContact CB-CD1 4.46Å; R37-Y48 HydrophobicContact CB-CE1 3.99Å; R37-Y48 VanDerWaalsContact CD-CE1 3.42Å; R37-Y48 HydrophobicContact CG-CD1 3.72Å; R37-Y48 HydrophobicContact CG-CE1 3.65Å
49V98.8Very high98.2Very high8 Ų866.5 Ų66.55%0.04835%0.345CS..EExtended strand (participates in β ladder)trans-125.6153.3170-64.60000109.6P16 T17 V19 L32 A34 D51 V56P16-V49 CarbonylContact C-O 3.55Å; P16-V49 WeakPolarHBondContact CA-O 3.38Å; P16-V49 WeakPolarHBondContact CB-O 3.19Å; T17-V49 PolarHBondContact N-O 2.89Å; T17-V49 PolarHBondContact O-N 3.07Å; V19-V49 HydrophobicContact CG1-CG2 3.99Å; V19-V49 HydrophobicContact CG2-CG1 4.39Å; L32-V49 HydrophobicContact CB-CG1 4.36Å; A34-V49 HydrophobicContact CB-CG1 3.85Å; V49-D51 HydrophobicContact CB-CB 4.5Å; V49-D51 HydrophobicContact CG2-CB 4.05Å; V49-D51 PolarHBondContact O-N 2.94Å; V49-V56 HydrophobicContact CG2-CG2 3.48Å; V49-V56 VanDerWaalsContact CG2-CG2 3.48Å
50N98.6Very high98.3Very high129 Ų12963.8 Ų63.869%0.6933%0.328SS*.SBendtrans-79.9-7.6175.9-66.4-34.2000113.1G15G15-N50 WeakPolarHBondContact CA-O 3.09Å
51D98.7Very high98.3Very high51 Ų5161.7 Ų61.727%0.27331%0.314SS..SBendtrans-67.3146.6176.8-64.4-44.9000111.5T17 V49 I55 V56 K59T17-D51 WeakPolarHBondContact CB-O 3.37Å; T17-D51 PolarHBondContact OG1-O 2.63Å; V49-D51 HydrophobicContact CB-CB 4.5Å; V49-D51 HydrophobicContact CG2-CB 4.05Å; V49-D51 PolarHBondContact O-N 2.94Å; D51-I55 HydrophobicContact CB-CB 4.03Å; D51-I55 HydrophobicContact CB-CG2 3.82Å; D51-V56 HydrophobicContact CB-CG2 4.07Å; D51-K59 IonicContact OD2-NZ 3.83Å; D51-K59 PolarHBondContact OD2-NZ 3.43Å
52P98.8Very high98.3Very high32 Ų3267.9 Ų67.921%0.20831%0.314CS..  trans-67155.116829.6-34.5000110.9R54 I55 V56P52-R54 PolarHBondContact O-N 3.17Å; P52-I55 HydrophobicContact CG-CB 4.4Å; P52-I55 HydrophobicContact CG-CG1 3.9Å; P52-I55 PolarHBondContact O-N 3.27Å; P52-V56 PolarHBondContact O-N 2.99Å
53P98.7Very high98.3Very high0 Ų068.5 Ų68.50%031%0.311CS..Hα-helixtrans-55.3-33.1-175.322.7-37.8000113.1T8 M12 T17 I55 V56 L57 W79T8-P53 HydrophobicContact CG2-CB 4.43Å; T8-P53 HydrophobicContact CG2-CG 3.77Å; M12-P53 HydrophobicContact CB-CG 4.24Å; M12-P53 VanDerWaalsContact O-CD 3.26Å; M12-P53 WeakPolarHBondContact O-CD 3.42Å; M12-P53 WeakPolarHBondContact O-CG 3.5Å; T17-P53 HydrophobicContact CG2-CB 4.32Å; T17-P53 WeakPolarHBondContact OG1-CA 3.24Å; T17-P53 WeakPolarHBondContact OG1-CD 3.45Å; T17-P53 VanDerWaalsContact OG1-N 3.1Å; P53-I55 VanDerWaalsContact C-N 3.35Å; P53-I55 PolarHBondContact O-N 3.35Å; P53-V56 WeakPolarHBondContact O-CB 3.05Å; P53-V56 PolarHBondContact O-N 3.4Å; P53-V56 VanDerWaalsContact O-N 3.14Å; P53-L57 VanDerWaalsContact O-CG 3.27Å; P53-L57 WeakPolarHBondContact O-CG 3.36Å; P53-L57 PolarHBondContact O-N 3.35Å; P53-W79 HydrophobicContact CB-CE3 4.28Å; P53-W79 HydrophobicContact CB-CH2 3.65Å; P53-W79 HydrophobicContact CB-CZ2 4.24Å; P53-W79 HydrophobicContact CB-CZ3 3.68Å; P53-W79 HydrophobicContact CG-CH2 3.71Å; P53-W79 HydrophobicContact CG-CZ2 4.39Å; P53-W79 HydrophobicContact CG-CZ3 4.13Å
54R98.8Very high98.3Very high138 Ų13862.7 Ų62.752%0.52129%0.289SS..Hα-helixtrans-56.5-45.8176.3-166.5-163.364.566.70.1112.5P52 V56 L57 D58P52-R54 PolarHBondContact O-N 3.17Å; R54-V56 VanDerWaalsContact C-N 3.31Å; R54-V56 PolarHBondContact O-N 2.72Å; R54-L57 PolarHBondContact O-N 3.2Å; R54-D58 IonicContact CZ-OD2 3.09Å; R54-D58 IonicContact NH1-OD1 3.9Å; R54-D58 IonicContact NH1-OD2 3.53Å; R54-D58 PolarHBondContact NH1-OD2 2.98Å; R54-D58 VanDerWaalsContact O-CG 3.28Å; R54-D58 PolarHBondContact O-N 3.44Å; R54-D58 VanDerWaalsContact O-N 3.12Å
55I98.8Very high98.4Very high48 Ų4858.8 Ų58.825%0.24627%0.272CS..Hα-helixtrans-67-36.7178.6-67.9-71.5000110.7D51 P52 P53 D58 K59D51-I55 HydrophobicContact CB-CB 4.03Å; D51-I55 HydrophobicContact CB-CG2 3.82Å; P52-I55 HydrophobicContact CG-CB 4.4Å; P52-I55 HydrophobicContact CG-CG1 3.9Å; P52-I55 PolarHBondContact O-N 3.27Å; P53-I55 VanDerWaalsContact C-N 3.35Å; P53-I55 PolarHBondContact O-N 3.35Å; I55-D58 PolarHBondContact O-N 3.46Å; I55-K59 WeakPolarHBondContact O-CG 3.33Å; I55-K59 PolarHBondContact O-N 3.26Å; I55-K59 VanDerWaalsContact O-N 3.13Å
56V98.8Very high98.4Very high1 Ų159.1 Ų59.11%0.00627%0.272CS..Hα-helixtrans-66.3-44.5177.2-177.70000111.1I6 T17 V19 L32 V49 D51 P52 P53 R54 D58 K59 L60I6-V56 HydrophobicContact CD1-CB 4.3Å; I6-V56 HydrophobicContact CD1-CG1 3.87Å; T17-V56 HydrophobicContact CG2-CB 4.29Å; T17-V56 HydrophobicContact CG2-CG1 4.39Å; T17-V56 HydrophobicContact CG2-CG2 3.91Å; V19-V56 HydrophobicContact CG1-CG1 3.66Å; V19-V56 HydrophobicContact CG1-CG2 4.43Å; L32-V56 HydrophobicContact CD2-CG1 4.48Å; V49-V56 HydrophobicContact CG2-CG2 3.48Å; V49-V56 VanDerWaalsContact CG2-CG2 3.48Å; D51-V56 HydrophobicContact CB-CG2 4.07Å; P52-V56 PolarHBondContact O-N 2.99Å; P53-V56 WeakPolarHBondContact O-CB 3.05Å; P53-V56 PolarHBondContact O-N 3.4Å; P53-V56 VanDerWaalsContact O-N 3.14Å; R54-V56 VanDerWaalsContact C-N 3.31Å; R54-V56 PolarHBondContact O-N 2.72Å; V56-D58 VanDerWaalsContact C-N 3.34Å; V56-D58 PolarHBondContact O-N 3.13Å; V56-K59 WeakPolarHBondContact O-CB 3.44Å; V56-K59 PolarHBondContact O-N 3.09Å; V56-K59 VanDerWaalsContact O-N 3.16Å; V56-L60 HydrophobicContact CG1-CD1 3.85Å; V56-L60 HydrophobicContact CG1-CG 4.31Å; V56-L60 WeakPolarHBondContact O-CB 3.19Å; V56-L60 VanDerWaalsContact O-CG 3.29Å; V56-L60 WeakPolarHBondContact O-CG 3.29Å; V56-L60 PolarHBondContact O-N 2.99Å
57L98.8Very high98.4Very high35 Ų3560.4 Ų60.418%0.18328%0.282CS..Hα-helixtrans-59.2-44.1176.2-68.9173.6000111.3I6 P53 R54 K59 L60 E61 V67 W79 L81I6-L57 HydrophobicContact CD1-CD2 3.67Å; I6-L57 HydrophobicContact CD1-CG 4.09Å; P53-L57 VanDerWaalsContact O-CG 3.27Å; P53-L57 WeakPolarHBondContact O-CG 3.36Å; P53-L57 PolarHBondContact O-N 3.35Å; R54-L57 PolarHBondContact O-N 3.2Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 2.95Å; L57-L60 PolarHBondContact O-N 3.43Å; L57-E61 PolarHBondContact O-N 2.97Å; L57-V67 HydrophobicContact CD2-CG2 3.75Å; L57-W79 HydrophobicContact CD1-CG 4.42Å; L57-W79 HydrophobicContact CD2-CB 4.38Å; L57-W79 HydrophobicContact CD2-CG 4.3Å; L57-L81 HydrophobicContact CD2-CD1 4.24Å; L57-L81 HydrophobicContact CD2-CD2 3.79Å; L57-L81 HydrophobicContact CD2-CG 4.37Å
58D98.8Very high98.4Very high55 Ų5562.4 Ų62.429%0.29429%0.294SS..Hα-helixtrans-60.2-39.7175.3-63.2-10.2000112.1R54 I55 V56 R62R54-D58 IonicContact CZ-OD2 3.09Å; R54-D58 IonicContact NH1-OD1 3.9Å; R54-D58 IonicContact NH1-OD2 3.53Å; R54-D58 PolarHBondContact NH1-OD2 2.98Å; R54-D58 VanDerWaalsContact O-CG 3.28Å; R54-D58 PolarHBondContact O-N 3.44Å; R54-D58 VanDerWaalsContact O-N 3.12Å; I55-D58 PolarHBondContact O-N 3.46Å; V56-D58 VanDerWaalsContact C-N 3.34Å; V56-D58 PolarHBondContact O-N 3.13Å; D58-R62 PolarHBondContact O-N 2.92Å
59K98.5Very high98.4Very high51 Ų5163.4 Ų63.422%0.22231%0.308CS..Hα-helixtrans-67-40.6175.9-69.9175.8-176176.20111.4L32 D51 I55 V56 L57 R62 R63L32-K59 HydrophobicContact CD2-CB 3.76Å; L32-K59 HydrophobicContact CD2-CD 4.13Å; L32-K59 PolarHBondContact O-NZ 2.79Å; D51-K59 IonicContact OD2-NZ 3.83Å; D51-K59 PolarHBondContact OD2-NZ 3.43Å; I55-K59 WeakPolarHBondContact O-CG 3.33Å; I55-K59 PolarHBondContact O-N 3.26Å; I55-K59 VanDerWaalsContact O-N 3.13Å; V56-K59 WeakPolarHBondContact O-CB 3.44Å; V56-K59 PolarHBondContact O-N 3.09Å; V56-K59 VanDerWaalsContact O-N 3.16Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 2.95Å; K59-R62 PolarHBondContact O-N 3.31Å; K59-R63 PolarHBondContact O-N 2.97Å
60L98.4Very high98.4Very high0 Ų068.4 Ų68.40%033%0.332CS..Hα-helixtrans-68.4-36.9-180-72.9171.1000112.1L4 I6 L28 L32 V56 L57 R62 R63 G64 F65 L81L4-L60 HydrophobicContact CD2-CD1 3.68Å; L4-L60 HydrophobicContact CD2-CD2 3.4Å; L4-L60 HydrophobicContact CD2-CG 4.19Å; I6-L60 HydrophobicContact CD1-CD1 4.06Å; I6-L60 HydrophobicContact CG2-CD1 4.05Å; L28-L60 HydrophobicContact CD1-CD2 4.23Å; L32-L60 HydrophobicContact CD1-CD2 4.15Å; L32-L60 HydrophobicContact CD2-CD2 4.07Å; L32-L60 HydrophobicContact CD2-CG 4.2Å; V56-L60 HydrophobicContact CG1-CD1 3.85Å; V56-L60 HydrophobicContact CG1-CG 4.31Å; V56-L60 WeakPolarHBondContact O-CB 3.19Å; V56-L60 VanDerWaalsContact O-CG 3.29Å; V56-L60 WeakPolarHBondContact O-CG 3.29Å; V56-L60 PolarHBondContact O-N 2.99Å; L57-L60 PolarHBondContact O-N 3.43Å; L60-R62 VanDerWaalsContact C-N 3.32Å; L60-R62 PolarHBondContact O-N 2.87Å; L60-R63 CarbonylContact O-C 3.5Å; L60-R63 WeakPolarHBondContact O-CA 3.36Å; L60-R63 WeakPolarHBondContact O-CB 3.31Å; L60-R63 PolarHBondContact O-N 3.28Å; L60-G64 PolarHBondContact O-N 2.93Å; L60-F65 HydrophobicContact CB-CB 4.1Å; L60-F65 HydrophobicContact CB-CD2 4.46Å; L60-F65 HydrophobicContact CD2-CD2 4.01Å; L60-F65 HydrophobicContact CD2-CE2 4.34Å; L60-F65 HydrophobicContact CD2-CG 4.49Å; L60-F65 WeakPolarHBondContact O-CB 3.47Å; L60-F65 PolarHBondContact O-N 2.86Å; L60-L81 HydrophobicContact CB-CD2 4.07Å; L60-L81 HydrophobicContact CD1-CD1 4.2Å; L60-L81 HydrophobicContact CD1-CD2 3.85Å
61E98.2Very high98.4Very high139 Ų13966.3 Ų66.365%0.6532%0.324SS*.Hα-helixtrans-56.6-45.1173.2-177.1179.5-140.600111.3L57 R63 G64 F65L57-E61 PolarHBondContact O-N 2.97Å; E61-R63 PolarHBondContact O-N 3.02Å; E61-R63 VanDerWaalsContact O-N 3.13Å; E61-G64 PolarHBondContact O-N 2.88Å; E61-F65 WeakPolarHBondContact CA-O 3.3Å
62R97.1Very high98.4Very high205 Ų20566.2 Ų66.277%0.77434%0.336SS*.THydrogen-bonded Turntrans-63.7-19.1175.9-63.6175.9-167.4171.73.7113.7D58 K59 L60D58-R62 PolarHBondContact O-N 2.92Å; K59-R62 PolarHBondContact O-N 3.31Å; L60-R62 VanDerWaalsContact C-N 3.32Å; L60-R62 PolarHBondContact O-N 2.87Å
63R96.6Very high98.3Very high75 Ų7569.2 Ų69.228%0.28335%0.353SS..THydrogen-bonded Turntrans-94.15.7174.1-70.1-61.7-139.7150.712.8113E27 L28 H31 K59 L60 E61 F65 K83E27-R63 IonicContact OE1-CZ 3.22Å; E27-R63 IonicContact OE1-NH1 2.65Å; E27-R63 PolarHBondContact OE1-NH1 3.25Å; E27-R63 IonicContact OE1-NH2 2.89Å; E27-R63 PolarHBondContact OE1-NH2 3.46Å; L28-R63 HydrophobicContact CD1-CB 4.39Å; L28-R63 HydrophobicContact CD1-CG 4.13Å; H31-R63 PolarHBondContact CD2-NE 2.78Å; H31-R63 VanDerWaalsContact CG-NE 3.31Å; H31-R63 PolarHBondContact ND1-NE 3.5Å; K59-R63 PolarHBondContact O-N 2.97Å; L60-R63 CarbonylContact O-C 3.5Å; L60-R63 WeakPolarHBondContact O-CA 3.36Å; L60-R63 WeakPolarHBondContact O-CB 3.31Å; L60-R63 PolarHBondContact O-N 3.28Å; E61-R63 PolarHBondContact O-N 3.02Å; E61-R63 VanDerWaalsContact O-N 3.13Å; R63-F65 HydrophobicContact CB-CD2 4.02Å; R63-F65 HydrophobicContact CB-CE2 4.24Å; R63-K83 VanDerWaalsContact O-CE 3.29Å; R63-K83 WeakPolarHBondContact O-CE 3.37Å; R63-K83 PolarHBondContact O-NZ 2.83Å
64G97.5Very high98.3Very high36 Ų3672.9 Ų72.937%0.37139%0.391SS..THydrogen-bonded Turntrans87.114.7176.100000114.5L60 E61 K83 E84L60-G64 PolarHBondContact O-N 2.93Å; E61-G64 PolarHBondContact O-N 2.88Å; G64-K83 WeakPolarHBondContact O-CA 3.38Å; G64-E84 PolarHBondContact O-N 2.88Å
65F98.4Very high98.2Very high14 Ų1473.2 Ų73.26%0.06140%0.399CS..EExtended strand (participates in β ladder)trans-87.4135.2175.4-71.1-90.4000111L4 L28 L60 E61 R63 L81 H82 K83L4-F65 HydrophobicContact CB-CD1 4.24Å; L4-F65 HydrophobicContact CB-CE1 3.94Å; L28-F65 HydrophobicContact CD1-CE2 4.2Å; L28-F65 HydrophobicContact CD2-CE2 3.87Å; L28-F65 HydrophobicContact CD2-CZ 3.85Å; L60-F65 HydrophobicContact CB-CB 4.1Å; L60-F65 HydrophobicContact CB-CD2 4.46Å; L60-F65 HydrophobicContact CD2-CD2 4.01Å; L60-F65 HydrophobicContact CD2-CE2 4.34Å; L60-F65 HydrophobicContact CD2-CG 4.49Å; L60-F65 WeakPolarHBondContact O-CB 3.47Å; L60-F65 PolarHBondContact O-N 2.86Å; E61-F65 WeakPolarHBondContact CA-O 3.3Å; R63-F65 HydrophobicContact CB-CD2 4.02Å; R63-F65 HydrophobicContact CB-CE2 4.24Å; F65-L81 HydrophobicContact CB-CB 4.18Å; F65-L81 HydrophobicContact CB-CD2 3.96Å; F65-L81 HydrophobicContact CD1-CB 4.18Å; F65-H82 CarbonylContact C-O 3.5Å; F65-H82 WeakPolarHBondContact CA-O 3.38Å; F65-K83 HydrophobicContact CD1-CB 3.96Å; F65-K83 HydrophobicContact CE1-CB 3.82Å; F65-K83 HydrophobicContact CE2-CD 4.32Å; F65-K83 HydrophobicContact CG-CB 4.46Å; F65-K83 HydrophobicContact CZ-CB 4.21Å; F65-K83 HydrophobicContact CZ-CD 4.24Å
66R98.4Very high98.2Very high116 Ų11672.3 Ų72.344%0.43840%0.395SS..EExtended strand (participates in β ladder)trans-111139.4169.3-172.5176.160.176.8-1.7110.5L68 L81 H82 E84R66-L68 VanDerWaalsContact NH2-CD2 3.31Å; R66-L68 PolarHBondContact O-N 2.89Å; R66-L81 CarbonylContact O-C 3.57Å; R66-L81 VanDerWaalsContact O-CA 3.22Å; R66-L81 WeakPolarHBondContact O-CA 3.38Å; R66-H82 PolarHBondContact N-O 2.85Å; R66-H82 PolarHBondContact O-N 2.76Å; R66-E84 HydrophobicContact CB-CG 4.35Å; R66-E84 IonicContact CZ-OE1 2.63Å; R66-E84 VanDerWaalsContact CZ-OE1 3.22Å; R66-E84 IonicContact NE-OE1 3.82Å; R66-E84 PolarHBondContact NE-OE1 2.92Å; R66-E84 IonicContact NE-OE2 3.43Å; R66-E84 IonicContact NH2-OE1 3.92Å; R66-E84 PolarHBondContact NH2-OE1 2.99Å
67V98.6Very high98.2Very high58 Ų5874.8 Ų74.835%0.35241%0.409SS..EExtended strand (participates in β ladder)trans-65.7123169.6-179.80000109.4L57 L81L57-V67 HydrophobicContact CD2-CG2 3.75Å; V67-L81 HydrophobicContact CG2-CD2 4.01Å; V67-L81 HydrophobicContact CG2-CG 4.17Å
68L98.5Very high98.2Very high72 Ų7274.7 Ų74.738%0.37741%0.409SS..EExtended strand (participates in β ladder)trans-91.5-40.4172.2-66.1-170.9000111.8Y3 R66 C80 H82Y3-L68 HydrophobicContact CD1-CD1 4.35Å; Y3-L68 HydrophobicContact CE1-CD1 3.64Å; R66-L68 VanDerWaalsContact NH2-CD2 3.31Å; R66-L68 PolarHBondContact O-N 2.89Å; L68-C80 PolarHBondContact N-O 3.43Å; L68-H82 HydrophobicContact CD1-CB 3.5Å; L68-H82 HydrophobicContact CD2-CB 4.1Å; L68-H82 HydrophobicContact CG-CB 3.72Å
69S98.6Very high98.2Very high68 Ų6872.7 Ų72.748%0.47640%0.398SS..EExtended strand (participates in β ladder)trans-157.4157.4-176.6-172.50000111.4C80S69-C80 PolarHBondContact N-O 2.93Å; S69-C80 PolarHBondContact O-N 2.88Å
70M98.6Very high98.2Very high113 Ų11372 Ų7256%0.55740%0.398SS*.EExtended strand (participates in β ladder)trans-134137172.7-178.9-167.27500108.7V78 W79M70-V78 WeakPolarHBondContact CA-O 3.19Å; M70-W79 HydrophobicContact CG-CD2 4.32Å; M70-W79 HydrophobicContact CG-CG 4.27Å; M70-W79 HydrophobicContact CG-CZ2 4.38Å; M70-W79 HydrophobicContact SD-CZ2 3.99Å; M70-W79 PolarHBondContact SD-NE1 2.93Å; M70-W79 VanDerWaalsContact SD-NE1 3.39Å
71T98.6Very high98.2Very high85 Ų8572 Ų7252%0.52140%0.399SS..EExtended strand (participates in β ladder)trans-143.8162.5176.3-166.30000112V78T71-V78 HydrophobicContact CG2-CB 4.32Å; T71-V78 PolarHBondContact N-O 2.8Å; T71-V78 PolarHBondContact O-N 2.85Å
72G98.3Very high98.2Very high50 Ų5067.6 Ų67.652%0.51538%0.378SS..EExtended strand (participates in β ladder)trans-111.2138.6171.900000111.5T76G72-T76 CarbonylContact C-O 3.52Å; G72-T76 WeakPolarHBondContact CA-O 3.18Å
73V97.9Very high98.1Very high94 Ų9462.5 Ų62.557%0.5736%0.362SS*.EExtended strand (participates in β ladder)trans-136.6111.1173.959.30000109.8Q75 T76 V78V73-Q75 PolarHBondContact O-N 2.93Å; V73-T76 PolarHBondContact N-O 2.79Å; V73-T76 WeakPolarHBondContact O-CB 3.22Å; V73-T76 PolarHBondContact O-N 2.83Å; V73-V78 HydrophobicContact CG1-CG2 4.12Å
74G97.7Very high97Very high78 Ų7867.5 Ų67.580%0.80439%0.388SS*.THydrogen-bonded Turntrans61.6-120.9-170.900000111.3
75Q97.6Very high97Very high144 Ų14469.1 Ų69.167%0.67339%0.389SS*.THydrogen-bonded Turntrans-99.914.3174.2-63.8-63.5-57.900112.5Q9 I10 V73Q9-Q75 CarbonylContact C-O 3.57Å; Q9-Q75 WeakPolarHBondContact CA-O 3.4Å; I10-Q75 PolarHBondContact N-O 2.84Å; V73-Q75 PolarHBondContact O-N 2.93Å
76T98.5Very high96.9Very high29 Ų2971.9 Ų71.918%0.17841%0.406CS..EExtended strand (participates in β ladder)trans-107.7132.9-177.2-52.30000110.1T8 Q9 G72 V73 V78T8-T76 CarbonylContact O-C 3.49Å; T8-T76 WeakPolarHBondContact O-CA 3.48Å; Q9-T76 HydrophobicContact CG-CG2 4.37Å; G72-T76 CarbonylContact C-O 3.52Å; G72-T76 WeakPolarHBondContact CA-O 3.18Å; V73-T76 PolarHBondContact N-O 2.79Å; V73-T76 WeakPolarHBondContact O-CB 3.22Å; V73-T76 PolarHBondContact O-N 2.83Å; T76-V78 HydrophobicContact CG2-CG2 4.07Å
77L98.7Very high96.9Very high54 Ų5469.5 Ų69.528%0.28340%0.404SS..EExtended strand (participates in β ladder)trans-98136.7166-70.4169.1000109.3S7 T8 M12 W79S7-L77 CarbonylContact C-O 3.55Å; S7-L77 WeakPolarHBondContact CA-O 3.31Å; S7-L77 WeakPolarHBondContact CB-O 3.48Å; T8-L77 HydrophobicContact CG2-CB 4.5Å; T8-L77 PolarHBondContact N-O 2.85Å; T8-L77 PolarHBondContact O-N 2.99Å; M12-L77 HydrophobicContact CB-CD1 3.95Å; L77-W79 HydrophobicContact CB-CH2 3.55Å; L77-W79 HydrophobicContact CB-CZ2 4.32Å; L77-W79 HydrophobicContact CB-CZ3 3.7Å; L77-W79 HydrophobicContact CD1-CH2 4.06Å; L77-W79 HydrophobicContact CG-CH2 4.44Å
78V98.8Very high96.7Very high33 Ų3370.2 Ų70.220%0.241%0.407CS..EExtended strand (participates in β ladder)trans-127.1134.4-178.6-174.70000109.6I6 M70 T71 V73 T76I6-V78 WeakPolarHBondContact O-CA 3.15Å; M70-V78 WeakPolarHBondContact CA-O 3.19Å; T71-V78 HydrophobicContact CG2-CB 4.32Å; T71-V78 PolarHBondContact N-O 2.8Å; T71-V78 PolarHBondContact O-N 2.85Å; V73-V78 HydrophobicContact CG1-CG2 4.12Å; T76-V78 HydrophobicContact CG2-CG2 4.07Å
79W98.8Very high96.6Very high13 Ų1370.1 Ų70.15%0.04941%0.409CS..EExtended strand (participates in β ladder)trans-112.8131.2170.8-65.6-98.3000109.7L5 I6 T8 P53 L57 M70 L77 L81L5-W79 WeakPolarHBondContact CA-O 3.4Å; I6-W79 HydrophobicContact CD1-CB 4.47Å; I6-W79 HydrophobicContact CG1-CB 3.85Å; I6-W79 HydrophobicContact CG1-CE3 4.14Å; I6-W79 HydrophobicContact CG1-CG 4.49Å; I6-W79 PolarHBondContact N-O 3.22Å; I6-W79 VanDerWaalsContact N-O 3.07Å; I6-W79 PolarHBondContact O-N 2.96Å; T8-W79 HydrophobicContact CG2-CH2 4.09Å; T8-W79 HydrophobicContact CG2-CZ3 4.02Å; P53-W79 HydrophobicContact CB-CE3 4.28Å; P53-W79 HydrophobicContact CB-CH2 3.65Å; P53-W79 HydrophobicContact CB-CZ2 4.24Å; P53-W79 HydrophobicContact CB-CZ3 3.68Å; P53-W79 HydrophobicContact CG-CH2 3.71Å; P53-W79 HydrophobicContact CG-CZ2 4.39Å; P53-W79 HydrophobicContact CG-CZ3 4.13Å; L57-W79 HydrophobicContact CD1-CG 4.42Å; L57-W79 HydrophobicContact CD2-CB 4.38Å; L57-W79 HydrophobicContact CD2-CG 4.3Å; M70-W79 HydrophobicContact CG-CD2 4.32Å; M70-W79 HydrophobicContact CG-CG 4.27Å; M70-W79 HydrophobicContact CG-CZ2 4.38Å; M70-W79 HydrophobicContact SD-CZ2 3.99Å; M70-W79 PolarHBondContact SD-NE1 2.93Å; M70-W79 VanDerWaalsContact SD-NE1 3.39Å; L77-W79 HydrophobicContact CB-CH2 3.55Å; L77-W79 HydrophobicContact CB-CZ2 4.32Å; L77-W79 HydrophobicContact CB-CZ3 3.7Å; L77-W79 HydrophobicContact CD1-CH2 4.06Å; L77-W79 HydrophobicContact CG-CH2 4.44Å; W79-L81 HydrophobicContact CB-CD1 4.06Å
80C98.7Very high96.5Very high35 Ų3570.2 Ų70.224%0.23641%0.405CS..EExtended strand (participates in β ladder)trans-99.8121169.5-179.30000108.7L5 L68 S69L5-C80 HydrophobicContact CD2-CB 3.85Å; L68-C80 PolarHBondContact N-O 3.43Å; S69-C80 PolarHBondContact N-O 2.93Å; S69-C80 PolarHBondContact O-N 2.88Å
81L98.8Very high96.4Very high2 Ų267.1 Ų67.11%0.0139%0.394CS..EExtended strand (participates in β ladder)trans-116.8153.8177.7-55.994.2000111Y3 L4 I6 L57 L60 F65 R66 V67 W79Y3-L81 WeakPolarHBondContact CA-O 3.32Å; L4-L81 HydrophobicContact CB-CB 4.4Å; L4-L81 PolarHBondContact N-O 2.78Å; L4-L81 PolarHBondContact O-N 3.21Å; I6-L81 HydrophobicContact CD1-CD1 4.29Å; I6-L81 HydrophobicContact CG1-CD1 3.99Å; I6-L81 HydrophobicContact CG2-CD1 4.32Å; L57-L81 HydrophobicContact CD2-CD1 4.24Å; L57-L81 HydrophobicContact CD2-CD2 3.79Å; L57-L81 HydrophobicContact CD2-CG 4.37Å; L60-L81 HydrophobicContact CB-CD2 4.07Å; L60-L81 HydrophobicContact CD1-CD1 4.2Å; L60-L81 HydrophobicContact CD1-CD2 3.85Å; F65-L81 HydrophobicContact CB-CB 4.18Å; F65-L81 HydrophobicContact CB-CD2 3.96Å; F65-L81 HydrophobicContact CD1-CB 4.18Å; R66-L81 CarbonylContact O-C 3.57Å; R66-L81 VanDerWaalsContact O-CA 3.22Å; R66-L81 WeakPolarHBondContact O-CA 3.38Å; V67-L81 HydrophobicContact CG2-CD2 4.01Å; V67-L81 HydrophobicContact CG2-CG 4.17Å; W79-L81 HydrophobicContact CB-CD1 4.06Å
82H98.5Very high96.2Very high46 Ų4665.8 Ų65.821%0.21338%0.384CS..EExtended strand (participates in β ladder)trans-133.9138.8173.7179.9-96000110.5P2 Y3 F65 R66 L68 E84P2-H82 CarbonylContact O-C 3.57Å; P2-H82 VanDerWaalsContact O-CA 3.29Å; P2-H82 WeakPolarHBondContact O-CA 3.36Å; Y3-H82 HydrophobicContact CD1-CB 4.14Å; Y3-H82 AromaticContact CD1-CD2 3.9Å; Y3-H82 AromaticContact CD2-CD2 3.9Å; Y3-H82 HydrophobicContact CE1-CB 4.02Å; Y3-H82 AromaticContact CE1-CD2 3.59Å; Y3-H82 AromaticContact CE2-CD2 3.55Å; Y3-H82 AromaticContact CZ-CD2 3.38Å; F65-H82 CarbonylContact C-O 3.5Å; F65-H82 WeakPolarHBondContact CA-O 3.38Å; R66-H82 PolarHBondContact N-O 2.85Å; R66-H82 PolarHBondContact O-N 2.76Å; L68-H82 HydrophobicContact CD1-CB 3.5Å; L68-H82 HydrophobicContact CD2-CB 4.1Å; L68-H82 HydrophobicContact CG-CB 3.72Å; H82-E84 PolarHBondContact O-N 3.19Å
83K94.1Very high96Very high98 Ų9867.1 Ų67.143%0.42637%0.373SS..EExtended strand (participates in β ladder)trans-82108.9173-168.4166.8-174.4164.20108.8P2 R63 G64 F65P2-K83 PolarHBondContact O-N 2.92Å; R63-K83 VanDerWaalsContact O-CE 3.29Å; R63-K83 WeakPolarHBondContact O-CE 3.37Å; R63-K83 PolarHBondContact O-NZ 2.83Å; G64-K83 WeakPolarHBondContact O-CA 3.38Å; F65-K83 HydrophobicContact CD1-CB 3.96Å; F65-K83 HydrophobicContact CE1-CB 3.82Å; F65-K83 HydrophobicContact CE2-CD 4.32Å; F65-K83 HydrophobicContact CG-CB 4.46Å; F65-K83 HydrophobicContact CZ-CB 4.21Å; F65-K83 HydrophobicContact CZ-CD 4.24Å
84E74.2Confident95.8Very high179 Ų17964.6 Ų64.684%0.83636%0.355SS*.  trans-69.30176.7-61.8-165147.400112.4G64 R66 H82G64-E84 PolarHBondContact O-N 2.88Å; R66-E84 HydrophobicContact CB-CG 4.35Å; R66-E84 IonicContact CZ-OE1 2.63Å; R66-E84 VanDerWaalsContact CZ-OE1 3.22Å; R66-E84 IonicContact NE-OE1 3.82Å; R66-E84 PolarHBondContact NE-OE1 2.92Å; R66-E84 IonicContact NE-OE2 3.43Å; R66-E84 IonicContact NH2-OE1 3.92Å; R66-E84 PolarHBondContact NH2-OE1 2.99Å; H82-E84 PolarHBondContact O-N 3.19Å

Retrieved 84 of 84 residues in 250.4 ms (Link to these results)

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