G4M0A6_SCHMA Loading...

6-pyruvoyl tetrahydropterin synthase

AlphaFold DB , UniProt , Accession G4M0A6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 145 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
1M81.9Confident96.2Very high235 Ų23581.8 Ų81.8100%1.15844%0.438SS*.  0136.90-68.1-148.6-75.400108.2
2S91.8Very high96.4Very high52 Ų5282.3 Ų82.336%0.36445%0.453SS..PPolyproline II helixtrans-89.3146.2170.8-69.70000109.9I56S2-I56 WeakPolarHBondContact CB-O 3.44Å; S2-I56 PolarHBondContact OG-O 3.09Å
3A97.4Very high96.6Very high62 Ų6276.2 Ų76.251%0.51242%0.419SS..PPolyproline II helixtrans-67.6142.217200000110.3P55 I56A3-P55 CarbonylContact O-C 3.56Å; A3-P55 WeakPolarHBondContact O-CA 3.33Å; A3-I56 HydrophobicContact CB-CD1 4.2Å; A3-I56 PolarHBondContact O-N 2.86Å
4L98.1Very high96.8Very high106 Ų10673.6 Ų73.656%0.55541%0.409SS*.EExtended strand (participates in β ladder)trans-80.8129.5170.3-179.771.8000108.8Y6L4-Y6 HydrophobicContact CD2-CE2 4.29Å; L4-Y6 HydrophobicContact CG-CE2 4.48Å
5C98.2Very high96.9Very high49 Ų4969.2 Ų69.233%0.33139%0.386SS..EExtended strand (participates in β ladder)trans-129.7155.9175.9-83.60000111.9S53 G54 I56 V63C5-S53 WeakPolarHBondContact O-CA 3.34Å; C5-S53 PolarHBondContact O-OG 3.09Å; C5-G54 PolarHBondContact N-O 3.44Å; C5-G54 PolarHBondContact O-N 2.68Å; C5-G54 VanDerWaalsContact O-N 3.15Å; C5-I56 HydrophobicContact CB-CG1 4.1Å; C5-V63 HydrophobicContact CB-CG2 3.67Å
6Y98.5Very high97Very high125 Ų12567.8 Ų67.849%0.4938%0.381SS..EExtended strand (participates in β ladder)trans-112.7126.8174.5-60.8-95.9000108.2L4 T51 V52 S53 Y123L4-Y6 HydrophobicContact CD2-CE2 4.29Å; L4-Y6 HydrophobicContact CG-CE2 4.48Å; Y6-T51 HydrophobicContact CD1-CG2 4.19Å; Y6-V52 WeakPolarHBondContact CA-O 3.17Å; Y6-S53 WeakPolarHBondContact CD1-OG 3.48Å; Y6-S53 WeakPolarHBondContact CE1-OG 3.34Å; Y6-Y123 AromaticContact CD1-CD1 3.77Å; Y6-Y123 HydrophobicContact CD1-CD1 3.77Å; Y6-Y123 AromaticContact CD1-CE1 3.9Å; Y6-Y123 HydrophobicContact CD1-CE1 3.9Å; Y6-Y123 HydrophobicContact CD1-CG 4.1Å; Y6-Y123 AromaticContact CE1-CD1 3.83Å; Y6-Y123 HydrophobicContact CE1-CD1 3.83Å; Y6-Y123 AromaticContact CE1-CD2 3.91Å; Y6-Y123 HydrophobicContact CE1-CD2 3.91Å; Y6-Y123 AromaticContact CE1-CE1 3.68Å; Y6-Y123 HydrophobicContact CE1-CE1 3.68Å; Y6-Y123 AromaticContact CE1-CE2 3.76Å; Y6-Y123 HydrophobicContact CE1-CE2 3.76Å; Y6-Y123 AromaticContact CE1-CG 3.95Å; Y6-Y123 HydrophobicContact CE1-CG 3.95Å; Y6-Y123 AromaticContact CE1-CZ 3.64Å
7L98.2Very high97.1Very high50 Ų5063.8 Ų63.826%0.26236%0.359SS..EExtended strand (participates in β ladder)trans-117.7119178.8172.664.8000108.4T51 V52 I66L7-T51 WeakPolarHBondContact O-CA 3.49Å; L7-V52 HydrophobicContact CB-CG2 3.83Å; L7-V52 HydrophobicContact CD2-CG2 4.24Å; L7-V52 HydrophobicContact CG-CG2 4.32Å; L7-V52 PolarHBondContact N-O 2.96Å; L7-V52 PolarHBondContact O-N 2.83Å; L7-I66 HydrophobicContact CD1-CD1 4.09Å; L7-I66 HydrophobicContact CD2-CD1 4.06Å; L7-I66 HydrophobicContact CG-CD1 4.11Å
8T98.7Very high97.2Very high61 Ų6163.7 Ų63.737%0.37435%0.352SS..EExtended strand (participates in β ladder)trans-109.2125.4179.2-54.40000110.5V10 E49 I50 T51T8-V10 HydrophobicContact CG2-CG2 4.44Å; T8-E49 HydrophobicContact CG2-CB 3.88Å; T8-I50 CarbonylContact C-O 3.56Å; T8-I50 WeakPolarHBondContact CA-O 3.18Å; T8-T51 PolarHBondContact OG1-OG1 3.13Å
9R98.6Very high97.3Very high70 Ų7061.4 Ų61.426%0.26434%0.339SS..EExtended strand (participates in β ladder)trans-99.2130.4165.9-179.575-175.4114.37.5108.2E11 I50 I66 L69 I73R9-E11 HydrophobicContact CG-CG 4.31Å; R9-E11 IonicContact CZ-OE1 2.81Å; R9-E11 IonicContact CZ-OE2 3.01Å; R9-E11 IonicContact NE-OE1 2.96Å; R9-E11 PolarHBondContact NE-OE1 2.9Å; R9-E11 IonicContact NH2-OE1 3.74Å; R9-E11 PolarHBondContact NH2-OE1 3.15Å; R9-E11 IonicContact NH2-OE2 2.66Å; R9-E11 PolarHBondContact NH2-OE2 3.23Å; R9-I50 PolarHBondContact N-O 3Å; R9-I50 PolarHBondContact O-N 3.14Å; R9-I66 HydrophobicContact CB-CD1 3.95Å; R9-I66 HydrophobicContact CG-CD1 4.4Å; R9-L69 HydrophobicContact CB-CD2 3.81Å; R9-L69 HydrophobicContact CB-CG 4.2Å; R9-I73 HydrophobicContact CB-CD1 3.97Å; R9-I73 HydrophobicContact CG-CD1 3.89Å
10V98.8Very high97.3Very high63 Ų6361.4 Ų61.438%0.38234%0.336SS..EExtended strand (participates in β ladder)trans-103.2130.2173.3-169.50000109T8 K47 L48 E49T8-V10 HydrophobicContact CG2-CG2 4.44Å; V10-K47 HydrophobicContact CG1-CD 3.82Å; V10-K47 HydrophobicContact CG1-CG 3.6Å; V10-L48 CarbonylContact C-O 3.59Å; V10-L48 WeakPolarHBondContact CA-O 3.39Å; V10-E49 HydrophobicContact CG1-CG 4.15Å; V10-E49 HydrophobicContact CG2-CG 4.01Å
11E98.6Very high97.4Very high27 Ų2759.1 Ų59.113%0.12633%0.325CS..EExtended strand (participates in β ladder)trans-128.8166.8171.3-60.3-65.317700109.4R9 L48 I73 L78R9-E11 HydrophobicContact CG-CG 4.31Å; R9-E11 IonicContact CZ-OE1 2.81Å; R9-E11 IonicContact CZ-OE2 3.01Å; R9-E11 IonicContact NE-OE1 2.96Å; R9-E11 PolarHBondContact NE-OE1 2.9Å; R9-E11 IonicContact NH2-OE1 3.74Å; R9-E11 PolarHBondContact NH2-OE1 3.15Å; R9-E11 IonicContact NH2-OE2 2.66Å; R9-E11 PolarHBondContact NH2-OE2 3.23Å; E11-L48 PolarHBondContact N-O 3.3Å; E11-L48 PolarHBondContact O-N 3.41Å; E11-I73 HydrophobicContact CG-CG2 3.91Å; E11-L78 HydrophobicContact CB-CD1 4.25Å; E11-L78 HydrophobicContact CB-CD2 4.41Å; E11-L78 HydrophobicContact CG-CD1 4.23Å
12S98.7Very high98.1Very high88 Ų8853.2 Ų53.262%0.61529%0.294SS*.EExtended strand (participates in β ladder)trans-130149.6172.3-57.50000109.9Y46S12-Y46 VanDerWaalsContact CA-O 3.25Å; S12-Y46 WeakPolarHBondContact CA-O 3.33Å
13F98.8Very high98.3Very high3 Ų358 Ų581%0.01331%0.311CS..EExtended strand (participates in β ladder)trans-148.6154.517167.2-85.1000110.6A15 N45 Y46 L48 L78 L81 D82 L105F13-A15 HydrophobicContact CD2-CB 4.05Å; F13-A15 HydrophobicContact CE2-CB 4.01Å; F13-N45 CarbonylContact O-C 3.5Å; F13-Y46 AromaticContact CD2-CD2 3.91Å; F13-Y46 HydrophobicContact CD2-CD2 3.91Å; F13-Y46 HydrophobicContact CD2-CG 4.44Å; F13-Y46 HydrophobicContact CE1-CG 4.16Å; F13-Y46 AromaticContact CE2-CD2 3.34Å; F13-Y46 HydrophobicContact CE2-CD2 3.34Å; F13-Y46 AromaticContact CE2-CE2 3.99Å; F13-Y46 HydrophobicContact CE2-CE2 3.99Å; F13-Y46 AromaticContact CE2-CG 3.76Å; F13-Y46 HydrophobicContact CE2-CG 3.76Å; F13-Y46 HydrophobicContact CZ-CD1 4.3Å; F13-Y46 AromaticContact CZ-CD2 3.71Å; F13-Y46 HydrophobicContact CZ-CD2 3.71Å; F13-Y46 HydrophobicContact CZ-CE2 4.48Å; F13-Y46 AromaticContact CZ-CG 3.59Å; F13-Y46 HydrophobicContact CZ-CG 3.59Å; F13-Y46 PolarHBondContact N-O 3.44Å; F13-Y46 VanDerWaalsContact N-O 3.07Å; F13-Y46 PolarHBondContact O-N 3.15Å; F13-L48 HydrophobicContact CD1-CB 4.39Å; F13-L48 HydrophobicContact CE1-CB 4.16Å; F13-L78 HydrophobicContact CB-CD2 3.92Å; F13-L78 HydrophobicContact CD1-CD2 4.12Å; F13-L78 HydrophobicContact CG-CD2 4.34Å; F13-L81 HydrophobicContact CD2-CB 3.9Å; F13-L81 HydrophobicContact CE2-CB 3.92Å; F13-L81 HydrophobicContact CE2-CD1 4.15Å; F13-L81 HydrophobicContact CZ-CD1 4.04Å; F13-D82 VanDerWaalsContact CA-OD1 3.28Å; F13-D82 WeakPolarHBondContact CA-OD1 3.38Å; F13-D82 HydrophobicContact CB-CB 3.83Å; F13-D82 WeakPolarHBondContact CB-OD1 3.32Å; F13-L105 HydrophobicContact CZ-CD2 4.11Å
14S98.8Very high98.4Very high40 Ų4057.6 Ų57.628%0.2830%0.299SS..EExtended strand (participates in β ladder)trans-109.3125.9178.3-56.50000108.9H44 N45 D82 H83S14-H44 WeakPolarHBondContact CA-O 3.38Å; S14-N45 PolarHBondContact OG-OD1 2.75Å; S14-N45 VanDerWaalsContact OG-OD1 3.11Å; S14-D82 PolarHBondContact N-OD1 3.2Å; S14-H83 WeakPolarHBondContact O-CA 3.44Å; S14-H83 PolarHBondContact O-N 3.09Å
15A98.8Very high98.4Very high7 Ų755.2 Ų55.26%0.05829%0.292CS..EExtended strand (participates in β ladder)trans-146.4153177.200000111.2F13 G43 H44 Y46 L81 K84 I86F13-A15 HydrophobicContact CD2-CB 4.05Å; F13-A15 HydrophobicContact CE2-CB 4.01Å; A15-G43 VanDerWaalsContact O-CA 3.31Å; A15-G43 WeakPolarHBondContact O-CA 3.1Å; A15-H44 PolarHBondContact N-O 2.96Å; A15-H44 VanDerWaalsContact N-O 3.13Å; A15-H44 PolarHBondContact O-N 3.47Å; A15-Y46 HydrophobicContact CB-CD2 4.34Å; A15-Y46 HydrophobicContact CB-CE2 3.98Å; A15-L81 WeakPolarHBondContact CB-O 3.36Å; A15-K84 WeakPolarHBondContact CA-O 3.47Å; A15-K84 WeakPolarHBondContact CB-O 3.48Å; A15-I86 HydrophobicContact CB-CD1 4.04Å; A15-I86 HydrophobicContact CB-CG1 3.9Å
16C98.7Very high98.4Very high46 Ų4658 Ų5831%0.31130%0.303SS..EExtended strand (participates in β ladder)trans-111.4156.6172.970.80000112.3H42 K84 N85 I86C16-H42 CarbonylContact C-O 3.45Å; C16-H42 WeakPolarHBondContact CA-O 3.35Å; C16-H42 WeakPolarHBondContact CB-O 3.49Å; C16-K84 PolarHBondContact N-O 2.95Å; C16-N85 CarbonylContact O-C 3.52Å; C16-N85 WeakPolarHBondContact O-CA 3.37Å; C16-N85 VanDerWaalsContact SG-CA 3.59Å; C16-I86 PolarHBondContact O-N 3.09Å
17H98.7Very high98.4Very high0 Ų059.9 Ų59.90%032%0.317CS..EExtended strand (participates in β ladder)trans-161.8168.5-179.870163.8000112.2G41 H42 H44 Y46 I86 D87 S100H17-G41 CarbonylContact O-C 3.56Å; H17-G41 WeakPolarHBondContact O-CA 3.37Å; H17-H42 AromaticContact CD2-CE1 3.21Å; H17-H42 PolarHBondContact CD2-CE1 3.41Å; H17-H42 AromaticContact CD2-ND1 3.55Å; H17-H42 AromaticContact CD2-NE2 3.77Å; H17-H42 PolarHBondContact N-O 2.88Å; H17-H42 AromaticContact NE2-CE1 3.05Å; H17-H42 PolarHBondContact NE2-CE1 2.83Å; H17-H42 AromaticContact NE2-ND1 3.85Å; H17-H42 AromaticContact NE2-NE2 3.23Å; H17-H42 PolarHBondContact NE2-NE2 2.85Å; H17-H42 PolarHBondContact O-N 3.49Å; H17-H42 PolarHBondContact O-ND1 3.15Å; H17-H44 AromaticContact NE2-CD2 3.31Å; H17-H44 PolarHBondContact NE2-CD2 2.78Å; H17-H44 VanDerWaalsContact NE2-CD2 3.31Å; H17-H44 AromaticContact NE2-NE2 3.21Å; H17-H44 PolarHBondContact NE2-NE2 3.1Å; H17-Y46 PolarHBondContact CE1-OH 2.98Å; H17-I86 HydrophobicContact CB-CB 4.1Å; H17-I86 HydrophobicContact CB-CD1 4.28Å; H17-I86 HydrophobicContact CB-CG1 4.43Å; H17-D87 WeakPolarHBondContact CA-OD2 3.23Å; H17-D87 WeakPolarHBondContact CB-OD2 3.41Å; H17-S100 WeakPolarHBondContact CB-OG 3.41Å; H17-S100 PolarHBondContact CE1-O 2.95Å; H17-S100 PolarHBondContact ND1-O 3.18Å
18R98.6Very high98.4Very high62 Ų6262.2 Ų62.223%0.23433%0.326CS..  trans-130118.6169.6-179.5-176.2-179.4-160.8-5.5108.4H20 N37 N38 D87R18-H20 HydrophobicContact CG-CB 4.19Å; R18-H20 PolarHBondContact O-N 2.76Å; R18-N37 PolarHBondContact NE-ND2 3.44Å; R18-N37 PolarHBondContact NE-O 2.92Å; R18-N37 PolarHBondContact NH2-O 3.43Å; R18-N37 PolarHBondContact NH2-OD1 2.81Å; R18-N38 VanDerWaalsContact CD-O 3.27Å; R18-N38 WeakPolarHBondContact CD-O 3.34Å; R18-N38 WeakPolarHBondContact CG-O 3.44Å; R18-D87 PolarHBondContact N-OD2 3.14Å
19L98.7Very high98.4Very high20 Ų2059.3 Ų59.311%0.10531%0.309CS..  trans-71.8104.9171.1-58.7-169.8000108.9F33 C36 N37 V99 S100 T101L19-F33 HydrophobicContact CB-CB 3.85Å; L19-F33 HydrophobicContact CB-CD1 3.57Å; L19-F33 HydrophobicContact CB-CD2 4.04Å; L19-F33 HydrophobicContact CB-CE1 4.06Å; L19-F33 HydrophobicContact CB-CE2 4.49Å; L19-F33 HydrophobicContact CB-CG 3.55Å; L19-F33 HydrophobicContact CB-CZ 4.5Å; L19-F33 HydrophobicContact CD1-CD1 3.74Å; L19-F33 HydrophobicContact CD1-CE1 4.29Å; L19-F33 HydrophobicContact CD1-CG 4.43Å; L19-F33 HydrophobicContact CG-CD1 4.32Å; L19-F33 WeakPolarHBondContact O-CD2 3.23Å; L19-C36 HydrophobicContact CB-CB 4.14Å; L19-C36 HydrophobicContact CD1-CB 3.71Å; L19-C36 HydrophobicContact CG-CB 3.87Å; L19-C36 PolarHBondContact N-O 2.78Å; L19-N37 PolarHBondContact O-ND2 2.93Å; L19-V99 HydrophobicContact CB-CG1 4.36Å; L19-V99 HydrophobicContact CD2-CG1 4.25Å; L19-S100 VanDerWaalsContact CD2-C 3.49Å; L19-S100 WeakPolarHBondContact CD2-O 3.3Å; L19-T101 HydrophobicContact CD1-CG2 4.42Å; L19-T101 HydrophobicContact CD2-CG2 3.97Å
20H98.5Very high98.4Very high61 Ų6161 Ų6128%0.28232%0.321SS..  trans-147.5127.4179-174.976.6000109.7R18 D26 N29 N37R18-H20 HydrophobicContact CG-CB 4.19Å; R18-H20 PolarHBondContact O-N 2.76Å; H20-D26 IonicContact CE1-OD1 3.58Å; H20-N29 WeakPolarHBondContact CA-OD1 3.25Å; H20-N29 PolarHBondContact CE1-ND2 2.71Å; H20-N29 VanDerWaalsContact CE1-ND2 3.32Å; H20-N29 VanDerWaalsContact ND1-CG 3.29Å; H20-N29 PolarHBondContact ND1-ND2 2.88Å; H20-N37 WeakPolarHBondContact CB-ND2 3.49Å; H20-N37 PolarHBondContact ND1-ND2 3.43Å
21S98.3Very high98.4Very high15 Ų1566.2 Ų66.211%0.10534%0.339CS..  trans-103.6125.6177.2178.70000109.9H23 L24 N29S21-H23 PolarHBondContact O-N 3.28Å; S21-H23 VanDerWaalsContact O-N 3.17Å; S21-H23 PolarHBondContact OG-N 3.22Å; S21-L24 PolarHBondContact O-N 3.16Å; S21-N29 PolarHBondContact N-OD1 2.95Å; S21-N29 PolarHBondContact O-ND2 2.8Å
22Q96.5Very high98.3Very high111 Ų11170.8 Ų70.852%0.51936%0.362SS..THydrogen-bonded Turntrans-64.3-13.9171.867.3176.9-0.700113.4S97Q22-S97 PolarHBondContact OE1-OG 3.2Å
23H97.2Very high98.3Very high153 Ų15368.5 Ų68.571%0.70834%0.341SS*.THydrogen-bonded Turntrans-90.8-3.8179.5-57.5-63.1000113S21S21-H23 PolarHBondContact O-N 3.28Å; S21-H23 VanDerWaalsContact O-N 3.17Å; S21-H23 PolarHBondContact OG-N 3.22Å
24L98.3Very high98.3Very high52 Ų5275.1 Ų75.127%0.27237%0.372SS..SBendtrans-113.7147.6177.1-63.3-179.4000109.1S21 E28 N29 M32 F33S21-L24 PolarHBondContact O-N 3.16Å; L24-E28 HydrophobicContact CB-CB 3.89Å; L24-E28 HydrophobicContact CD2-CB 4.27Å; L24-E28 HydrophobicContact CG-CB 4.46Å; L24-N29 WeakPolarHBondContact CB-ND2 3.44Å; L24-N29 PolarHBondContact O-ND2 2.9Å; L24-M32 HydrophobicContact CD1-CB 4.37Å; L24-M32 HydrophobicContact CD1-CG 4.45Å; L24-F33 HydrophobicContact CD1-CE2 4.37Å
25S98.2Very high98.2Very high57 Ų5782.3 Ų82.340%0.39940%0.398SS..  trans-63.4165.9166.162.20000111.6E27 E28 N29S25-E27 VanDerWaalsContact C-N 3.3Å; S25-E27 PolarHBondContact O-N 3.48Å; S25-E28 WeakPolarHBondContact CB-OE2 3.38Å; S25-E28 PolarHBondContact N-OE2 3.11Å; S25-E28 PolarHBondContact O-N 3.45Å; S25-E28 WeakPolarHBondContact OG-CB 3.45Å; S25-E28 VanDerWaalsContact OG-CD 3.29Å; S25-E28 WeakPolarHBondContact OG-CG 3.33Å; S25-E28 PolarHBondContact OG-N 2.78Å; S25-E28 PolarHBondContact OG-OE2 2.89Å; S25-N29 WeakPolarHBondContact O-CB 3.41Å; S25-N29 PolarHBondContact O-N 3.25Å; S25-N29 PolarHBondContact O-ND2 3.31Å
26D97.9Very high98.2Very high107 Ų10783.8 Ų83.857%0.57241%0.407SS*.Hα-helixtrans-59.9-41176.3-74.5-25.3000112.1H20 N29 I30H20-D26 IonicContact CE1-OD1 3.58Å; D26-N29 PolarHBondContact O-N 2.88Å; D26-I30 VanDerWaalsContact O-CG1 3.26Å; D26-I30 WeakPolarHBondContact O-CG1 3.44Å; D26-I30 PolarHBondContact O-N 2.81Å
27E98.3Very high98.2Very high164 Ų16481.8 Ų81.877%0.76639%0.394SS*.Hα-helixtrans-63.8-43176.8-66.8-178.1-171.500111.9S25 I30 K31S25-E27 VanDerWaalsContact C-N 3.3Å; S25-E27 PolarHBondContact O-N 3.48Å; E27-I30 PolarHBondContact O-N 3.08Å; E27-K31 VanDerWaalsContact O-CB 3.31Å; E27-K31 WeakPolarHBondContact O-CB 3.27Å; E27-K31 PolarHBondContact O-N 2.85Å
28E98.6Very high98.1Very high100 Ų10085.4 Ų85.447%0.46741%0.413SS..Hα-helixtrans-65.1-41.3176-74.3168.3131.100111.8L24 S25 K31 M32L24-E28 HydrophobicContact CB-CB 3.89Å; L24-E28 HydrophobicContact CD2-CB 4.27Å; L24-E28 HydrophobicContact CG-CB 4.46Å; S25-E28 WeakPolarHBondContact CB-OE2 3.38Å; S25-E28 PolarHBondContact N-OE2 3.11Å; S25-E28 PolarHBondContact O-N 3.45Å; S25-E28 WeakPolarHBondContact OG-CB 3.45Å; S25-E28 VanDerWaalsContact OG-CD 3.29Å; S25-E28 WeakPolarHBondContact OG-CG 3.33Å; S25-E28 PolarHBondContact OG-N 2.78Å; S25-E28 PolarHBondContact OG-OE2 2.89Å; E28-K31 PolarHBondContact O-N 2.81Å; E28-M32 WeakPolarHBondContact O-CB 3.39Å; E28-M32 PolarHBondContact O-N 3.44Å
29N98.7Very high98.1Very high0 Ų086.9 Ų86.90%043%0.431CS..Hα-helixtrans-61.7-47.5175.9-88-66.9000112.2H20 S21 L24 S25 D26 K31 M32 F33H20-N29 WeakPolarHBondContact CA-OD1 3.25Å; H20-N29 PolarHBondContact CE1-ND2 2.71Å; H20-N29 VanDerWaalsContact CE1-ND2 3.32Å; H20-N29 VanDerWaalsContact ND1-CG 3.29Å; H20-N29 PolarHBondContact ND1-ND2 2.88Å; S21-N29 PolarHBondContact N-OD1 2.95Å; S21-N29 PolarHBondContact O-ND2 2.8Å; L24-N29 WeakPolarHBondContact CB-ND2 3.44Å; L24-N29 PolarHBondContact O-ND2 2.9Å; S25-N29 WeakPolarHBondContact O-CB 3.41Å; S25-N29 PolarHBondContact O-N 3.25Å; S25-N29 PolarHBondContact O-ND2 3.31Å; D26-N29 PolarHBondContact O-N 2.88Å; N29-K31 VanDerWaalsContact C-N 3.32Å; N29-K31 PolarHBondContact O-N 3.36Å; N29-M32 PolarHBondContact O-N 3.08Å; N29-F33 PolarHBondContact O-N 2.93Å; N29-F33 WeakPolarHBondContact OD1-CE2 3.43Å
30I98.2Very high98Very high104 Ų10494.1 Ų94.153%0.53347%0.466SS..Hα-helixtrans-60.6-44.5176.9-69.8165.1000110.1D26 E27 Q34D26-I30 VanDerWaalsContact O-CG1 3.26Å; D26-I30 WeakPolarHBondContact O-CG1 3.44Å; D26-I30 PolarHBondContact O-N 2.81Å; E27-I30 PolarHBondContact O-N 3.08Å; I30-Q34 WeakPolarHBondContact O-CA 3.36Å; I30-Q34 PolarHBondContact O-N 2.9Å
31K98.4Very high98Very high174 Ų17491.7 Ų91.776%0.75746%0.457SS*.Hα-helixtrans-66.2-41.2179.3-174.9178.7178.5-177.80112.5E27 E28 N29E27-K31 VanDerWaalsContact O-CB 3.31Å; E27-K31 WeakPolarHBondContact O-CB 3.27Å; E27-K31 PolarHBondContact O-N 2.85Å; E28-K31 PolarHBondContact O-N 2.81Å; N29-K31 VanDerWaalsContact C-N 3.32Å; N29-K31 PolarHBondContact O-N 3.36Å
32M98.4Very high98Very high122 Ų12293 Ų9360%0.60146%0.462SS*.Hα-helixtrans-71.8-56.2-176.5-177.763.171.400111.8L24 E28 N29L24-M32 HydrophobicContact CD1-CB 4.37Å; L24-M32 HydrophobicContact CD1-CG 4.45Å; E28-M32 WeakPolarHBondContact O-CB 3.39Å; E28-M32 PolarHBondContact O-N 3.44Å; N29-M32 PolarHBondContact O-N 3.08Å
33F98.2Very high98.1Very high41 Ų4190.2 Ų90.218%0.1846%0.462CS..Hα-helixtrans-98-9.4-170.8-59.8-62.3000113.3L19 L24 N29 K35 C36 N37 V99 T101L19-F33 HydrophobicContact CB-CB 3.85Å; L19-F33 HydrophobicContact CB-CD1 3.57Å; L19-F33 HydrophobicContact CB-CD2 4.04Å; L19-F33 HydrophobicContact CB-CE1 4.06Å; L19-F33 HydrophobicContact CB-CE2 4.49Å; L19-F33 HydrophobicContact CB-CG 3.55Å; L19-F33 HydrophobicContact CB-CZ 4.5Å; L19-F33 HydrophobicContact CD1-CD1 3.74Å; L19-F33 HydrophobicContact CD1-CE1 4.29Å; L19-F33 HydrophobicContact CD1-CG 4.43Å; L19-F33 HydrophobicContact CG-CD1 4.32Å; L19-F33 WeakPolarHBondContact O-CD2 3.23Å; L24-F33 HydrophobicContact CD1-CE2 4.37Å; N29-F33 PolarHBondContact O-N 2.93Å; N29-F33 WeakPolarHBondContact OD1-CE2 3.43Å; F33-K35 PolarHBondContact O-N 2.88Å; F33-C36 HydrophobicContact CB-CB 4.4Å; F33-C36 VanDerWaalsContact O-CB 3.28Å; F33-C36 WeakPolarHBondContact O-CB 3.11Å; F33-C36 PolarHBondContact O-N 2.9Å; F33-N37 HydrophobicContact CB-CB 3.99Å; F33-V99 HydrophobicContact CE1-CG1 4.32Å; F33-V99 HydrophobicContact CE2-CG1 4.41Å; F33-V99 HydrophobicContact CZ-CG1 3.86Å; F33-T101 HydrophobicContact CE1-CG2 4.5Å
34Q98Very high98.1Very high141 Ų14184.3 Ų84.366%0.65944%0.435SS*.G310 helixtrans52.3-126.6173.9-54.6179.85.300111.7I30 C36 N37I30-Q34 WeakPolarHBondContact O-CA 3.36Å; I30-Q34 PolarHBondContact O-N 2.9Å; Q34-C36 PolarHBondContact O-N 2.84Å; Q34-C36 VanDerWaalsContact O-N 3.14Å; Q34-N37 WeakPolarHBondContact O-CB 3.44Å; Q34-N37 PolarHBondContact O-N 2.8Å
35K97.6Very high98.2Very high192 Ų19288.2 Ų88.284%0.83546%0.456SS*.G310 helixtrans-57.7-28.3-180-63.1-178.1-178.5179.20112.7F33 N37 N38F33-K35 PolarHBondContact O-N 2.88Å; K35-N37 PolarHBondContact O-N 2.89Å; K35-N38 PolarHBondContact O-N 3.12Å
36C98.1Very high98.2Very high37 Ų3785.5 Ų85.525%0.2544%0.437CS..G310 helixtrans-73.5-11.8178.2-59.50000113L19 F33 Q34L19-C36 HydrophobicContact CB-CB 4.14Å; L19-C36 HydrophobicContact CD1-CB 3.71Å; L19-C36 HydrophobicContact CG-CB 3.87Å; L19-C36 PolarHBondContact N-O 2.78Å; F33-C36 HydrophobicContact CB-CB 4.4Å; F33-C36 VanDerWaalsContact O-CB 3.28Å; F33-C36 WeakPolarHBondContact O-CB 3.11Å; F33-C36 PolarHBondContact O-N 2.9Å; Q34-C36 PolarHBondContact O-N 2.84Å; Q34-C36 VanDerWaalsContact O-N 3.14Å
37N98.4Very high98.2Very high5 Ų583.6 Ų83.63%0.02742%0.424CS..G310 helixtrans-88.78.5171.5-165.4-117.1000114.3R18 L19 H20 F33 Q34 K35 P39R18-N37 PolarHBondContact NE-ND2 3.44Å; R18-N37 PolarHBondContact NE-O 2.92Å; R18-N37 PolarHBondContact NH2-O 3.43Å; R18-N37 PolarHBondContact NH2-OD1 2.81Å; L19-N37 PolarHBondContact O-ND2 2.93Å; H20-N37 WeakPolarHBondContact CB-ND2 3.49Å; H20-N37 PolarHBondContact ND1-ND2 3.43Å; F33-N37 HydrophobicContact CB-CB 3.99Å; Q34-N37 WeakPolarHBondContact O-CB 3.44Å; Q34-N37 PolarHBondContact O-N 2.8Å; K35-N37 PolarHBondContact O-N 2.89Å; N37-P39 WeakPolarHBondContact O-CD 3.38Å; N37-P39 VanDerWaalsContact O-N 3.14Å
38N98.1Very high98.3Very high75 Ų7575.8 Ų75.840%0.40139%0.387SS..  trans-45.6124.4177.617922.2000111R18 K35 M40 G41R18-N38 VanDerWaalsContact CD-O 3.27Å; R18-N38 WeakPolarHBondContact CD-O 3.34Å; R18-N38 WeakPolarHBondContact CG-O 3.44Å; K35-N38 PolarHBondContact O-N 3.12Å; N38-M40 PolarHBondContact O-N 3.13Å; N38-M40 VanDerWaalsContact O-N 3.09Å; N38-G41 PolarHBondContact ND2-O 3.29Å; N38-G41 WeakPolarHBondContact O-CA 3.32Å; N38-G41 PolarHBondContact O-N 2.96Å
39P97.2Very high98.3Very high94 Ų9472.3 Ų72.361%0.6137%0.371SS*.THydrogen-bonded Turntrans-53.6-31.4-178.5-30.836.9000114.9N37 G41N37-P39 WeakPolarHBondContact O-CD 3.38Å; N37-P39 VanDerWaalsContact O-N 3.14Å; P39-G41 VanDerWaalsContact C-N 3.3Å
40M97.3Very high98.3Very high172 Ų17272.3 Ų72.385%0.84737%0.371SS*.THydrogen-bonded Turntrans-886.2176.2-57.9-51.7-58.200113.8N38N38-M40 PolarHBondContact O-N 3.13Å; N38-M40 VanDerWaalsContact O-N 3.09Å
41G98.1Very high98.3Very high9 Ų967.7 Ų67.79%0.09335%0.348CS..  trans72.2-171.2-176.300000114.3H17 N38 P39H17-G41 CarbonylContact O-C 3.56Å; H17-G41 WeakPolarHBondContact O-CA 3.37Å; N38-G41 PolarHBondContact ND2-O 3.29Å; N38-G41 WeakPolarHBondContact O-CA 3.32Å; N38-G41 PolarHBondContact O-N 2.96Å; P39-G41 VanDerWaalsContact C-N 3.3Å
42H98.3Very high98.3Very high44 Ų4459.4 Ų59.420%0.20431%0.312CS..EExtended strand (participates in β ladder)trans-151.5165.3172.465.5-56000108.6C16 H17 H44C16-H42 CarbonylContact C-O 3.45Å; C16-H42 WeakPolarHBondContact CA-O 3.35Å; C16-H42 WeakPolarHBondContact CB-O 3.49Å; H17-H42 AromaticContact CD2-CE1 3.21Å; H17-H42 PolarHBondContact CD2-CE1 3.41Å; H17-H42 AromaticContact CD2-ND1 3.55Å; H17-H42 AromaticContact CD2-NE2 3.77Å; H17-H42 PolarHBondContact N-O 2.88Å; H17-H42 AromaticContact NE2-CE1 3.05Å; H17-H42 PolarHBondContact NE2-CE1 2.83Å; H17-H42 AromaticContact NE2-ND1 3.85Å; H17-H42 AromaticContact NE2-NE2 3.23Å; H17-H42 PolarHBondContact NE2-NE2 2.85Å; H17-H42 PolarHBondContact O-N 3.49Å; H17-H42 PolarHBondContact O-ND1 3.15Å; H42-H44 AromaticContact CD2-CE1 3.7Å; H42-H44 AromaticContact CD2-NE2 3.28Å; H42-H44 PolarHBondContact CD2-NE2 3.16Å; H42-H44 VanDerWaalsContact CD2-NE2 3.28Å; H42-H44 AromaticContact NE2-CE1 3.74Å; H42-H44 AromaticContact NE2-NE2 3.06Å; H42-H44 PolarHBondContact NE2-NE2 2.66Å
43G98.2Very high98.3Very high51 Ų5154.6 Ų54.653%0.52629%0.29SS..EExtended strand (participates in β ladder)trans-125.4156.2-177.800000113.4A15A15-G43 VanDerWaalsContact O-CA 3.31Å; A15-G43 WeakPolarHBondContact O-CA 3.1Å
44H98.6Very high98.3Very high30 Ų3052.9 Ų52.914%0.13928%0.284CS..EExtended strand (participates in β ladder)trans-132.3151.9174-57.2-80.8000110.5S14 A15 H17 H42 Y46 E129S14-H44 WeakPolarHBondContact CA-O 3.38Å; A15-H44 PolarHBondContact N-O 2.96Å; A15-H44 VanDerWaalsContact N-O 3.13Å; A15-H44 PolarHBondContact O-N 3.47Å; H17-H44 AromaticContact NE2-CD2 3.31Å; H17-H44 PolarHBondContact NE2-CD2 2.78Å; H17-H44 VanDerWaalsContact NE2-CD2 3.31Å; H17-H44 AromaticContact NE2-NE2 3.21Å; H17-H44 PolarHBondContact NE2-NE2 3.1Å; H42-H44 AromaticContact CD2-CE1 3.7Å; H42-H44 AromaticContact CD2-NE2 3.28Å; H42-H44 PolarHBondContact CD2-NE2 3.16Å; H42-H44 VanDerWaalsContact CD2-NE2 3.28Å; H42-H44 AromaticContact NE2-CE1 3.74Å; H42-H44 AromaticContact NE2-NE2 3.06Å; H42-H44 PolarHBondContact NE2-NE2 2.66Å; H44-Y46 HydrophobicContact CB-CD1 4.43Å; H44-Y46 HydrophobicContact CB-CD2 3.99Å; H44-Y46 HydrophobicContact CB-CE1 4.14Å; H44-Y46 HydrophobicContact CB-CE2 3.66Å; H44-Y46 HydrophobicContact CB-CG 4.38Å; H44-Y46 AromaticContact CD2-CZ 3.81Å; H44-Y46 PolarHBondContact CD2-OH 3.01Å; H44-E129 HydrophobicContact CB-CG 4.35Å; H44-E129 IonicContact CE1-OE1 3.53Å; H44-E129 IonicContact NE2-OE1 3.69Å
45N98.6Very high98.3Very high133 Ų13350 Ų5071%0.71128%0.277SS*.EExtended strand (participates in β ladder)trans-97.589.7165.7-62.9-33.7000107F13 S14F13-N45 CarbonylContact O-C 3.5Å; S14-N45 PolarHBondContact OG-OD1 2.75Å; S14-N45 VanDerWaalsContact OG-OD1 3.11Å
46Y98.8Very high98.3Very high1 Ų143.4 Ų43.40%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-70.5141.2-176.8-64.2-87.9000110.7S12 F13 A15 H17 H44 I86 L105 I127 W128 E129S12-Y46 VanDerWaalsContact CA-O 3.25Å; S12-Y46 WeakPolarHBondContact CA-O 3.33Å; F13-Y46 AromaticContact CD2-CD2 3.91Å; F13-Y46 HydrophobicContact CD2-CD2 3.91Å; F13-Y46 HydrophobicContact CD2-CG 4.44Å; F13-Y46 HydrophobicContact CE1-CG 4.16Å; F13-Y46 AromaticContact CE2-CD2 3.34Å; F13-Y46 HydrophobicContact CE2-CD2 3.34Å; F13-Y46 AromaticContact CE2-CE2 3.99Å; F13-Y46 HydrophobicContact CE2-CE2 3.99Å; F13-Y46 AromaticContact CE2-CG 3.76Å; F13-Y46 HydrophobicContact CE2-CG 3.76Å; F13-Y46 HydrophobicContact CZ-CD1 4.3Å; F13-Y46 AromaticContact CZ-CD2 3.71Å; F13-Y46 HydrophobicContact CZ-CD2 3.71Å; F13-Y46 HydrophobicContact CZ-CE2 4.48Å; F13-Y46 AromaticContact CZ-CG 3.59Å; F13-Y46 HydrophobicContact CZ-CG 3.59Å; F13-Y46 PolarHBondContact N-O 3.44Å; F13-Y46 VanDerWaalsContact N-O 3.07Å; F13-Y46 PolarHBondContact O-N 3.15Å; A15-Y46 HydrophobicContact CB-CD2 4.34Å; A15-Y46 HydrophobicContact CB-CE2 3.98Å; H17-Y46 PolarHBondContact CE1-OH 2.98Å; H44-Y46 HydrophobicContact CB-CD1 4.43Å; H44-Y46 HydrophobicContact CB-CD2 3.99Å; H44-Y46 HydrophobicContact CB-CE1 4.14Å; H44-Y46 HydrophobicContact CB-CE2 3.66Å; H44-Y46 HydrophobicContact CB-CG 4.38Å; H44-Y46 AromaticContact CD2-CZ 3.81Å; H44-Y46 PolarHBondContact CD2-OH 3.01Å; Y46-I86 HydrophobicContact CE2-CD1 4.41Å; Y46-L105 HydrophobicContact CD1-CD2 4.49Å; Y46-L105 HydrophobicContact CE1-CD2 4.09Å; Y46-I127 HydrophobicContact CD1-CG2 3.67Å; Y46-I127 HydrophobicContact CE1-CG2 4.4Å; Y46-I127 HydrophobicContact CG-CG2 4.48Å; Y46-W128 WeakPolarHBondContact CA-O 3.42Å; Y46-E129 HydrophobicContact CD1-CB 4.24Å; Y46-E129 HydrophobicContact CD1-CG 4.48Å; Y46-E129 HydrophobicContact CE1-CB 3.96Å; Y46-E129 HydrophobicContact CE1-CG 3.84Å
47K98.9Very high98.3Very high66 Ų6645 Ų4529%0.28726%0.257SS..EExtended strand (participates in β ladder)trans-105122.6161.2177-172.261.1144.70108.6V10 E49 W128V10-K47 HydrophobicContact CG1-CD 3.82Å; V10-K47 HydrophobicContact CG1-CG 3.6Å; K47-E49 IonicContact NZ-OE1 3.96Å; K47-E49 PolarHBondContact NZ-OE1 2.88Å; K47-W128 HydrophobicContact CB-CB 4.05Å; K47-W128 HydrophobicContact CB-CG 4.4Å; K47-W128 PolarHBondContact N-O 3.39Å; K47-W128 VanDerWaalsContact NZ-NE1 3.19Å; K47-W128 PolarHBondContact O-N 3.47Å
48L98.9Very high98.2Very high0 Ų052.5 Ų52.50%029%0.291CS..EExtended strand (participates in β ladder)trans-106.3125.8-179.6179.964.9000110V10 E11 F13 I50 I73 V77 I109 V125 I127V10-L48 CarbonylContact C-O 3.59Å; V10-L48 WeakPolarHBondContact CA-O 3.39Å; E11-L48 PolarHBondContact N-O 3.3Å; E11-L48 PolarHBondContact O-N 3.41Å; F13-L48 HydrophobicContact CD1-CB 4.39Å; F13-L48 HydrophobicContact CE1-CB 4.16Å; L48-I50 HydrophobicContact CD1-CD1 3.73Å; L48-I50 HydrophobicContact CD1-CG1 4.43Å; L48-I50 HydrophobicContact CD2-CD1 4.08Å; L48-I50 HydrophobicContact CD2-CG1 4.12Å; L48-I50 HydrophobicContact CG-CD1 3.86Å; L48-I50 HydrophobicContact CG-CG1 4.02Å; L48-I73 HydrophobicContact CD2-CG2 4.22Å; L48-V77 HydrophobicContact CD2-CG1 3.75Å; L48-I109 HydrophobicContact CD1-CD1 3.91Å; L48-I109 HydrophobicContact CD1-CG2 4.39Å; L48-I109 HydrophobicContact CD2-CD1 4.34Å; L48-V125 HydrophobicContact CD1-CG1 4.14Å; L48-I127 HydrophobicContact CD1-CG1 3.86Å
49E98.9Very high98.2Very high27 Ų2760.4 Ų60.413%0.12632%0.316CS..EExtended strand (participates in β ladder)trans-115.2116.4172.9-59.8-179.4-161.200108.9T8 V10 K47 K126 W128T8-E49 HydrophobicContact CG2-CB 3.88Å; V10-E49 HydrophobicContact CG1-CG 4.15Å; V10-E49 HydrophobicContact CG2-CG 4.01Å; K47-E49 IonicContact NZ-OE1 3.96Å; K47-E49 PolarHBondContact NZ-OE1 2.88Å; E49-K126 HydrophobicContact CB-CB 4.11Å; E49-K126 PolarHBondContact N-O 2.9Å; E49-K126 PolarHBondContact O-N 3.48Å; E49-K126 WeakPolarHBondContact OE2-CD 3.46Å; E49-K126 IonicContact OE2-NZ 3.77Å; E49-W128 PolarHBondContact OE1-NE1 3.26Å
50I98.9Very high98.2Very high1 Ų159.9 Ų59.91%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-107.1117.9175.3-58.1-55.2000108.3T8 R9 L48 L69 I73 I109 L113 L122 V125T8-I50 CarbonylContact C-O 3.56Å; T8-I50 WeakPolarHBondContact CA-O 3.18Å; R9-I50 PolarHBondContact N-O 3Å; R9-I50 PolarHBondContact O-N 3.14Å; L48-I50 HydrophobicContact CD1-CD1 3.73Å; L48-I50 HydrophobicContact CD1-CG1 4.43Å; L48-I50 HydrophobicContact CD2-CD1 4.08Å; L48-I50 HydrophobicContact CD2-CG1 4.12Å; L48-I50 HydrophobicContact CG-CD1 3.86Å; L48-I50 HydrophobicContact CG-CG1 4.02Å; I50-L69 HydrophobicContact CG2-CD1 4.15Å; I50-I73 HydrophobicContact CB-CD1 3.7Å; I50-I73 HydrophobicContact CB-CG1 4.33Å; I50-I73 HydrophobicContact CG1-CD1 3.7Å; I50-I73 HydrophobicContact CG1-CG1 3.97Å; I50-I73 HydrophobicContact CG2-CD1 4.13Å; I50-I73 HydrophobicContact CG2-CG1 4.45Å; I50-I109 HydrophobicContact CD1-CG2 4.11Å; I50-L113 HydrophobicContact CD1-CD1 3.52Å; I50-L113 HydrophobicContact CG1-CD1 3.94Å; I50-L113 HydrophobicContact CG2-CD1 4.05Å; I50-L122 HydrophobicContact CG2-CD1 3.87Å; I50-V125 HydrophobicContact CD1-CB 4.34Å; I50-V125 HydrophobicContact CD1-CG1 4.23Å; I50-V125 HydrophobicContact CD1-CG2 3.88Å
51T98.8Very high98.1Very high7 Ų754.2 Ų54.24%0.04330%0.297CS..EExtended strand (participates in β ladder)trans-106.1129.2177.4-54.50000110Y6 L7 T8 Y123 E124Y6-T51 HydrophobicContact CD1-CG2 4.19Å; L7-T51 WeakPolarHBondContact O-CA 3.49Å; T8-T51 PolarHBondContact OG1-OG1 3.13Å; T51-Y123 HydrophobicContact CG2-CD1 3.89Å; T51-Y123 WeakPolarHBondContact O-CA 3.33Å; T51-Y123 WeakPolarHBondContact O-CB 3.22Å; T51-Y123 PolarHBondContact O-N 2.78Å; T51-E124 PolarHBondContact N-O 3.04Å; T51-E124 PolarHBondContact O-N 2.93Å; T51-E124 VanDerWaalsContact O-N 3.11Å
52V98.7Very high98.1Very high0 Ų057.4 Ų57.40%031%0.31CS..EExtended strand (participates in β ladder)trans-106.9151.6166.4-58.10000110Y6 L7 V63 M64 L69 V117 L121Y6-V52 WeakPolarHBondContact CA-O 3.17Å; L7-V52 HydrophobicContact CB-CG2 3.83Å; L7-V52 HydrophobicContact CD2-CG2 4.24Å; L7-V52 HydrophobicContact CG-CG2 4.32Å; L7-V52 PolarHBondContact N-O 2.96Å; L7-V52 PolarHBondContact O-N 2.83Å; V52-V63 HydrophobicContact CG2-CG1 4.27Å; V52-M64 HydrophobicContact CG2-CB 4.4Å; V52-L69 HydrophobicContact CG1-CD1 3.97Å; V52-L69 HydrophobicContact CG1-CD2 4.09Å; V52-L69 HydrophobicContact CG2-CD2 4.24Å; V52-V117 HydrophobicContact CG1-CG1 3.89Å; V52-L121 CarbonylContact C-O 3.59Å; V52-L121 WeakPolarHBondContact CA-O 3.31Å; V52-L121 HydrophobicContact CB-CB 4.12Å; V52-L121 WeakPolarHBondContact CB-O 3.46Å
53S98.5Very high98.1Very high20 Ų2056.5 Ų56.514%0.1431%0.308CS..EExtended strand (participates in β ladder)trans-136.5136179.6-169.10000111.1C5 Y6 L121C5-S53 WeakPolarHBondContact O-CA 3.34Å; C5-S53 PolarHBondContact O-OG 3.09Å; Y6-S53 WeakPolarHBondContact CD1-OG 3.48Å; Y6-S53 WeakPolarHBondContact CE1-OG 3.34Å; S53-L121 PolarHBondContact N-O 3.46Å; S53-L121 WeakPolarHBondContact O-CD2 3.39Å
54G98Very high98.1Very high5 Ų555 Ų555%0.05229%0.288CS..EExtended strand (participates in β ladder)trans-179.8173.3179.300000113.3C5 V63C5-G54 PolarHBondContact N-O 3.44Å; C5-G54 PolarHBondContact O-N 2.68Å; C5-G54 VanDerWaalsContact O-N 3.15Å; G54-V63 WeakPolarHBondContact O-CG2 3.39Å
55P97.9Very high98.1Very high81 Ų8156.5 Ų56.553%0.52630%0.296SS..EExtended strand (participates in β ladder)trans-65.8142.1175.728.2-33.5000110.6A3 D57A3-P55 CarbonylContact O-C 3.56Å; A3-P55 WeakPolarHBondContact O-CA 3.33Å; P55-D57 PolarHBondContact O-N 3.41Å
56I98Very high97.9Very high53 Ų5353.6 Ų53.627%0.27228%0.28SS..PPolyproline II helixtrans-63.7120.2166.8-58.7177000108.5S2 A3 C5 Q58S2-I56 WeakPolarHBondContact CB-O 3.44Å; S2-I56 PolarHBondContact OG-O 3.09Å; A3-I56 HydrophobicContact CB-CD1 4.2Å; A3-I56 PolarHBondContact O-N 2.86Å; C5-I56 HydrophobicContact CB-CG1 4.1Å; I56-Q58 PolarHBondContact O-N 3.36Å
57D96.9Very high97.9Very high70 Ų7056.9 Ų56.937%0.37430%0.303SS..PPolyproline II helixtrans-65.4128.1172.9173.3-88.1000110.2P55 R59 T60 G61 M62P55-D57 PolarHBondContact O-N 3.41Å; D57-R59 VanDerWaalsContact C-N 3.25Å; D57-R59 PolarHBondContact O-N 3.04Å; D57-R59 WeakPolarHBondContact OD1-CA 3.35Å; D57-R59 WeakPolarHBondContact OD1-CB 3.5Å; D57-R59 PolarHBondContact OD1-N 3.17Å; D57-T60 VanDerWaalsContact CB-OG1 3.32Å; D57-T60 WeakPolarHBondContact CB-OG1 3.41Å; D57-T60 WeakPolarHBondContact OD1-CB 3.45Å; D57-T60 WeakPolarHBondContact OD1-CG2 3.31Å; D57-T60 PolarHBondContact OD1-N 3.29Å; D57-T60 PolarHBondContact OD1-OG1 2.87Å; D57-G61 VanDerWaalsContact O-CA 3.3Å; D57-G61 WeakPolarHBondContact O-CA 3.49Å; D57-G61 PolarHBondContact O-N 3.48Å; D57-M62 WeakPolarHBondContact CB-O 3.49Å; D57-M62 PolarHBondContact N-O 2.91Å
58Q96.7Very high97.9Very high163 Ų16357.8 Ų57.876%0.76231%0.311SS*.THydrogen-bonded Turntrans-70.5-20-172.4-65.9-171.6-3700113.8I56I56-Q58 PolarHBondContact O-N 3.36Å
59R97.3Very high97.8Very high242 Ų24257.8 Ų57.891%0.91331%0.311SS*.THydrogen-bonded Turntrans-90-37.8-177.9-63.8-178.4176.7-164.2-0.8111.5D57D57-R59 VanDerWaalsContact C-N 3.25Å; D57-R59 PolarHBondContact O-N 3.04Å; D57-R59 WeakPolarHBondContact OD1-CA 3.35Å; D57-R59 WeakPolarHBondContact OD1-CB 3.5Å; D57-R59 PolarHBondContact OD1-N 3.17Å
60T96.9Very high97.8Very high82 Ų8261.4 Ų61.450%0.50333%0.327SS..THydrogen-bonded Turntrans-103.8-21.2-172.862.80000113.3D57 M62D57-T60 VanDerWaalsContact CB-OG1 3.32Å; D57-T60 WeakPolarHBondContact CB-OG1 3.41Å; D57-T60 WeakPolarHBondContact OD1-CB 3.45Å; D57-T60 WeakPolarHBondContact OD1-CG2 3.31Å; D57-T60 PolarHBondContact OD1-N 3.29Å; D57-T60 PolarHBondContact OD1-OG1 2.87Å; T60-M62 VanDerWaalsContact C-N 3.27Å; T60-M62 HydrophobicContact CG2-CE 4.2Å; T60-M62 PolarHBondContact O-N 3.45Å; T60-M62 PolarHBondContact OG1-N 2.96Å
61G97.1Very high97.8Very high54 Ų5464.9 Ų64.956%0.55735%0.351SS*.SBendtrans72.816.6-174.700000113.9D57D57-G61 VanDerWaalsContact O-CA 3.3Å; D57-G61 WeakPolarHBondContact O-CA 3.49Å; D57-G61 PolarHBondContact O-N 3.48Å
62M97.7Very high97.8Very high75 Ų7565.7 Ų65.737%0.36936%0.356SS..  trans-120151.9-173.4-62-173.9-76.900112.3D57 T60 N65D57-M62 WeakPolarHBondContact CB-O 3.49Å; D57-M62 PolarHBondContact N-O 2.91Å; T60-M62 VanDerWaalsContact C-N 3.27Å; T60-M62 HydrophobicContact CG2-CE 4.2Å; T60-M62 PolarHBondContact O-N 3.45Å; T60-M62 PolarHBondContact OG1-N 2.96Å; M62-N65 HydrophobicContact SD-CB 4.41Å
63V98Very high97.8Very high26 Ų2665.7 Ų65.716%0.15836%0.356CS..SBendtrans-77.7-45.2162.2174.70000110C5 V52 G54 L121C5-V63 HydrophobicContact CB-CG2 3.67Å; V52-V63 HydrophobicContact CG2-CG1 4.27Å; G54-V63 WeakPolarHBondContact O-CG2 3.39Å; V63-L121 HydrophobicContact CG1-CD2 4.32Å
64M97.9Very high97.8Very high20 Ų2068.5 Ų68.510%0.09937%0.367CS..SBendtrans-154.1151.5175.4-177.5177.4-179.400107.4V52 I66 D68 L69 V117 P118 L121V52-M64 HydrophobicContact CG2-CB 4.4Å; M64-I66 PolarHBondContact O-N 2.88Å; M64-D68 HydrophobicContact CE-CB 3.9Å; M64-L69 HydrophobicContact CE-CB 4.23Å; M64-L69 HydrophobicContact SD-CB 4.09Å; M64-L69 HydrophobicContact SD-CD1 4.41Å; M64-V117 HydrophobicContact SD-CG1 4.35Å; M64-P118 HydrophobicContact CE-CG 3.99Å; M64-P118 HydrophobicContact SD-CG 4.39Å; M64-L121 HydrophobicContact CB-CD1 4.25Å
65N97.8Very high97.8Very high61 Ų6174.8 Ų74.833%0.32639%0.392SS..  trans-65.7122.8169.8-177.1-20.1000109.9M62 S67 D68 L69M62-N65 HydrophobicContact SD-CB 4.41Å; N65-S67 PolarHBondContact O-N 3.33Å; N65-S67 WeakPolarHBondContact OD1-CB 3.33Å; N65-S67 PolarHBondContact OD1-N 3.38Å; N65-D68 HydrophobicContact CB-CB 4.24Å; N65-D68 WeakPolarHBondContact CB-OD2 3.26Å; N65-D68 WeakPolarHBondContact O-CB 3.03Å; N65-D68 PolarHBondContact O-N 3.42Å; N65-D68 VanDerWaalsContact O-N 3.13Å; N65-L69 PolarHBondContact O-N 3.47Å; N65-L69 VanDerWaalsContact O-N 3.12Å
66I96.3Very high97.9Very high71 Ų7173.4 Ų73.436%0.36438%0.379SS..Hα-helixtrans-63.8-29.2-177-167.160.1000112.9L7 R9 M64 L69 K70L7-I66 HydrophobicContact CD1-CD1 4.09Å; L7-I66 HydrophobicContact CD2-CD1 4.06Å; L7-I66 HydrophobicContact CG-CD1 4.11Å; R9-I66 HydrophobicContact CB-CD1 3.95Å; R9-I66 HydrophobicContact CG-CD1 4.4Å; M64-I66 PolarHBondContact O-N 2.88Å; I66-L69 HydrophobicContact CD1-CD2 4.15Å; I66-L69 PolarHBondContact O-N 2.94Å; I66-K70 WeakPolarHBondContact O-CB 3.39Å; I66-K70 PolarHBondContact O-N 3.18Å
67S97.8Very high97.9Very high70 Ų7070.9 Ų70.949%0.4937%0.366SS..Hα-helixtrans-70-34.5176.2-620000112N65 S71N65-S67 PolarHBondContact O-N 3.33Å; N65-S67 WeakPolarHBondContact OD1-CB 3.33Å; N65-S67 PolarHBondContact OD1-N 3.38Å; S67-S71 PolarHBondContact O-N 2.97Å; S67-S71 PolarHBondContact O-OG 2.91Å
68D98.1Very high98Very high85 Ų8568.1 Ų68.146%0.45535%0.351SS..Hα-helixtrans-69.4-43.6174.4-62.9-15.4000109.6M64 N65 K70 S71 V72M64-D68 HydrophobicContact CE-CB 3.9Å; N65-D68 HydrophobicContact CB-CB 4.24Å; N65-D68 WeakPolarHBondContact CB-OD2 3.26Å; N65-D68 WeakPolarHBondContact O-CB 3.03Å; N65-D68 PolarHBondContact O-N 3.42Å; N65-D68 VanDerWaalsContact O-N 3.13Å; D68-K70 VanDerWaalsContact C-N 3.35Å; D68-K70 PolarHBondContact O-N 2.61Å; D68-S71 PolarHBondContact O-N 3.48Å; D68-S71 VanDerWaalsContact O-N 3.13Å; D68-V72 WeakPolarHBondContact O-CG2 3.25Å; D68-V72 PolarHBondContact O-N 3.42Å
69L98.5Very high98.1Very high0 Ų065 Ų650%034%0.339CS..Hα-helixtrans-59.5-45.3175.5-179.757.2000111.4R9 I50 V52 M64 N65 I66 S71 V72 I73 V117R9-L69 HydrophobicContact CB-CD2 3.81Å; R9-L69 HydrophobicContact CB-CG 4.2Å; I50-L69 HydrophobicContact CG2-CD1 4.15Å; V52-L69 HydrophobicContact CG1-CD1 3.97Å; V52-L69 HydrophobicContact CG1-CD2 4.09Å; V52-L69 HydrophobicContact CG2-CD2 4.24Å; M64-L69 HydrophobicContact CE-CB 4.23Å; M64-L69 HydrophobicContact SD-CB 4.09Å; M64-L69 HydrophobicContact SD-CD1 4.41Å; N65-L69 PolarHBondContact O-N 3.47Å; N65-L69 VanDerWaalsContact O-N 3.12Å; I66-L69 HydrophobicContact CD1-CD2 4.15Å; I66-L69 PolarHBondContact O-N 2.94Å; L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 3.33Å; L69-V72 PolarHBondContact O-N 3.13Å; L69-I73 HydrophobicContact CD1-CD1 3.92Å; L69-I73 HydrophobicContact CD1-CG1 4.18Å; L69-I73 HydrophobicContact CG-CD1 3.85Å; L69-I73 VanDerWaalsContact O-CG1 3.26Å; L69-I73 WeakPolarHBondContact O-CG1 3.41Å; L69-I73 PolarHBondContact O-N 2.8Å; L69-V117 HydrophobicContact CD1-CG2 4.4Å
70K98.5Very high98.2Very high104 Ų10456.7 Ų56.745%0.45231%0.313SS..Hα-helixtrans-55-47.7172.9177-176.5176.8-176.10111.6I66 D68 V72 I73 Q74I66-K70 WeakPolarHBondContact O-CB 3.39Å; I66-K70 PolarHBondContact O-N 3.18Å; D68-K70 VanDerWaalsContact C-N 3.35Å; D68-K70 PolarHBondContact O-N 2.61Å; K70-V72 VanDerWaalsContact C-N 3.35Å; K70-V72 PolarHBondContact O-N 3.03Å; K70-I73 PolarHBondContact O-N 3.07Å; K70-Q74 WeakPolarHBondContact O-CB 3.45Å; K70-Q74 PolarHBondContact O-N 3.33Å
71S98.6Very high98.2Very high73 Ų7352.8 Ų52.851%0.5129%0.289SS..Hα-helixtrans-65.7-38.2-177.5-56.90000112.2S67 D68 L69 K75S67-S71 PolarHBondContact O-N 2.97Å; S67-S71 PolarHBondContact O-OG 2.91Å; D68-S71 PolarHBondContact O-N 3.48Å; D68-S71 VanDerWaalsContact O-N 3.13Å; L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 3.33Å; S71-K75 WeakPolarHBondContact O-CB 3.35Å; S71-K75 PolarHBondContact O-N 3.19Å; S71-K75 VanDerWaalsContact O-N 3.09Å
72V98.6Very high98.3Very high24 Ų2452.9 Ų52.915%0.14528%0.277CS..Hα-helixtrans-63.8-48174170.40000110.8D68 L69 K70 Q74 K75 H76 L113 A116 V117D68-V72 WeakPolarHBondContact O-CG2 3.25Å; D68-V72 PolarHBondContact O-N 3.42Å; L69-V72 PolarHBondContact O-N 3.13Å; K70-V72 VanDerWaalsContact C-N 3.35Å; K70-V72 PolarHBondContact O-N 3.03Å; V72-Q74 PolarHBondContact O-N 2.89Å; V72-K75 PolarHBondContact O-N 2.84Å; V72-H76 WeakPolarHBondContact O-CB 3.36Å; V72-H76 PolarHBondContact O-CD2 2.79Å; V72-H76 PolarHBondContact O-N 3.01Å; V72-L113 HydrophobicContact CG1-CD2 3.78Å; V72-A116 HydrophobicContact CG1-CB 3.78Å; V72-V117 HydrophobicContact CG1-CG2 4.14Å
73I98.8Very high98.4Very high0 Ų056.2 Ų56.20%029%0.291CS..Hα-helixtrans-61.9-43.8178.6-64.4164.5000111R9 E11 L48 I50 L69 K70 V77 L78 L113R9-I73 HydrophobicContact CB-CD1 3.97Å; R9-I73 HydrophobicContact CG-CD1 3.89Å; E11-I73 HydrophobicContact CG-CG2 3.91Å; L48-I73 HydrophobicContact CD2-CG2 4.22Å; I50-I73 HydrophobicContact CB-CD1 3.7Å; I50-I73 HydrophobicContact CB-CG1 4.33Å; I50-I73 HydrophobicContact CG1-CD1 3.7Å; I50-I73 HydrophobicContact CG1-CG1 3.97Å; I50-I73 HydrophobicContact CG2-CD1 4.13Å; I50-I73 HydrophobicContact CG2-CG1 4.45Å; L69-I73 HydrophobicContact CD1-CD1 3.92Å; L69-I73 HydrophobicContact CD1-CG1 4.18Å; L69-I73 HydrophobicContact CG-CD1 3.85Å; L69-I73 VanDerWaalsContact O-CG1 3.26Å; L69-I73 WeakPolarHBondContact O-CG1 3.41Å; L69-I73 PolarHBondContact O-N 2.8Å; K70-I73 PolarHBondContact O-N 3.07Å; I73-V77 HydrophobicContact CG2-CB 4.34Å; I73-V77 WeakPolarHBondContact O-CA 3.46Å; I73-V77 VanDerWaalsContact O-CB 3.23Å; I73-V77 WeakPolarHBondContact O-CB 3.29Å; I73-V77 PolarHBondContact O-N 2.91Å; I73-L78 HydrophobicContact CG2-CD1 4.41Å; I73-L78 HydrophobicContact CG2-CG 4.19Å; I73-L78 PolarHBondContact O-N 3.5Å; I73-L78 VanDerWaalsContact O-N 3.09Å; I73-L113 HydrophobicContact CG1-CD2 4.45Å
74Q98.8Very high98.4Very high80 Ų8059 Ų5937%0.37430%0.301SS..Iπ-helixtrans-55.3-57.8176.8-176.86655.300110.9K70 V72 H76 L78 D79K70-Q74 WeakPolarHBondContact O-CB 3.45Å; K70-Q74 PolarHBondContact O-N 3.33Å; V72-Q74 PolarHBondContact O-N 2.89Å; Q74-H76 PolarHBondContact O-N 2.61Å; Q74-L78 PolarHBondContact O-N 3.36Å; Q74-D79 PolarHBondContact NE2-OD1 2.82Å; Q74-D79 VanDerWaalsContact O-CG 3.25Å; Q74-D79 PolarHBondContact O-N 3.09Å
75K98.7Very high98.4Very high136 Ų13660.1 Ų60.159%0.59131%0.307SS*.Iπ-helixtrans-65.7-42.3-174-180-179.7176-174.40113.6S71 V72 D79S71-K75 WeakPolarHBondContact O-CB 3.35Å; S71-K75 PolarHBondContact O-N 3.19Å; S71-K75 VanDerWaalsContact O-N 3.09Å; V72-K75 PolarHBondContact O-N 2.84Å; K75-D79 WeakPolarHBondContact CA-OD2 3.46Å
76H98.7Very high98.5Very high53 Ų5357.2 Ų57.225%0.24529%0.292CS..Iπ-helixtrans-97.1-9.3-169.7-69.5-83.3000113.6V72 Q74 L80 Q112 L113V72-H76 WeakPolarHBondContact O-CB 3.36Å; V72-H76 PolarHBondContact O-CD2 2.79Å; V72-H76 PolarHBondContact O-N 3.01Å; Q74-H76 PolarHBondContact O-N 2.61Å; H76-L80 WeakPolarHBondContact O-CD1 3.33Å; H76-Q112 HydrophobicContact CB-CB 4.32Å; H76-Q112 VanDerWaalsContact O-CB 3.29Å; H76-Q112 WeakPolarHBondContact O-CB 3.21Å; H76-L113 HydrophobicContact CB-CD2 4.29Å
77V98.8Very high98.6Very high0 Ų055.2 Ų55.20%028%0.282CS..Iπ-helixtrans-132.5-61.4-176.6-1750000111.3L48 I73 D79 L80 L81 I109 L113L48-V77 HydrophobicContact CD2-CG1 3.75Å; I73-V77 HydrophobicContact CG2-CB 4.34Å; I73-V77 WeakPolarHBondContact O-CA 3.46Å; I73-V77 VanDerWaalsContact O-CB 3.23Å; I73-V77 WeakPolarHBondContact O-CB 3.29Å; I73-V77 PolarHBondContact O-N 2.91Å; V77-D79 PolarHBondContact O-N 3.49Å; V77-L80 PolarHBondContact O-N 2.81Å; V77-L80 VanDerWaalsContact O-N 3.13Å; V77-L81 HydrophobicContact CG1-CD1 3.74Å; V77-L81 WeakPolarHBondContact O-CB 3.43Å; V77-L81 WeakPolarHBondContact O-CG 3.31Å; V77-L81 PolarHBondContact O-N 2.86Å; V77-I109 HydrophobicContact CG1-CD1 3.83Å; V77-I109 HydrophobicContact CG1-CG1 3.88Å; V77-I109 HydrophobicContact CG1-CG2 4.18Å; V77-I109 HydrophobicContact CG2-CG2 3.92Å; V77-L113 HydrophobicContact CG2-CD1 4.05Å; V77-L113 HydrophobicContact CG2-CD2 3.79Å; V77-L113 HydrophobicContact CG2-CG 3.85Å
78L98.8Very high98.6Very high11 Ų1156.8 Ų56.86%0.05828%0.282CS..Iπ-helixtrans-68.1-40.8-171.5-56.9179.6000112.1E11 F13 I73 Q74 L80 L81 D82E11-L78 HydrophobicContact CB-CD1 4.25Å; E11-L78 HydrophobicContact CB-CD2 4.41Å; E11-L78 HydrophobicContact CG-CD1 4.23Å; F13-L78 HydrophobicContact CB-CD2 3.92Å; F13-L78 HydrophobicContact CD1-CD2 4.12Å; F13-L78 HydrophobicContact CG-CD2 4.34Å; I73-L78 HydrophobicContact CG2-CD1 4.41Å; I73-L78 HydrophobicContact CG2-CG 4.19Å; I73-L78 PolarHBondContact O-N 3.5Å; I73-L78 VanDerWaalsContact O-N 3.09Å; Q74-L78 PolarHBondContact O-N 3.36Å; L78-L80 PolarHBondContact O-N 2.92Å; L78-L80 VanDerWaalsContact O-N 3.1Å; L78-L81 PolarHBondContact O-N 3.41Å; L78-L81 VanDerWaalsContact O-N 3.16Å; L78-D82 WeakPolarHBondContact O-CB 3.14Å; L78-D82 PolarHBondContact O-N 2.83Å
79D98.6Very high98.6Very high97 Ų9757.4 Ų57.452%0.51929%0.285SS..Hα-helixtrans-60.9-22176.1-69.3-6000112.7Q74 K75 V77Q74-D79 PolarHBondContact NE2-OD1 2.82Å; Q74-D79 VanDerWaalsContact O-CG 3.25Å; Q74-D79 PolarHBondContact O-N 3.09Å; K75-D79 WeakPolarHBondContact CA-OD2 3.46Å; V77-D79 PolarHBondContact O-N 3.49Å
80L98.5Very high98.6Very high68 Ų6857.8 Ų57.836%0.35629%0.287SS..Hα-helixtrans-93.7-26.1178.8-56.9-178.5000113.4H76 V77 L78 K84 V90 F108 Q112H76-L80 WeakPolarHBondContact O-CD1 3.33Å; V77-L80 PolarHBondContact O-N 2.81Å; V77-L80 VanDerWaalsContact O-N 3.13Å; L78-L80 PolarHBondContact O-N 2.92Å; L78-L80 VanDerWaalsContact O-N 3.1Å; L80-K84 WeakPolarHBondContact O-CG 3.39Å; L80-V90 WeakPolarHBondContact O-CG2 3.15Å; L80-F108 HydrophobicContact CD1-CZ 4.02Å; L80-Q112 HydrophobicContact CD1-CG 4.38Å
81L98.8Very high98.6Very high0 Ų059.3 Ų59.30%030%0.296CS..Hα-helixtrans-118.6-31.7-167.5-65.7177.8000114.2F13 A15 V77 L78 H83 K84 V90 L105 F108 I109F13-L81 HydrophobicContact CD2-CB 3.9Å; F13-L81 HydrophobicContact CE2-CB 3.92Å; F13-L81 HydrophobicContact CE2-CD1 4.15Å; F13-L81 HydrophobicContact CZ-CD1 4.04Å; A15-L81 WeakPolarHBondContact CB-O 3.36Å; V77-L81 HydrophobicContact CG1-CD1 3.74Å; V77-L81 WeakPolarHBondContact O-CB 3.43Å; V77-L81 WeakPolarHBondContact O-CG 3.31Å; V77-L81 PolarHBondContact O-N 2.86Å; L78-L81 PolarHBondContact O-N 3.41Å; L78-L81 VanDerWaalsContact O-N 3.16Å; L81-H83 PolarHBondContact O-N 3.13Å; L81-K84 WeakPolarHBondContact O-CB 3.22Å; L81-K84 PolarHBondContact O-N 3.49Å; L81-V90 HydrophobicContact CD2-CG2 3.81Å; L81-L105 HydrophobicContact CD1-CD1 3.9Å; L81-L105 HydrophobicContact CD2-CD1 3.95Å; L81-F108 HydrophobicContact CD1-CE1 4.41Å; L81-F108 HydrophobicContact CD2-CD1 4.46Å; L81-F108 HydrophobicContact CD2-CE1 4.01Å; L81-F108 HydrophobicContact CG-CE1 4.32Å; L81-I109 HydrophobicContact CD1-CD1 3.78Å; L81-I109 HydrophobicContact CD1-CG1 3.9Å
82D98.7Very high98.5Very high56 Ų5659.4 Ų59.430%0.29929%0.286SS..THydrogen-bonded Turntrans-72.1131.6-173.2-168.842.2000111.5F13 S14 L78 K84F13-D82 VanDerWaalsContact CA-OD1 3.28Å; F13-D82 WeakPolarHBondContact CA-OD1 3.38Å; F13-D82 HydrophobicContact CB-CB 3.83Å; F13-D82 WeakPolarHBondContact CB-OD1 3.32Å; S14-D82 PolarHBondContact N-OD1 3.2Å; L78-D82 WeakPolarHBondContact O-CB 3.14Å; L78-D82 PolarHBondContact O-N 2.83Å; D82-K84 PolarHBondContact O-N 3.06Å
83H98.6Very high98.5Very high146 Ų14658.4 Ų58.468%0.67628%0.279SS*.THydrogen-bonded Turntrans55.333.4-172.6-63.774.7000113.8S14 L81S14-H83 WeakPolarHBondContact O-CA 3.44Å; S14-H83 PolarHBondContact O-N 3.09Å; L81-H83 PolarHBondContact O-N 3.13Å
84K98.5Very high98.5Very high83 Ų8363.7 Ų63.736%0.36130%0.302SS..EExtended strand (participates in β ladder)trans-112.9158.4178.9-59.1-53.7-178.51790113.3A15 C16 L80 L81 D82 D89A15-K84 WeakPolarHBondContact CA-O 3.47Å; A15-K84 WeakPolarHBondContact CB-O 3.48Å; C16-K84 PolarHBondContact N-O 2.95Å; L80-K84 WeakPolarHBondContact O-CG 3.39Å; L81-K84 WeakPolarHBondContact O-CB 3.22Å; L81-K84 PolarHBondContact O-N 3.49Å; D82-K84 PolarHBondContact O-N 3.06Å; K84-D89 HydrophobicContact CB-CB 4.04Å; K84-D89 HydrophobicContact CD-CB 4.09Å; K84-D89 HydrophobicContact CG-CB 4.37Å
85N98.7Very high98.4Very high44 Ų4466.9 Ų66.924%0.23532%0.315CS..EExtended strand (participates in β ladder)trans-86115.5157.1-177.8-37.6000108.8C16 D87 E88 D89C16-N85 CarbonylContact O-C 3.52Å; C16-N85 WeakPolarHBondContact O-CA 3.37Å; C16-N85 VanDerWaalsContact SG-CA 3.59Å; N85-D87 VanDerWaalsContact C-N 3.29Å; N85-D87 PolarHBondContact O-N 2.93Å; N85-D87 PolarHBondContact OD1-N 2.97Å; N85-E88 HydrophobicContact CB-CB 4.04Å; N85-E88 PolarHBondContact O-N 3.27Å; N85-E88 PolarHBondContact OD1-N 2.89Å; N85-E88 VanDerWaalsContact OD1-N 3.15Å; N85-D89 PolarHBondContact N-OD2 3.21Å; N85-D89 VanDerWaalsContact O-CB 3.31Å; N85-D89 WeakPolarHBondContact O-CB 3.49Å; N85-D89 PolarHBondContact O-N 3.05Å
86I98.8Very high98.3Very high0 Ų064.6 Ų64.60%031%0.309CS..Hα-helixtrans-59.1-42.1-175.8-60.4177.3000110.9A15 C16 H17 Y46 V90 F93 L105A15-I86 HydrophobicContact CB-CD1 4.04Å; A15-I86 HydrophobicContact CB-CG1 3.9Å; C16-I86 PolarHBondContact O-N 3.09Å; H17-I86 HydrophobicContact CB-CB 4.1Å; H17-I86 HydrophobicContact CB-CD1 4.28Å; H17-I86 HydrophobicContact CB-CG1 4.43Å; Y46-I86 HydrophobicContact CE2-CD1 4.41Å; I86-V90 VanDerWaalsContact O-CB 3.28Å; I86-V90 WeakPolarHBondContact O-CB 3.48Å; I86-F93 HydrophobicContact CG2-CB 4.4Å; I86-F93 HydrophobicContact CG2-CD1 4.09Å; I86-F93 HydrophobicContact CG2-CD2 3.47Å; I86-F93 VanDerWaalsContact CG2-CD2 3.47Å; I86-F93 HydrophobicContact CG2-CE1 4.25Å; I86-F93 HydrophobicContact CG2-CE2 3.65Å; I86-F93 HydrophobicContact CG2-CG 3.71Å; I86-F93 HydrophobicContact CG2-CZ 4.05Å; I86-F93 WeakPolarHBondContact O-CB 3.28Å; I86-L105 HydrophobicContact CD1-CD1 4.28Å; I86-L105 HydrophobicContact CD1-CD2 4Å
87D98.4Very high98.2Very high29 Ų2964.7 Ų64.716%0.15532%0.316CS..Hα-helixtrans-74.6-30.4-176.2-52.9-70.1000112.5H17 R18 N85 K94 S100H17-D87 WeakPolarHBondContact CA-OD2 3.23Å; H17-D87 WeakPolarHBondContact CB-OD2 3.41Å; R18-D87 PolarHBondContact N-OD2 3.14Å; N85-D87 VanDerWaalsContact C-N 3.29Å; N85-D87 PolarHBondContact O-N 2.93Å; N85-D87 PolarHBondContact OD1-N 2.97Å; D87-K94 WeakPolarHBondContact O-CA 3.4Å; D87-K94 VanDerWaalsContact O-CB 3.28Å; D87-K94 WeakPolarHBondContact O-CB 3.28Å; D87-S100 VanDerWaalsContact CG-OG 3.32Å; D87-S100 WeakPolarHBondContact OD1-CB 3.39Å; D87-S100 PolarHBondContact OD1-OG 3.32Å; D87-S100 PolarHBondContact OD2-OG 3.39Å
88E98.1Very high98.2Very high104 Ų10466.3 Ų66.349%0.48632%0.324SS..Hα-helixtrans-104-34.6-170.4-68-60.4157.500114.9N85 K94N85-E88 HydrophobicContact CB-CB 4.04Å; N85-E88 PolarHBondContact O-N 3.27Å; N85-E88 PolarHBondContact OD1-N 2.89Å; N85-E88 VanDerWaalsContact OD1-N 3.15Å; E88-K94 WeakPolarHBondContact O-CD 3.46Å; E88-K94 PolarHBondContact O-NZ 3.06Å; E88-K94 IonicContact OE2-NZ 2.82Å; E88-K94 PolarHBondContact OE2-NZ 3.23Å
89D98.5Very high98.2Very high98 Ų9866.8 Ų66.852%0.52433%0.328SS..Hα-helixtrans-99-24.5-174.8-62.9-43.5000112.5K84 N85K84-D89 HydrophobicContact CB-CB 4.04Å; K84-D89 HydrophobicContact CD-CB 4.09Å; K84-D89 HydrophobicContact CG-CB 4.37Å; N85-D89 PolarHBondContact N-OD2 3.21Å; N85-D89 VanDerWaalsContact O-CB 3.31Å; N85-D89 WeakPolarHBondContact O-CB 3.49Å; N85-D89 PolarHBondContact O-N 3.05Å
90V98.4Very high98.2Very high8 Ų862.2 Ų62.25%0.04830%0.303CS..  trans-93.9107.3-177.4-169.90000109.5L80 L81 I86 Y92 F93 K94 F108L80-V90 WeakPolarHBondContact O-CG2 3.15Å; L81-V90 HydrophobicContact CD2-CG2 3.81Å; I86-V90 VanDerWaalsContact O-CB 3.28Å; I86-V90 WeakPolarHBondContact O-CB 3.48Å; V90-Y92 PolarHBondContact O-N 3.21Å; V90-F93 HydrophobicContact CB-CD2 3.96Å; V90-F93 HydrophobicContact CG1-CD2 3.78Å; V90-F93 HydrophobicContact CG1-CE2 4.3Å; V90-F93 PolarHBondContact O-N 3.28Å; V90-K94 PolarHBondContact O-N 3.31Å; V90-K94 VanDerWaalsContact O-N 3.09Å; V90-F108 HydrophobicContact CG1-CE1 4.03Å; V90-F108 HydrophobicContact CG1-CE2 4.29Å; V90-F108 HydrophobicContact CG1-CZ 3.72Å
91E97.9Very high98.2Very high135 Ų13560.1 Ų60.163%0.63129%0.293SS*.Hα-helixtrans-51.6-38.2-173.8-170.8-175.7169.400112.9F93 K94 K95E91-F93 VanDerWaalsContact C-N 3.35Å; E91-F93 PolarHBondContact O-N 3.36Å; E91-K94 PolarHBondContact O-N 3.42Å; E91-K95 HydrophobicContact CG-CB 4.3Å; E91-K95 HydrophobicContact CG-CD 4.31Å; E91-K95 WeakPolarHBondContact O-CB 3.44Å; E91-K95 PolarHBondContact O-N 3.13Å; E91-K95 IonicContact OE1-NZ 2.78Å
92Y98Very high98.2Very high76 Ų7660.3 Ų60.330%0.29829%0.294SS..Hα-helixtrans-57-44.2178.7178.2-98000113V90 N96 I98 F108V90-Y92 PolarHBondContact O-N 3.21Å; Y92-N96 WeakPolarHBondContact O-CB 3.34Å; Y92-N96 PolarHBondContact O-ND2 3.24Å; Y92-I98 HydrophobicContact CD1-CD1 3.94Å; Y92-I98 HydrophobicContact CE1-CD1 3.32Å; Y92-I98 HydrophobicContact CE1-CG2 4.49Å; Y92-I98 HydrophobicContact CE2-CD1 3.98Å; Y92-F108 HydrophobicContact CD1-CB 4.03Å; Y92-F108 AromaticContact CD1-CD2 3.41Å; Y92-F108 HydrophobicContact CD1-CD2 3.41Å; Y92-F108 VanDerWaalsContact CD1-CD2 3.41Å; Y92-F108 HydrophobicContact CD1-CE2 4.17Å; Y92-F108 AromaticContact CD1-CG 3.96Å; Y92-F108 HydrophobicContact CD1-CG 3.96Å; Y92-F108 HydrophobicContact CD2-CD2 4.11Å; Y92-F108 HydrophobicContact CE1-CB 3.95Å; Y92-F108 HydrophobicContact CE1-CD2 4.02Å; Y92-F108 HydrophobicContact CE1-CG 4.37Å; Y92-F108 AromaticContact CG-CD2 3.46Å; Y92-F108 HydrophobicContact CG-CD2 3.46Å; Y92-F108 VanDerWaalsContact CG-CD2 3.46Å; Y92-F108 AromaticContact CG-CE2 3.84Å; Y92-F108 HydrophobicContact CG-CE2 3.84Å; Y92-F108 HydrophobicContact CG-CG 4.43Å
93F98.5Very high98.2Very high2 Ų262.9 Ų62.91%0.00930%0.304CS..Hα-helixtrans-77.4-47.5179.7-70.6-86.6000110.9I86 V90 E91 K95 S97 I98 N104 L105 F108I86-F93 HydrophobicContact CG2-CB 4.4Å; I86-F93 HydrophobicContact CG2-CD1 4.09Å; I86-F93 HydrophobicContact CG2-CD2 3.47Å; I86-F93 VanDerWaalsContact CG2-CD2 3.47Å; I86-F93 HydrophobicContact CG2-CE1 4.25Å; I86-F93 HydrophobicContact CG2-CE2 3.65Å; I86-F93 HydrophobicContact CG2-CG 3.71Å; I86-F93 HydrophobicContact CG2-CZ 4.05Å; I86-F93 WeakPolarHBondContact O-CB 3.28Å; V90-F93 HydrophobicContact CB-CD2 3.96Å; V90-F93 HydrophobicContact CG1-CD2 3.78Å; V90-F93 HydrophobicContact CG1-CE2 4.3Å; V90-F93 PolarHBondContact O-N 3.28Å; E91-F93 VanDerWaalsContact C-N 3.35Å; E91-F93 PolarHBondContact O-N 3.36Å; F93-K95 PolarHBondContact O-N 2.83Å; F93-S97 WeakPolarHBondContact O-CA 3.21Å; F93-S97 PolarHBondContact O-N 3.17Å; F93-I98 HydrophobicContact CD1-CB 4.01Å; F93-I98 HydrophobicContact CD1-CG2 3.86Å; F93-I98 HydrophobicContact CE1-CG2 3.91Å; F93-I98 PolarHBondContact O-N 3.16Å; F93-I98 VanDerWaalsContact O-N 3.16Å; F93-N104 HydrophobicContact CE1-CB 4.04Å; F93-L105 HydrophobicContact CE2-CD1 4.17Å; F93-L105 HydrophobicContact CZ-CD1 4.1Å; F93-F108 HydrophobicContact CE2-CB 3.97Å; F93-F108 AromaticContact CE2-CD1 3.86Å; F93-F108 HydrophobicContact CE2-CD1 3.86Å; F93-F108 HydrophobicContact CE2-CD2 4.38Å; F93-F108 HydrophobicContact CE2-CE1 4.48Å; F93-F108 AromaticContact CE2-CG 3.79Å; F93-F108 HydrophobicContact CE2-CG 3.79Å; F93-F108 HydrophobicContact CZ-CB 3.89Å; F93-F108 HydrophobicContact CZ-CG 4.25Å
94K97.8Very high98.2Very high111 Ų11158.6 Ų58.648%0.48329%0.286SS..Hα-helixtrans-58-53-178.2-169.2-178.6-156.7127.10113.1D87 E88 V90 E91 N96D87-K94 WeakPolarHBondContact O-CA 3.4Å; D87-K94 VanDerWaalsContact O-CB 3.28Å; D87-K94 WeakPolarHBondContact O-CB 3.28Å; E88-K94 WeakPolarHBondContact O-CD 3.46Å; E88-K94 PolarHBondContact O-NZ 3.06Å; E88-K94 IonicContact OE2-NZ 2.82Å; E88-K94 PolarHBondContact OE2-NZ 3.23Å; V90-K94 PolarHBondContact O-N 3.31Å; V90-K94 VanDerWaalsContact O-N 3.09Å; E91-K94 PolarHBondContact O-N 3.42Å; K94-N96 VanDerWaalsContact C-N 3.35Å; K94-N96 PolarHBondContact O-N 3.11Å
95K97.4Very high98.2Very high147 Ų14754.6 Ų54.664%0.63927%0.269SS*.Hα-helixtrans-72-31.4-170.7-175.7178-178.6174.70112.8E91 F93E91-K95 HydrophobicContact CG-CB 4.3Å; E91-K95 HydrophobicContact CG-CD 4.31Å; E91-K95 WeakPolarHBondContact O-CB 3.44Å; E91-K95 PolarHBondContact O-N 3.13Å; E91-K95 IonicContact OE1-NZ 2.78Å; F93-K95 PolarHBondContact O-N 2.83Å
96N96.6Very high98.2Very high88 Ų8852.5 Ų52.547%0.47126%0.258SS..Hα-helixtrans-101.42.5-175.4-57.5-62.9000112.5Y92 K94 I98Y92-N96 WeakPolarHBondContact O-CB 3.34Å; Y92-N96 PolarHBondContact O-ND2 3.24Å; K94-N96 VanDerWaalsContact C-N 3.35Å; K94-N96 PolarHBondContact O-N 3.11Å; N96-I98 HydrophobicContact CB-CD1 3.65Å; N96-I98 HydrophobicContact CB-CG1 3.68Å; N96-I98 PolarHBondContact O-N 2.81Å
97S96.1Very high98.2Very high55 Ų5554.8 Ų54.839%0.38527%0.272SS..THydrogen-bonded Turntrans48.841.4-174.8-55.90000112.7Q22 F93Q22-S97 PolarHBondContact OE1-OG 3.2Å; F93-S97 WeakPolarHBondContact O-CA 3.21Å; F93-S97 PolarHBondContact O-N 3.17Å
98I98Very high98.2Very high35 Ų3553.7 Ų53.718%0.17927%0.266CS..  trans-80.6130-178.8-66.9169.7000108.2Y92 F93 N96 S100 N104Y92-I98 HydrophobicContact CD1-CD1 3.94Å; Y92-I98 HydrophobicContact CE1-CD1 3.32Å; Y92-I98 HydrophobicContact CE1-CG2 4.49Å; Y92-I98 HydrophobicContact CE2-CD1 3.98Å; F93-I98 HydrophobicContact CD1-CB 4.01Å; F93-I98 HydrophobicContact CD1-CG2 3.86Å; F93-I98 HydrophobicContact CE1-CG2 3.91Å; F93-I98 PolarHBondContact O-N 3.16Å; F93-I98 VanDerWaalsContact O-N 3.16Å; N96-I98 HydrophobicContact CB-CD1 3.65Å; N96-I98 HydrophobicContact CB-CG1 3.68Å; N96-I98 PolarHBondContact O-N 2.81Å; I98-S100 PolarHBondContact O-N 2.81Å; I98-N104 HydrophobicContact CG2-CB 3.83Å; I98-N104 WeakPolarHBondContact CG2-ND2 3.45Å
99V98.6Very high98.2Very high21 Ų2148.8 Ų48.813%0.12724%0.243CC..  trans-63.4123.2174.1-1680000108.9L19 F33 T101 N104L19-V99 HydrophobicContact CB-CG1 4.36Å; L19-V99 HydrophobicContact CD2-CG1 4.25Å; F33-V99 HydrophobicContact CE1-CG1 4.32Å; F33-V99 HydrophobicContact CE2-CG1 4.41Å; F33-V99 HydrophobicContact CZ-CG1 3.86Å; V99-T101 HydrophobicContact CB-CG2 4.28Å; V99-T101 HydrophobicContact CG1-CG2 3.71Å; V99-T101 PolarHBondContact O-N 2.7Å; V99-N104 WeakPolarHBondContact O-CB 3.28Å; V99-N104 PolarHBondContact O-ND2 3.47Å
100S98.5Very high98.2Very high0 Ų045.7 Ų45.70%022%0.224CC..  trans-74.838.4-176.951.60000114.5H17 L19 D87 I98H17-S100 WeakPolarHBondContact CB-OG 3.41Å; H17-S100 PolarHBondContact CE1-O 2.95Å; H17-S100 PolarHBondContact ND1-O 3.18Å; L19-S100 VanDerWaalsContact CD2-C 3.49Å; L19-S100 WeakPolarHBondContact CD2-O 3.3Å; D87-S100 VanDerWaalsContact CG-OG 3.32Å; D87-S100 WeakPolarHBondContact OD1-CB 3.39Å; D87-S100 PolarHBondContact OD1-OG 3.32Å; D87-S100 PolarHBondContact OD2-OG 3.39Å; I98-S100 PolarHBondContact O-N 2.81Å
101T98.7Very high98.2Very high25 Ų2547.6 Ų47.615%0.15324%0.238CC..  trans-63.4155.9171.678.70000110.5L19 F33 V99 E103 N104 L105L19-T101 HydrophobicContact CD1-CG2 4.42Å; L19-T101 HydrophobicContact CD2-CG2 3.97Å; F33-T101 HydrophobicContact CE1-CG2 4.5Å; V99-T101 HydrophobicContact CB-CG2 4.28Å; V99-T101 HydrophobicContact CG1-CG2 3.71Å; V99-T101 PolarHBondContact O-N 2.7Å; T101-E103 WeakPolarHBondContact CB-OE2 3.39Å; T101-E103 PolarHBondContact O-N 3.24Å; T101-E103 PolarHBondContact OG1-OE2 2.96Å; T101-N104 PolarHBondContact O-N 3.49Å; T101-N104 VanDerWaalsContact O-N 3.09Å; T101-N104 PolarHBondContact OG1-N 3.04Å; T101-L105 PolarHBondContact O-N 3.37Å
102T98.7Very high98.3Very high3 Ų344 Ų442%0.01822%0.22CC..Hα-helixtrans-62.5-24.5179.6-640000112.1L105 A106 I127 E129 V135T102-L105 PolarHBondContact O-N 2.94Å; T102-A106 WeakPolarHBondContact O-CB 3.06Å; T102-A106 PolarHBondContact O-N 2.73Å; T102-I127 HydrophobicContact CG2-CB 3.77Å; T102-I127 HydrophobicContact CG2-CD1 4.31Å; T102-I127 HydrophobicContact CG2-CG2 3.72Å; T102-E129 HydrophobicContact CG2-CB 4.37Å; T102-E129 PolarHBondContact OG1-OE2 2.79Å; T102-V135 HydrophobicContact CG2-CB 3.76Å; T102-V135 HydrophobicContact CG2-CG2 3.55Å
103E98.7Very high98.3Very high110 Ų11040.3 Ų40.351%0.51421%0.206SC..Hα-helixtrans-62.7-53.4168.5-57.58616700112.6T101 L105 A106 V107 V135T101-E103 WeakPolarHBondContact CB-OE2 3.39Å; T101-E103 PolarHBondContact O-N 3.24Å; T101-E103 PolarHBondContact OG1-OE2 2.96Å; E103-L105 PolarHBondContact O-N 2.98Å; E103-A106 PolarHBondContact O-N 3.05Å; E103-V107 WeakPolarHBondContact O-CG2 3.32Å; E103-V107 PolarHBondContact O-N 2.96Å; E103-V135 HydrophobicContact CB-CG1 4.49Å; E103-V135 HydrophobicContact CG-CG1 4.2Å; E103-V135 HydrophobicContact CG-CG2 4.28Å
104N98.6Very high98.3Very high56 Ų5642.3 Ų42.330%0.29922%0.218SC..Hα-helixtrans-65.6-30.9177.3-78.4-29.8000111.8F93 I98 V99 T101 V107 F108F93-N104 HydrophobicContact CE1-CB 4.04Å; I98-N104 HydrophobicContact CG2-CB 3.83Å; I98-N104 WeakPolarHBondContact CG2-ND2 3.45Å; V99-N104 WeakPolarHBondContact O-CB 3.28Å; V99-N104 PolarHBondContact O-ND2 3.47Å; T101-N104 PolarHBondContact O-N 3.49Å; T101-N104 VanDerWaalsContact O-N 3.09Å; T101-N104 PolarHBondContact OG1-N 3.04Å; N104-V107 PolarHBondContact O-N 3.45Å; N104-F108 WeakPolarHBondContact O-CB 3.13Å; N104-F108 PolarHBondContact O-N 2.59Å
105L98.8Very high98.2Very high0 Ų044.1 Ų44.10%023%0.233CC..Hα-helixtrans-64.1-43.8171.7-169.459.4000112.2F13 Y46 L81 I86 F93 T101 T102 E103 V107 F108 I109 I127F13-L105 HydrophobicContact CZ-CD2 4.11Å; Y46-L105 HydrophobicContact CD1-CD2 4.49Å; Y46-L105 HydrophobicContact CE1-CD2 4.09Å; L81-L105 HydrophobicContact CD1-CD1 3.9Å; L81-L105 HydrophobicContact CD2-CD1 3.95Å; I86-L105 HydrophobicContact CD1-CD1 4.28Å; I86-L105 HydrophobicContact CD1-CD2 4Å; F93-L105 HydrophobicContact CE2-CD1 4.17Å; F93-L105 HydrophobicContact CZ-CD1 4.1Å; T101-L105 PolarHBondContact O-N 3.37Å; T102-L105 PolarHBondContact O-N 2.94Å; E103-L105 PolarHBondContact O-N 2.98Å; L105-V107 VanDerWaalsContact C-N 3.35Å; L105-V107 PolarHBondContact O-N 3Å; L105-F108 HydrophobicContact CD1-CD1 4.26Å; L105-F108 PolarHBondContact O-N 2.72Å; L105-I109 HydrophobicContact CD1-CD1 4.45Å; L105-I109 HydrophobicContact CG-CD1 4.2Å; L105-I109 WeakPolarHBondContact O-CB 3.46Å; L105-I109 VanDerWaalsContact O-CG1 3.31Å; L105-I109 WeakPolarHBondContact O-CG1 3.43Å; L105-I109 PolarHBondContact O-N 3.35Å; L105-I127 HydrophobicContact CB-CD1 4.11Å; L105-I127 HydrophobicContact CD2-CD1 4.15Å; L105-I127 HydrophobicContact CG-CD1 3.86Å
106A98.9Very high98.3Very high0 Ų038.5 Ų38.50%021%0.214CC..Hα-helixtrans-62.7-40.9175.500000112.2T102 E103 W110 V125 I127 V135T102-A106 WeakPolarHBondContact O-CB 3.06Å; T102-A106 PolarHBondContact O-N 2.73Å; E103-A106 PolarHBondContact O-N 3.05Å; A106-W110 WeakPolarHBondContact O-CB 3.46Å; A106-W110 PolarHBondContact O-N 3.25Å; A106-V125 HydrophobicContact CB-CG1 4.26Å; A106-I127 HydrophobicContact CB-CD1 3.87Å; A106-I127 HydrophobicContact CB-CG1 4.41Å; A106-V135 HydrophobicContact CB-CG1 3.83Å
107V98.6Very high98.3Very high48 Ų4834.5 Ų34.529%0.29119%0.193SC..Hα-helixtrans-65-43.1174.7175.70000111.4E103 N104 L105 W110 S111 Y137E103-V107 WeakPolarHBondContact O-CG2 3.32Å; E103-V107 PolarHBondContact O-N 2.96Å; N104-V107 PolarHBondContact O-N 3.45Å; L105-V107 VanDerWaalsContact C-N 3.35Å; L105-V107 PolarHBondContact O-N 3Å; V107-W110 PolarHBondContact O-N 2.96Å; V107-S111 PolarHBondContact O-N 3.31Å; V107-Y137 HydrophobicContact CB-CD1 4.44Å; V107-Y137 HydrophobicContact CB-CE1 4.24Å; V107-Y137 HydrophobicContact CG1-CE1 4.31Å; V107-Y137 HydrophobicContact CG2-CD1 4.03Å; V107-Y137 HydrophobicContact CG2-CD2 4.34Å; V107-Y137 HydrophobicContact CG2-CE1 3.92Å; V107-Y137 HydrophobicContact CG2-CE2 4.24Å; V107-Y137 HydrophobicContact CG2-CG 4.24Å
108F98.7Very high98.3Very high6 Ų634.5 Ų34.53%0.02619%0.192CC..Hα-helixtrans-59.7-53.4175.4169.7-108.9000111.2L80 L81 V90 Y92 F93 N104 L105 W110 S111 Q112L80-F108 HydrophobicContact CD1-CZ 4.02Å; L81-F108 HydrophobicContact CD1-CE1 4.41Å; L81-F108 HydrophobicContact CD2-CD1 4.46Å; L81-F108 HydrophobicContact CD2-CE1 4.01Å; L81-F108 HydrophobicContact CG-CE1 4.32Å; V90-F108 HydrophobicContact CG1-CE1 4.03Å; V90-F108 HydrophobicContact CG1-CE2 4.29Å; V90-F108 HydrophobicContact CG1-CZ 3.72Å; Y92-F108 HydrophobicContact CD1-CB 4.03Å; Y92-F108 AromaticContact CD1-CD2 3.41Å; Y92-F108 HydrophobicContact CD1-CD2 3.41Å; Y92-F108 VanDerWaalsContact CD1-CD2 3.41Å; Y92-F108 HydrophobicContact CD1-CE2 4.17Å; Y92-F108 AromaticContact CD1-CG 3.96Å; Y92-F108 HydrophobicContact CD1-CG 3.96Å; Y92-F108 HydrophobicContact CD2-CD2 4.11Å; Y92-F108 HydrophobicContact CE1-CB 3.95Å; Y92-F108 HydrophobicContact CE1-CD2 4.02Å; Y92-F108 HydrophobicContact CE1-CG 4.37Å; Y92-F108 AromaticContact CG-CD2 3.46Å; Y92-F108 HydrophobicContact CG-CD2 3.46Å; Y92-F108 VanDerWaalsContact CG-CD2 3.46Å; Y92-F108 AromaticContact CG-CE2 3.84Å; Y92-F108 HydrophobicContact CG-CE2 3.84Å; Y92-F108 HydrophobicContact CG-CG 4.43Å; F93-F108 HydrophobicContact CE2-CB 3.97Å; F93-F108 AromaticContact CE2-CD1 3.86Å; F93-F108 HydrophobicContact CE2-CD1 3.86Å; F93-F108 HydrophobicContact CE2-CD2 4.38Å; F93-F108 HydrophobicContact CE2-CE1 4.48Å; F93-F108 AromaticContact CE2-CG 3.79Å; F93-F108 HydrophobicContact CE2-CG 3.79Å; F93-F108 HydrophobicContact CZ-CB 3.89Å; F93-F108 HydrophobicContact CZ-CG 4.25Å; N104-F108 WeakPolarHBondContact O-CB 3.13Å; N104-F108 PolarHBondContact O-N 2.59Å; L105-F108 HydrophobicContact CD1-CD1 4.26Å; L105-F108 PolarHBondContact O-N 2.72Å; F108-W110 VanDerWaalsContact C-N 3.29Å; F108-W110 PolarHBondContact O-N 2.99Å; F108-S111 WeakPolarHBondContact O-CA 3.5Å; F108-S111 WeakPolarHBondContact O-CB 3.33Å; F108-S111 PolarHBondContact O-N 3.1Å; F108-S111 PolarHBondContact O-OG 3.29Å; F108-Q112 HydrophobicContact CD2-CG 4.31Å; F108-Q112 HydrophobicContact CE1-CG 4.17Å; F108-Q112 HydrophobicContact CE2-CG 3.84Å; F108-Q112 HydrophobicContact CZ-CG 3.77Å; F108-Q112 WeakPolarHBondContact O-CG 3.35Å; F108-Q112 PolarHBondContact O-N 2.95Å; F108-Q112 VanDerWaalsContact O-N 3.09Å
109I98.9Very high98Very high0 Ų039.5 Ų39.50%022%0.219CC..Hα-helixtrans-58.5-42.7179.5-69.4179.3000111L48 I50 V77 L81 L105 S111 Q112 L113 V125 I127L48-I109 HydrophobicContact CD1-CD1 3.91Å; L48-I109 HydrophobicContact CD1-CG2 4.39Å; L48-I109 HydrophobicContact CD2-CD1 4.34Å; I50-I109 HydrophobicContact CD1-CG2 4.11Å; V77-I109 HydrophobicContact CG1-CD1 3.83Å; V77-I109 HydrophobicContact CG1-CG1 3.88Å; V77-I109 HydrophobicContact CG1-CG2 4.18Å; V77-I109 HydrophobicContact CG2-CG2 3.92Å; L81-I109 HydrophobicContact CD1-CD1 3.78Å; L81-I109 HydrophobicContact CD1-CG1 3.9Å; L105-I109 HydrophobicContact CD1-CD1 4.45Å; L105-I109 HydrophobicContact CG-CD1 4.2Å; L105-I109 WeakPolarHBondContact O-CB 3.46Å; L105-I109 VanDerWaalsContact O-CG1 3.31Å; L105-I109 WeakPolarHBondContact O-CG1 3.43Å; L105-I109 PolarHBondContact O-N 3.35Å; I109-S111 VanDerWaalsContact C-N 3.32Å; I109-S111 PolarHBondContact O-N 2.76Å; I109-Q112 PolarHBondContact O-N 3.35Å; I109-L113 HydrophobicContact CG2-CD1 3.75Å; I109-L113 HydrophobicContact CG2-CG 4.39Å; I109-L113 WeakPolarHBondContact O-CG 3.47Å; I109-L113 PolarHBondContact O-N 2.99Å; I109-L113 VanDerWaalsContact O-N 3.09Å; I109-V125 HydrophobicContact CB-CG1 4.1Å; I109-V125 HydrophobicContact CG2-CG1 3.79Å; I109-V125 HydrophobicContact CG2-CG2 3.96Å; I109-I127 HydrophobicContact CD1-CD1 3.78Å; I109-I127 HydrophobicContact CD1-CG1 4.48Å
110W98.8Very high97.9Very high34 Ų3445.3 Ų45.313%0.12925%0.249CC..Hα-helixtrans-57.2-45.9173.9178.4-82.3000112A106 V107 F108 Q112 L113 V114 L122 V125 Y137 R138A106-W110 WeakPolarHBondContact O-CB 3.46Å; A106-W110 PolarHBondContact O-N 3.25Å; V107-W110 PolarHBondContact O-N 2.96Å; F108-W110 VanDerWaalsContact C-N 3.29Å; F108-W110 PolarHBondContact O-N 2.99Å; W110-Q112 PolarHBondContact O-N 3.34Å; W110-L113 PolarHBondContact O-N 2.8Å; W110-L113 VanDerWaalsContact O-N 3.14Å; W110-V114 HydrophobicContact CZ2-CG2 4.29Å; W110-V114 WeakPolarHBondContact O-CB 3.47Å; W110-V114 PolarHBondContact O-N 3.16Å; W110-L122 HydrophobicContact CD2-CD2 3.79Å; W110-L122 HydrophobicContact CE3-CD2 3.67Å; W110-L122 HydrophobicContact CE3-CG 4.02Å; W110-L122 HydrophobicContact CG-CD2 4.42Å; W110-L122 HydrophobicContact CH2-CB 4.5Å; W110-L122 HydrophobicContact CH2-CD2 4.05Å; W110-L122 HydrophobicContact CH2-CG 3.92Å; W110-L122 HydrophobicContact CZ2-CD2 4.18Å; W110-L122 HydrophobicContact CZ2-CG 4.48Å; W110-L122 HydrophobicContact CZ3-CD2 3.79Å; W110-L122 HydrophobicContact CZ3-CG 3.66Å; W110-V125 HydrophobicContact CB-CG2 4.1Å; W110-V125 HydrophobicContact CE3-CG2 3.94Å; W110-Y137 HydrophobicContact CB-CD1 3.5Å; W110-Y137 VanDerWaalsContact CB-CD1 3.5Å; W110-Y137 HydrophobicContact CB-CE1 3.64Å; W110-Y137 AromaticContact CD1-CE1 3.72Å; W110-Y137 HydrophobicContact CD2-CD1 4.1Å; W110-Y137 HydrophobicContact CD2-CE1 4.09Å; W110-Y137 HydrophobicContact CE3-CD1 4.38Å; W110-Y137 AromaticContact CG-CD1 3.69Å; W110-Y137 HydrophobicContact CG-CD1 3.69Å; W110-Y137 AromaticContact CG-CE1 3.5Å; W110-Y137 HydrophobicContact CG-CE1 3.5Å; W110-R138 VanDerWaalsContact CH2-O 3.25Å; W110-R138 WeakPolarHBondContact CH2-O 3.31Å; W110-R138 VanDerWaalsContact CZ3-C 3.47Å
111S98.1Very high97.9Very high48 Ų4846.2 Ų46.234%0.33625%0.254SS..Hα-helixtrans-61.3-32.6179790000113.2V107 F108 I109V107-S111 PolarHBondContact O-N 3.31Å; F108-S111 WeakPolarHBondContact O-CA 3.5Å; F108-S111 WeakPolarHBondContact O-CB 3.33Å; F108-S111 PolarHBondContact O-N 3.1Å; F108-S111 PolarHBondContact O-OG 3.29Å; I109-S111 VanDerWaalsContact C-N 3.32Å; I109-S111 PolarHBondContact O-N 2.76Å
112Q98.6Very high97.9Very high58 Ų5845.8 Ų45.827%0.27125%0.25SS..Hα-helixtrans-74.9-31.6176.8-60-49-60.100112.5H76 L80 F108 I109 W110H76-Q112 HydrophobicContact CB-CB 4.32Å; H76-Q112 VanDerWaalsContact O-CB 3.29Å; H76-Q112 WeakPolarHBondContact O-CB 3.21Å; L80-Q112 HydrophobicContact CD1-CG 4.38Å; F108-Q112 HydrophobicContact CD2-CG 4.31Å; F108-Q112 HydrophobicContact CE1-CG 4.17Å; F108-Q112 HydrophobicContact CE2-CG 3.84Å; F108-Q112 HydrophobicContact CZ-CG 3.77Å; F108-Q112 WeakPolarHBondContact O-CG 3.35Å; F108-Q112 PolarHBondContact O-N 2.95Å; F108-Q112 VanDerWaalsContact O-N 3.09Å; I109-Q112 PolarHBondContact O-N 3.35Å; W110-Q112 PolarHBondContact O-N 3.34Å
113L98.7Very high97.9Very high0 Ų049.1 Ų49.10%026%0.263CS..Hα-helixtrans-94-30.8-173.8-68177.4000114.1I50 V72 I73 H76 V77 I109 W110 N115 A116 V117 L122 V125I50-L113 HydrophobicContact CD1-CD1 3.52Å; I50-L113 HydrophobicContact CG1-CD1 3.94Å; I50-L113 HydrophobicContact CG2-CD1 4.05Å; V72-L113 HydrophobicContact CG1-CD2 3.78Å; I73-L113 HydrophobicContact CG1-CD2 4.45Å; H76-L113 HydrophobicContact CB-CD2 4.29Å; V77-L113 HydrophobicContact CG2-CD1 4.05Å; V77-L113 HydrophobicContact CG2-CD2 3.79Å; V77-L113 HydrophobicContact CG2-CG 3.85Å; I109-L113 HydrophobicContact CG2-CD1 3.75Å; I109-L113 HydrophobicContact CG2-CG 4.39Å; I109-L113 WeakPolarHBondContact O-CG 3.47Å; I109-L113 PolarHBondContact O-N 2.99Å; I109-L113 VanDerWaalsContact O-N 3.09Å; W110-L113 PolarHBondContact O-N 2.8Å; W110-L113 VanDerWaalsContact O-N 3.14Å; L113-N115 PolarHBondContact O-N 2.96Å; L113-N115 VanDerWaalsContact O-N 3.13Å; L113-A116 PolarHBondContact O-N 2.86Å; L113-V117 HydrophobicContact CB-CG2 4.3Å; L113-V117 WeakPolarHBondContact O-CG2 3.12Å; L113-V117 PolarHBondContact O-N 2.82Å; L113-L122 HydrophobicContact CB-CD1 4.29Å; L113-L122 HydrophobicContact CB-CD2 3.7Å; L113-L122 HydrophobicContact CD1-CD1 4.4Å; L113-V125 HydrophobicContact CD1-CG2 4.45Å
114V98Very high97.9Very high43 Ų4344.4 Ų44.426%0.26124%0.241SC..THydrogen-bonded Turntrans-58.5-33.8-169.1680000113.5W110 L122W110-V114 HydrophobicContact CZ2-CG2 4.29Å; W110-V114 WeakPolarHBondContact O-CB 3.47Å; W110-V114 PolarHBondContact O-N 3.16Å; V114-L122 HydrophobicContact CB-CD2 4.1Å
115N96.8Very high97.9Very high150 Ų15041.8 Ų41.880%0.80223%0.227SC*.THydrogen-bonded Turntrans-96.9-13.5176.7-64.3-42.4000113.4L113L113-N115 PolarHBondContact O-N 2.96Å; L113-N115 VanDerWaalsContact O-N 3.13Å
116A98.1Very high97.9Very high28 Ų2843.9 Ų43.923%0.23124%0.236CC..THydrogen-bonded Turntrans-92.4-29.2-178.800000112.3V72 L113V72-A116 HydrophobicContact CG1-CB 3.78Å; L113-A116 PolarHBondContact O-N 2.86Å
117V98.1Very high97.9Very high4 Ų443.9 Ų43.92%0.02424%0.236CC..SBendtrans-79.6122.8170.7176.20000108.4V52 M64 L69 V72 L113 L121 L122V52-V117 HydrophobicContact CG1-CG1 3.89Å; M64-V117 HydrophobicContact SD-CG1 4.35Å; L69-V117 HydrophobicContact CD1-CG2 4.4Å; V72-V117 HydrophobicContact CG1-CG2 4.14Å; L113-V117 HydrophobicContact CB-CG2 4.3Å; L113-V117 WeakPolarHBondContact O-CG2 3.12Å; L113-V117 PolarHBondContact O-N 2.82Å; V117-L121 HydrophobicContact CG1-CB 3.96Å; V117-L122 HydrophobicContact CB-CB 4.17Å; V117-L122 HydrophobicContact CG1-CB 4.22Å; V117-L122 HydrophobicContact CG2-CB 4.44Å; V117-L122 HydrophobicContact CG2-CD1 4.43Å
118P94.6Very high97.9Very high56 Ų5644.7 Ų44.736%0.36423%0.234SC..G310 helixtrans-68.9162-173.528.4-35.5000112.6M64 N120 L121M64-P118 HydrophobicContact CE-CG 3.99Å; M64-P118 HydrophobicContact SD-CG 4.39Å; P118-N120 PolarHBondContact O-N 3.33Å; P118-N120 VanDerWaalsContact O-N 3.08Å; P118-L121 WeakPolarHBondContact O-CB 3.32Å; P118-L121 VanDerWaalsContact O-CG 3.23Å; P118-L121 WeakPolarHBondContact O-CG 3.42Å; P118-L121 PolarHBondContact O-N 3.28Å; P118-L121 VanDerWaalsContact O-N 3.08Å
119N93.5Very high97.9Very high139 Ų13945.9 Ų45.974%0.74324%0.24SC*.G310 helixtrans56.325.4168.9-53.3-40.5000115.4L121N119-L121 HydrophobicContact CB-CD1 4.34Å; N119-L121 HydrophobicContact CB-CG 4.01Å; N119-L121 PolarHBondContact O-N 2.97Å
120N95.6Very high97.9Very high144 Ų14448.3 Ų48.377%0.7726%0.255SS*.G310 helixtrans54.432.6-174.6-54.6-45000112.9P118 L122P118-N120 PolarHBondContact O-N 3.33Å; P118-N120 VanDerWaalsContact O-N 3.08Å; N120-L122 VanDerWaalsContact C-N 3.28Å; N120-L122 PolarHBondContact O-N 2.86Å
121L98Very high97.8Very high19 Ų1955.2 Ų55.210%0.09929%0.288CS..  trans-74.9-16.5-178.1-64.5170.6000112.9V52 S53 V63 M64 V117 P118 N119 Y123V52-L121 CarbonylContact C-O 3.59Å; V52-L121 WeakPolarHBondContact CA-O 3.31Å; V52-L121 HydrophobicContact CB-CB 4.12Å; V52-L121 WeakPolarHBondContact CB-O 3.46Å; S53-L121 PolarHBondContact N-O 3.46Å; S53-L121 WeakPolarHBondContact O-CD2 3.39Å; V63-L121 HydrophobicContact CG1-CD2 4.32Å; M64-L121 HydrophobicContact CB-CD1 4.25Å; V117-L121 HydrophobicContact CG1-CB 3.96Å; P118-L121 WeakPolarHBondContact O-CB 3.32Å; P118-L121 VanDerWaalsContact O-CG 3.23Å; P118-L121 WeakPolarHBondContact O-CG 3.42Å; P118-L121 PolarHBondContact O-N 3.28Å; P118-L121 VanDerWaalsContact O-N 3.08Å; N119-L121 HydrophobicContact CB-CD1 4.34Å; N119-L121 HydrophobicContact CB-CG 4.01Å; N119-L121 PolarHBondContact O-N 2.97Å; L121-Y123 PolarHBondContact O-N 2.73Å
122L98.7Very high97.8Very high15 Ų1561.9 Ų61.98%0.07931%0.311CS..EExtended strand (participates in β ladder)trans-61.2124.4-179.5-177.267.1000110.4I50 W110 L113 V114 V117 N120I50-L122 HydrophobicContact CG2-CD1 3.87Å; W110-L122 HydrophobicContact CD2-CD2 3.79Å; W110-L122 HydrophobicContact CE3-CD2 3.67Å; W110-L122 HydrophobicContact CE3-CG 4.02Å; W110-L122 HydrophobicContact CG-CD2 4.42Å; W110-L122 HydrophobicContact CH2-CB 4.5Å; W110-L122 HydrophobicContact CH2-CD2 4.05Å; W110-L122 HydrophobicContact CH2-CG 3.92Å; W110-L122 HydrophobicContact CZ2-CD2 4.18Å; W110-L122 HydrophobicContact CZ2-CG 4.48Å; W110-L122 HydrophobicContact CZ3-CD2 3.79Å; W110-L122 HydrophobicContact CZ3-CG 3.66Å; L113-L122 HydrophobicContact CB-CD1 4.29Å; L113-L122 HydrophobicContact CB-CD2 3.7Å; L113-L122 HydrophobicContact CD1-CD1 4.4Å; V114-L122 HydrophobicContact CB-CD2 4.1Å; V117-L122 HydrophobicContact CB-CB 4.17Å; V117-L122 HydrophobicContact CG1-CB 4.22Å; V117-L122 HydrophobicContact CG2-CB 4.44Å; V117-L122 HydrophobicContact CG2-CD1 4.43Å; N120-L122 VanDerWaalsContact C-N 3.28Å; N120-L122 PolarHBondContact O-N 2.86Å
123Y98.6Very high97.8Very high74 Ų7463.2 Ų63.229%0.2932%0.32SS..EExtended strand (participates in β ladder)trans-116.5-44.7-174.5174.9-101.2000113.1Y6 T51 L121 R138Y6-Y123 AromaticContact CD1-CD1 3.77Å; Y6-Y123 HydrophobicContact CD1-CD1 3.77Å; Y6-Y123 AromaticContact CD1-CE1 3.9Å; Y6-Y123 HydrophobicContact CD1-CE1 3.9Å; Y6-Y123 HydrophobicContact CD1-CG 4.1Å; Y6-Y123 AromaticContact CE1-CD1 3.83Å; Y6-Y123 HydrophobicContact CE1-CD1 3.83Å; Y6-Y123 AromaticContact CE1-CD2 3.91Å; Y6-Y123 HydrophobicContact CE1-CD2 3.91Å; Y6-Y123 AromaticContact CE1-CE1 3.68Å; Y6-Y123 HydrophobicContact CE1-CE1 3.68Å; Y6-Y123 AromaticContact CE1-CE2 3.76Å; Y6-Y123 HydrophobicContact CE1-CE2 3.76Å; Y6-Y123 AromaticContact CE1-CG 3.95Å; Y6-Y123 HydrophobicContact CE1-CG 3.95Å; Y6-Y123 AromaticContact CE1-CZ 3.64Å; T51-Y123 HydrophobicContact CG2-CD1 3.89Å; T51-Y123 WeakPolarHBondContact O-CA 3.33Å; T51-Y123 WeakPolarHBondContact O-CB 3.22Å; T51-Y123 PolarHBondContact O-N 2.78Å; L121-Y123 PolarHBondContact O-N 2.73Å; Y123-R138 VanDerWaalsContact O-CB 3.27Å; Y123-R138 WeakPolarHBondContact O-CB 3.26Å; Y123-R138 WeakPolarHBondContact O-CG 3.48Å
124E98.8Very high97.8Very high11 Ų1166.9 Ų66.95%0.05134%0.339CS..EExtended strand (participates in β ladder)trans-149.9135-176.5-176.5177.598.100111.2T51 K126 R138T51-E124 PolarHBondContact N-O 3.04Å; T51-E124 PolarHBondContact O-N 2.93Å; T51-E124 VanDerWaalsContact O-N 3.11Å; E124-K126 HydrophobicContact CG-CB 4.45Å; E124-K126 WeakPolarHBondContact OE1-CE 3.13Å; E124-K126 IonicContact OE1-NZ 2.71Å; E124-K126 PolarHBondContact OE1-NZ 3.5Å; E124-R138 HydrophobicContact CB-CG 4.1Å; E124-R138 HydrophobicContact CG-CG 4.09Å; E124-R138 IonicContact OE2-CZ 3.24Å; E124-R138 VanDerWaalsContact OE2-CZ 3.24Å; E124-R138 IonicContact OE2-NE 2.85Å; E124-R138 PolarHBondContact OE2-NE 2.9Å; E124-R138 IonicContact OE2-NH2 2.75Å; E124-R138 PolarHBondContact OE2-NH2 2.78Å
125V98.9Very high97.8Very high0 Ų066 Ų660%033%0.334CS..EExtended strand (participates in β ladder)trans-101.8120.2160.5173.40000107.1L48 I50 A106 I109 W110 L113 I127 T136 Y137L48-V125 HydrophobicContact CD1-CG1 4.14Å; I50-V125 HydrophobicContact CD1-CB 4.34Å; I50-V125 HydrophobicContact CD1-CG1 4.23Å; I50-V125 HydrophobicContact CD1-CG2 3.88Å; A106-V125 HydrophobicContact CB-CG1 4.26Å; I109-V125 HydrophobicContact CB-CG1 4.1Å; I109-V125 HydrophobicContact CG2-CG1 3.79Å; I109-V125 HydrophobicContact CG2-CG2 3.96Å; W110-V125 HydrophobicContact CB-CG2 4.1Å; W110-V125 HydrophobicContact CE3-CG2 3.94Å; L113-V125 HydrophobicContact CD1-CG2 4.45Å; V125-I127 HydrophobicContact CG1-CD1 4.37Å; V125-I127 HydrophobicContact CG1-CG1 4.06Å; V125-T136 CarbonylContact O-C 3.58Å; V125-T136 WeakPolarHBondContact O-CA 3.32Å; V125-Y137 PolarHBondContact N-O 2.84Å; V125-Y137 PolarHBondContact O-N 2.83Å
126K98.9Very high97.9Very high45 Ų4562.5 Ų62.520%0.19632%0.318CS..EExtended strand (participates in β ladder)trans-121.4126.2173.1173.5-175.9-64.9120.50109.5E49 E124 I134 V135 T136E49-K126 HydrophobicContact CB-CB 4.11Å; E49-K126 PolarHBondContact N-O 2.9Å; E49-K126 PolarHBondContact O-N 3.48Å; E49-K126 WeakPolarHBondContact OE2-CD 3.46Å; E49-K126 IonicContact OE2-NZ 3.77Å; E124-K126 HydrophobicContact CG-CB 4.45Å; E124-K126 WeakPolarHBondContact OE1-CE 3.13Å; E124-K126 IonicContact OE1-NZ 2.71Å; E124-K126 PolarHBondContact OE1-NZ 3.5Å; K126-I134 HydrophobicContact CD-CG2 4.12Å; K126-I134 HydrophobicContact CG-CG2 3.79Å; K126-V135 CarbonylContact C-O 3.41Å; K126-V135 WeakPolarHBondContact CA-O 3.28Å; K126-T136 HydrophobicContact CB-CG2 3.95Å; K126-T136 HydrophobicContact CD-CG2 4.27Å; K126-T136 HydrophobicContact CG-CG2 3.83Å
127I98.9Very high97.9Very high0 Ų062.9 Ų62.90%031%0.314CS..EExtended strand (participates in β ladder)trans-119127.2-179.6-50.5179.2000108.6Y46 L48 T102 L105 A106 I109 V125 I134 V135Y46-I127 HydrophobicContact CD1-CG2 3.67Å; Y46-I127 HydrophobicContact CE1-CG2 4.4Å; Y46-I127 HydrophobicContact CG-CG2 4.48Å; L48-I127 HydrophobicContact CD1-CG1 3.86Å; T102-I127 HydrophobicContact CG2-CB 3.77Å; T102-I127 HydrophobicContact CG2-CD1 4.31Å; T102-I127 HydrophobicContact CG2-CG2 3.72Å; L105-I127 HydrophobicContact CB-CD1 4.11Å; L105-I127 HydrophobicContact CD2-CD1 4.15Å; L105-I127 HydrophobicContact CG-CD1 3.86Å; A106-I127 HydrophobicContact CB-CD1 3.87Å; A106-I127 HydrophobicContact CB-CG1 4.41Å; I109-I127 HydrophobicContact CD1-CD1 3.78Å; I109-I127 HydrophobicContact CD1-CG1 4.48Å; V125-I127 HydrophobicContact CG1-CD1 4.37Å; V125-I127 HydrophobicContact CG1-CG1 4.06Å; I127-I134 WeakPolarHBondContact O-CA 3.35Å; I127-V135 PolarHBondContact N-O 3.15Å; I127-V135 PolarHBondContact O-N 3.23Å
128W98.8Very high97.9Very high64 Ų6467.8 Ų67.824%0.24233%0.332CS..EExtended strand (participates in β ladder)trans-99.9105.1167.1-58.368.6000107Y46 K47 E49 I134Y46-W128 WeakPolarHBondContact CA-O 3.42Å; K47-W128 HydrophobicContact CB-CB 4.05Å; K47-W128 HydrophobicContact CB-CG 4.4Å; K47-W128 PolarHBondContact N-O 3.39Å; K47-W128 VanDerWaalsContact NZ-NE1 3.19Å; K47-W128 PolarHBondContact O-N 3.47Å; E49-W128 PolarHBondContact OE1-NE1 3.26Å; W128-I134 HydrophobicContact CD2-CD1 3.89Å; W128-I134 HydrophobicContact CD2-CG1 3.74Å; W128-I134 HydrophobicContact CD2-CG2 4.15Å; W128-I134 HydrophobicContact CE3-CD1 3.46Å; W128-I134 VanDerWaalsContact CE3-CD1 3.46Å; W128-I134 HydrophobicContact CE3-CG1 3.47Å; W128-I134 VanDerWaalsContact CE3-CG1 3.47Å; W128-I134 HydrophobicContact CG-CG1 4.36Å; W128-I134 HydrophobicContact CG-CG2 4.28Å; W128-I134 HydrophobicContact CH2-CD1 3.39Å; W128-I134 HydrophobicContact CH2-CG1 4.31Å; W128-I134 HydrophobicContact CZ2-CD1 3.82Å; W128-I134 HydrophobicContact CZ3-CD1 3.2Å; W128-I134 HydrophobicContact CZ3-CG1 3.79Å
129E98.6Very high98Very high31 Ų3166.2 Ų66.215%0.14533%0.326CS..SBendtrans-69.9-42.3169.2-178.1-171.2100.200109.5H44 Y46 T102 N133H44-E129 HydrophobicContact CB-CG 4.35Å; H44-E129 IonicContact CE1-OE1 3.53Å; H44-E129 IonicContact NE2-OE1 3.69Å; Y46-E129 HydrophobicContact CD1-CB 4.24Å; Y46-E129 HydrophobicContact CD1-CG 4.48Å; Y46-E129 HydrophobicContact CE1-CB 3.96Å; Y46-E129 HydrophobicContact CE1-CG 3.84Å; T102-E129 HydrophobicContact CG2-CB 4.37Å; T102-E129 PolarHBondContact OG1-OE2 2.79Å; E129-N133 HydrophobicContact CB-CB 4.46Å; E129-N133 PolarHBondContact N-O 3.09Å; E129-N133 VanDerWaalsContact N-O 3.15Å
130T98.1Very high98.1Very high52 Ų5265 Ų6532%0.31932%0.316SS..SBendtrans-140.1177.2170.770.40000109.6K132 N133T130-K132 PolarHBondContact O-N 3.41Å; T130-K132 VanDerWaalsContact O-N 3.15Å; T130-K132 PolarHBondContact OG1-N 2.88Å; T130-K132 VanDerWaalsContact OG1-N 3.16Å; T130-N133 PolarHBondContact N-O 3.45Å; T130-N133 PolarHBondContact OG1-N 3.28Å; T130-N133 VanDerWaalsContact OG1-N 3.1Å
131E97.2Very high97.9Very high178 Ų17867.1 Ų67.183%0.83232%0.318SS*.SBendtrans-62.1-18171-62.4-178166.500113.5
132K97.8Very high97.5Very high188 Ų18873.5 Ų73.582%0.81735%0.35SS*.SBendtrans-106-21.7-174.2-61177.8-177.1175.80113.3T130T130-K132 PolarHBondContact O-N 3.41Å; T130-K132 VanDerWaalsContact O-N 3.15Å; T130-K132 PolarHBondContact OG1-N 2.88Å; T130-K132 VanDerWaalsContact OG1-N 3.16Å
133N98.1Very high96.9Very high86 Ų8679.9 Ų79.946%0.4639%0.385SS..  trans-121.1114.9-175.1-61-19000109.5E129 T130E129-N133 HydrophobicContact CB-CB 4.46Å; E129-N133 PolarHBondContact N-O 3.09Å; E129-N133 VanDerWaalsContact N-O 3.15Å; T130-N133 PolarHBondContact N-O 3.45Å; T130-N133 PolarHBondContact OG1-N 3.28Å; T130-N133 VanDerWaalsContact OG1-N 3.1Å
134I98.8Very high96Very high78 Ų7885.5 Ų85.540%0.441%0.413SS..EExtended strand (participates in β ladder)trans-133.7134.7-173.7-46.5165.9000108.2K126 I127 W128K126-I134 HydrophobicContact CD-CG2 4.12Å; K126-I134 HydrophobicContact CG-CG2 3.79Å; I127-I134 WeakPolarHBondContact O-CA 3.35Å; W128-I134 HydrophobicContact CD2-CD1 3.89Å; W128-I134 HydrophobicContact CD2-CG1 3.74Å; W128-I134 HydrophobicContact CD2-CG2 4.15Å; W128-I134 HydrophobicContact CE3-CD1 3.46Å; W128-I134 VanDerWaalsContact CE3-CD1 3.46Å; W128-I134 HydrophobicContact CE3-CG1 3.47Å; W128-I134 VanDerWaalsContact CE3-CG1 3.47Å; W128-I134 HydrophobicContact CG-CG1 4.36Å; W128-I134 HydrophobicContact CG-CG2 4.28Å; W128-I134 HydrophobicContact CH2-CD1 3.39Å; W128-I134 HydrophobicContact CH2-CG1 4.31Å; W128-I134 HydrophobicContact CZ2-CD1 3.82Å; W128-I134 HydrophobicContact CZ3-CD1 3.2Å; W128-I134 HydrophobicContact CZ3-CG1 3.79Å
135V98.8Very high94.4Very high25 Ų2598.2 Ų98.215%0.15247%0.469CS..EExtended strand (participates in β ladder)trans-121.2140.7175.6174.60000109.1T102 E103 A106 K126 I127T102-V135 HydrophobicContact CG2-CB 3.76Å; T102-V135 HydrophobicContact CG2-CG2 3.55Å; E103-V135 HydrophobicContact CB-CG1 4.49Å; E103-V135 HydrophobicContact CG-CG1 4.2Å; E103-V135 HydrophobicContact CG-CG2 4.28Å; A106-V135 HydrophobicContact CB-CG1 3.83Å; K126-V135 CarbonylContact C-O 3.41Å; K126-V135 WeakPolarHBondContact CA-O 3.28Å; I127-V135 PolarHBondContact N-O 3.15Å; I127-V135 PolarHBondContact O-N 3.23Å
136T98.7Very high94.2Very high75 Ų75103.2 Ų103.246%0.4649%0.492SS..EExtended strand (participates in β ladder)trans-127141.1173.956.80000110.5V125 K126V125-T136 CarbonylContact O-C 3.58Å; V125-T136 WeakPolarHBondContact O-CA 3.32Å; K126-T136 HydrophobicContact CB-CG2 3.95Å; K126-T136 HydrophobicContact CD-CG2 4.27Å; K126-T136 HydrophobicContact CG-CG2 3.83Å
137Y98.7Very high93.9Very high37 Ų37106.2 Ų106.215%0.14551%0.508CS..EExtended strand (participates in β ladder)trans-140.6133.7172.9-177.7-122.8000110.4V107 W110 V125 E140V107-Y137 HydrophobicContact CB-CD1 4.44Å; V107-Y137 HydrophobicContact CB-CE1 4.24Å; V107-Y137 HydrophobicContact CG1-CE1 4.31Å; V107-Y137 HydrophobicContact CG2-CD1 4.03Å; V107-Y137 HydrophobicContact CG2-CD2 4.34Å; V107-Y137 HydrophobicContact CG2-CE1 3.92Å; V107-Y137 HydrophobicContact CG2-CE2 4.24Å; V107-Y137 HydrophobicContact CG2-CG 4.24Å; W110-Y137 HydrophobicContact CB-CD1 3.5Å; W110-Y137 VanDerWaalsContact CB-CD1 3.5Å; W110-Y137 HydrophobicContact CB-CE1 3.64Å; W110-Y137 AromaticContact CD1-CE1 3.72Å; W110-Y137 HydrophobicContact CD2-CD1 4.1Å; W110-Y137 HydrophobicContact CD2-CE1 4.09Å; W110-Y137 HydrophobicContact CE3-CD1 4.38Å; W110-Y137 AromaticContact CG-CD1 3.69Å; W110-Y137 HydrophobicContact CG-CD1 3.69Å; W110-Y137 AromaticContact CG-CE1 3.5Å; W110-Y137 HydrophobicContact CG-CE1 3.5Å; V125-Y137 PolarHBondContact N-O 2.84Å; V125-Y137 PolarHBondContact O-N 2.83Å; Y137-E140 WeakPolarHBondContact CE2-O 3.38Å
138R98.3Very high93.7Very high106 Ų106112.1 Ų112.140%0.454%0.536SS..  trans-120.423.7179.8-51.1178.5176.2150.1-1.4112.4W110 Y123 E124 E140W110-R138 VanDerWaalsContact CH2-O 3.25Å; W110-R138 WeakPolarHBondContact CH2-O 3.31Å; W110-R138 VanDerWaalsContact CZ3-C 3.47Å; Y123-R138 VanDerWaalsContact O-CB 3.27Å; Y123-R138 WeakPolarHBondContact O-CB 3.26Å; Y123-R138 WeakPolarHBondContact O-CG 3.48Å; E124-R138 HydrophobicContact CB-CG 4.1Å; E124-R138 HydrophobicContact CG-CG 4.09Å; E124-R138 IonicContact OE2-CZ 3.24Å; E124-R138 VanDerWaalsContact OE2-CZ 3.24Å; E124-R138 IonicContact OE2-NE 2.85Å; E124-R138 PolarHBondContact OE2-NE 2.9Å; E124-R138 IonicContact OE2-NH2 2.75Å; E124-R138 PolarHBondContact OE2-NH2 2.78Å; R138-E140 VanDerWaalsContact C-N 3.33Å; R138-E140 WeakPolarHBondContact CA-OE2 3.27Å; R138-E140 WeakPolarHBondContact CB-OE2 3.4Å; R138-E140 PolarHBondContact N-OE2 3.09Å; R138-E140 VanDerWaalsContact N-OE2 3.16Å; R138-E140 PolarHBondContact O-N 3.28Å
139G97.1Very high93.4Very high23 Ų23114.9 Ų114.924%0.23755%0.553CS.*SBendtrans82.15.2176.600000115.1
140E94.5Very high93Very high115 Ų115120.2 Ų120.254%0.53758%0.578SS.*  trans-68.3134.2-179.3-55.398.9149.600111.7Y137 R138Y137-E140 WeakPolarHBondContact CE2-O 3.38Å; R138-E140 VanDerWaalsContact C-N 3.33Å; R138-E140 WeakPolarHBondContact CA-OE2 3.27Å; R138-E140 WeakPolarHBondContact CB-OE2 3.4Å; R138-E140 PolarHBondContact N-OE2 3.09Å; R138-E140 VanDerWaalsContact N-OE2 3.16Å; R138-E140 PolarHBondContact O-N 3.28Å
141K91.1Very high92.7Very high187 Ų187124.7 Ų124.781%0.81360%0.596SS**  trans-114.9132.6173.1-65-176.1-179.5-178.30109.7
142I91.1Very high92.4Very high153 Ų153120.9 Ų120.979%0.78558%0.579SS**  trans-114.3128.7174.5-57.6176000107.2H144I142-H144 PolarHBondContact O-N 2.82Å
143N85.6Confident92Very high149 Ų149115.8 Ų115.880%0.79756%0.561SS**  trans-68.1130.1172.1-68.8-24.6000109K145N143-K145 PolarHBondContact O-N 2.82Å
144H80.2Confident91.4Very high192 Ų192118.3 Ų118.389%0.88957%0.569SS**  trans-61.6129.4165-64.8-70.2000108.2I142I142-H144 PolarHBondContact O-N 2.82Å
145K64.4Low90.8Very high279 Ų279121.9 Ų121.9100%1.21358%0.584SS**  trans-74.20170.3-74.2-174.6178.9179.40110.2N143N143-K145 PolarHBondContact O-N 2.82Å

Retrieved 145 of 145 residues in 32.1 ms (Link to these results)

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