A0A077ZLQ7_TRITR Loading...

mitogen-activated protein kinase kinase

AlphaFold DB , UniProt , Accession A0A077ZLQ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 131 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
1M57.3Low73.2Confident108 Ų10868.6 Ų68.653%0.53235%0.346SS..  0-65.10-150.8-179.4-7200115.7I3 E4 L5 F25 L109M1-I3 PolarHBondContact O-N 2.68Å; M1-E4 WeakPolarHBondContact CA-OE2 3.35Å; M1-E4 VanDerWaalsContact N-CD 3.26Å; M1-E4 PolarHBondContact N-OE1 3.31Å; M1-E4 PolarHBondContact N-OE2 2.94Å; M1-E4 PolarHBondContact O-N 2.87Å; M1-L5 HydrophobicContact CG-CD1 3.91Å; M1-L5 HydrophobicContact CG-CG 4.35Å; M1-L5 WeakPolarHBondContact O-CG 3.27Å; M1-L5 PolarHBondContact O-N 3.16Å; M1-F25 HydrophobicContact SD-CZ 4.04Å; M1-L109 HydrophobicContact CE-CD2 4.43Å
2L60.9Low74.4Confident131 Ų13166 Ų6669%0.68635%0.348SS*.Hα-helixtrans-63.4-41.5-173.4-168.270000113.6E4 N6L2-E4 VanDerWaalsContact C-N 3.32Å; L2-E4 PolarHBondContact O-N 3.09Å; L2-N6 WeakPolarHBondContact O-CB 3.49Å; L2-N6 VanDerWaalsContact O-CG 3.3Å; L2-N6 PolarHBondContact O-N 3.23Å; L2-N6 PolarHBondContact O-ND2 2.92Å
3I65.3Low75.8Confident127 Ų12770.2 Ų70.265%0.65137%0.371SS*.Hα-helixtrans-63.1-41.2175.9-66170.7000110.9M1 N6 A7M1-I3 PolarHBondContact O-N 2.68Å; I3-N6 PolarHBondContact O-N 3.22Å; I3-A7 WeakPolarHBondContact O-CB 3.47Å; I3-A7 PolarHBondContact O-N 3.44Å
4E63.7Low77.1Confident19 Ų1965.9 Ų65.99%0.08935%0.349CS..Hα-helixtrans-69.6-46.3-177.4-63.2147.2-137.800111M1 L2 N6 A7 S8 G104 I105 H108M1-E4 WeakPolarHBondContact CA-OE2 3.35Å; M1-E4 VanDerWaalsContact N-CD 3.26Å; M1-E4 PolarHBondContact N-OE1 3.31Å; M1-E4 PolarHBondContact N-OE2 2.94Å; M1-E4 PolarHBondContact O-N 2.87Å; L2-E4 VanDerWaalsContact C-N 3.32Å; L2-E4 PolarHBondContact O-N 3.09Å; E4-N6 VanDerWaalsContact C-N 3.27Å; E4-N6 PolarHBondContact O-N 3.2Å; E4-A7 PolarHBondContact O-N 3.49Å; E4-A7 VanDerWaalsContact O-N 3.12Å; E4-S8 WeakPolarHBondContact O-CB 3.24Å; E4-S8 PolarHBondContact O-N 3.42Å; E4-S8 PolarHBondContact O-OG 3.16Å; E4-G104 VanDerWaalsContact CG-O 3.3Å; E4-G104 WeakPolarHBondContact CG-O 3.45Å; E4-I105 HydrophobicContact CB-CG1 4.46Å; E4-H108 WeakPolarHBondContact OE1-CB 3.44Å; E4-H108 IonicContact OE1-CD2 3.51Å
5L72.6Confident78.5Confident43 Ų4367.2 Ų67.223%0.22536%0.363CS..Hα-helixtrans-59.1-42.2174.1-71.6171.9000110.6M1 A7 S8 M9 F20 A23M1-L5 HydrophobicContact CG-CD1 3.91Å; M1-L5 HydrophobicContact CG-CG 4.35Å; M1-L5 WeakPolarHBondContact O-CG 3.27Å; M1-L5 PolarHBondContact O-N 3.16Å; L5-A7 VanDerWaalsContact C-N 3.35Å; L5-A7 PolarHBondContact O-N 3.37Å; L5-S8 PolarHBondContact O-N 3.5Å; L5-M9 WeakPolarHBondContact O-CB 3.48Å; L5-M9 WeakPolarHBondContact O-CG 3.45Å; L5-M9 PolarHBondContact O-N 2.97Å; L5-F20 HydrophobicContact CD2-CE1 3.95Å; L5-F20 HydrophobicContact CD2-CZ 3.76Å; L5-A23 HydrophobicContact CD2-CB 4Å
6N74.7Confident79.7Confident92 Ų9265.3 Ų65.349%0.49235%0.351SS..Hα-helixtrans-61.8-40.8175-79.2-21.6000112.7L2 I3 E4 M9 K10L2-N6 WeakPolarHBondContact O-CB 3.49Å; L2-N6 VanDerWaalsContact O-CG 3.3Å; L2-N6 PolarHBondContact O-N 3.23Å; L2-N6 PolarHBondContact O-ND2 2.92Å; I3-N6 PolarHBondContact O-N 3.22Å; E4-N6 VanDerWaalsContact C-N 3.27Å; E4-N6 PolarHBondContact O-N 3.2Å; N6-M9 PolarHBondContact O-N 3.1Å; N6-K10 WeakPolarHBondContact O-CG 3.44Å; N6-K10 PolarHBondContact O-N 3.1Å
7A76Confident80.6Confident8 Ų861.5 Ų61.57%0.06633%0.33CS..Hα-helixtrans-69-41.5176.700000112.3I3 E4 L5 M9 K10 S11 L78 L80I3-A7 WeakPolarHBondContact O-CB 3.47Å; I3-A7 PolarHBondContact O-N 3.44Å; E4-A7 PolarHBondContact O-N 3.49Å; E4-A7 VanDerWaalsContact O-N 3.12Å; L5-A7 VanDerWaalsContact C-N 3.35Å; L5-A7 PolarHBondContact O-N 3.37Å; A7-M9 VanDerWaalsContact C-N 3.32Å; A7-M9 PolarHBondContact O-N 3.35Å; A7-K10 CarbonylContact O-C 3.43Å; A7-K10 PolarHBondContact O-N 2.9Å; A7-S11 PolarHBondContact O-N 3.26Å; A7-L78 HydrophobicContact CB-CD1 4.34Å; A7-L80 HydrophobicContact CB-CD1 3.25Å
8S80.4Confident81.4Confident2 Ų258.3 Ų58.31%0.01431%0.313CS..Hα-helixtrans-59.4-44172.9-59.60000110.8E4 L5 K10 S11 F20E4-S8 WeakPolarHBondContact O-CB 3.24Å; E4-S8 PolarHBondContact O-N 3.42Å; E4-S8 PolarHBondContact O-OG 3.16Å; L5-S8 PolarHBondContact O-N 3.5Å; S8-K10 PolarHBondContact O-N 3.45Å; S8-K10 VanDerWaalsContact O-N 3.15Å; S8-S11 VanDerWaalsContact O-CB 3.26Å; S8-S11 WeakPolarHBondContact O-CB 3.46Å; S8-S11 PolarHBondContact O-N 3.13Å; S8-S11 PolarHBondContact O-OG 2.93Å; S8-F20 VanDerWaalsContact CB-CD1 3.45Å; S8-F20 VanDerWaalsContact O-CB 3.24Å; S8-F20 WeakPolarHBondContact O-CB 3.44Å
9M81.8Confident82Confident116 Ų11662.4 Ų62.457%0.57132%0.324SS*.Hα-helixtrans-59.1-28.4175.1-71-63.2-69.400113.2L5 N6 A7 F20L5-M9 WeakPolarHBondContact O-CB 3.48Å; L5-M9 WeakPolarHBondContact O-CG 3.45Å; L5-M9 PolarHBondContact O-N 2.97Å; N6-M9 PolarHBondContact O-N 3.1Å; A7-M9 VanDerWaalsContact C-N 3.32Å; A7-M9 PolarHBondContact O-N 3.35Å; M9-F20 HydrophobicContact CG-CD1 4.34Å; M9-F20 HydrophobicContact SD-CD1 3.91Å; M9-F20 HydrophobicContact SD-CE1 4.21Å
10K86.9Confident82.5Confident109 Ų10960 Ų6047%0.47431%0.311SS..THydrogen-bonded Turntrans-87.2-4.9175.7-69.2-178.3176.6-172.10114.1N6 A7 S8 G12 N13 Y73 L78N6-K10 WeakPolarHBondContact O-CG 3.44Å; N6-K10 PolarHBondContact O-N 3.1Å; A7-K10 CarbonylContact O-C 3.43Å; A7-K10 PolarHBondContact O-N 2.9Å; S8-K10 PolarHBondContact O-N 3.45Å; S8-K10 VanDerWaalsContact O-N 3.15Å; K10-G12 PolarHBondContact O-N 2.84Å; K10-N13 PolarHBondContact O-N 3.24Å; K10-Y73 PolarHBondContact O-OH 2.86Å; K10-L78 HydrophobicContact CB-CD2 3.6Å; K10-L78 HydrophobicContact CD-CD2 3.59Å; K10-L78 HydrophobicContact CG-CD2 4.27Å
11S85.6Confident82.9Confident0 Ų063.5 Ų63.50%032%0.321CS..G310 helixtrans-64.2-29.8-177.877.20000112.6A7 S8 N13 C14 V18 R19 F20A7-S11 PolarHBondContact O-N 3.26Å; S8-S11 VanDerWaalsContact O-CB 3.26Å; S8-S11 WeakPolarHBondContact O-CB 3.46Å; S8-S11 PolarHBondContact O-N 3.13Å; S8-S11 PolarHBondContact O-OG 2.93Å; S11-N13 PolarHBondContact O-N 3.37Å; S11-C14 PolarHBondContact O-N 3.01Å; S11-V18 WeakPolarHBondContact CB-O 3.49Å; S11-V18 PolarHBondContact OG-O 3.36Å; S11-R19 WeakPolarHBondContact OG-CA 3.33Å; S11-F20 PolarHBondContact OG-N 3.45Å; S11-F20 VanDerWaalsContact OG-N 3.09Å
12G87.1Confident84.3Confident37 Ų3759.3 Ų59.338%0.38131%0.305SS..G310 helixtrans-63.3-9.7178.100000115.2K10K10-G12 PolarHBondContact O-N 2.84Å
13N93Very high85.5Confident121 Ų12154.6 Ų54.665%0.64729%0.285SS*.G310 helixtrans-85.8-10.1175.4-59.6-20.5000112.8K10 S11 Y73K10-N13 PolarHBondContact O-N 3.24Å; S11-N13 PolarHBondContact O-N 3.37Å; N13-Y73 HydrophobicContact CB-CE2 4.33Å; N13-Y73 WeakPolarHBondContact CB-OH 3.39Å
14C94.7Very high86.4Confident9 Ų953.3 Ų53.36%0.06128%0.277CS..SBendtrans-111.1122.1175.3-1780000109.7S11 F16 M17 Y73S11-C14 PolarHBondContact O-N 3.01Å; C14-F16 PolarHBondContact O-N 3.17Å; C14-F16 VanDerWaalsContact O-N 3.1Å; C14-M17 HydrophobicContact CB-CB 4.17Å; C14-M17 HydrophobicContact CB-CG 3.93Å; C14-M17 HydrophobicContact CB-SD 3.89Å; C14-M17 PolarHBondContact O-N 3.03Å; C14-Y73 HydrophobicContact CB-CD1 3.62Å; C14-Y73 HydrophobicContact CB-CD2 4.06Å; C14-Y73 HydrophobicContact CB-CE1 3.87Å; C14-Y73 HydrophobicContact CB-CE2 4.32Å; C14-Y73 HydrophobicContact CB-CG 3.71Å
15P97Very high87.4Confident86 Ų8658.9 Ų58.956%0.55830%0.301SS*.THydrogen-bonded Turntrans-67.5-10.417928.6-35.2000113.5K99P15-K99 WeakPolarHBondContact O-CE 3.48Å
16F97.6Very high88Confident37 Ų3764.2 Ų64.216%0.16232%0.319CS..THydrogen-bonded Turntrans-104.79.9-179.9-49.8-61.5000113.2C14 F65 S66 E69 A70 K99 I100C14-F16 PolarHBondContact O-N 3.17Å; C14-F16 VanDerWaalsContact O-N 3.1Å; F16-F65 HydrophobicContact CE1-CE1 4.35Å; F16-F65 HydrophobicContact CE2-CE1 4.1Å; F16-F65 HydrophobicContact CZ-CD1 4.28Å; F16-F65 AromaticContact CZ-CE1 3.66Å; F16-F65 HydrophobicContact CZ-CE1 3.66Å; F16-S66 WeakPolarHBondContact CB-O 3.45Å; F16-S66 VanDerWaalsContact CD1-OG 3.24Å; F16-S66 WeakPolarHBondContact CD1-OG 3.42Å; F16-S66 WeakPolarHBondContact CE1-OG 3.4Å; F16-E69 HydrophobicContact CD2-CB 3.38Å; F16-E69 HydrophobicContact CD2-CG 4.2Å; F16-E69 HydrophobicContact CE2-CB 3.65Å; F16-E69 HydrophobicContact CE2-CG 3.95Å; F16-E69 HydrophobicContact CG-CB 4.26Å; F16-A70 HydrophobicContact CB-CB 3.85Å; F16-A70 WeakPolarHBondContact O-CB 3.43Å; F16-K99 CarbonylContact O-C 3.56Å; F16-K99 VanDerWaalsContact O-CA 3.3Å; F16-K99 WeakPolarHBondContact O-CA 3.25Å; F16-I100 PolarHBondContact O-N 2.7Å
17M95.5Very high88.6Confident1 Ų167.8 Ų67.81%0.00533%0.332CS..BIsolated β-bridgetrans-118.2142.2172.8-66177.871.400110C14 R19 A70 Y73 M74 L78 F103C14-M17 HydrophobicContact CB-CB 4.17Å; C14-M17 HydrophobicContact CB-CG 3.93Å; C14-M17 HydrophobicContact CB-SD 3.89Å; C14-M17 PolarHBondContact O-N 3.03Å; M17-R19 PolarHBondContact O-N 3.06Å; M17-A70 HydrophobicContact CG-CB 3.99Å; M17-Y73 HydrophobicContact SD-CD1 3.36Å; M17-Y73 WeakPolarHBondContact SD-CD1 3.26Å; M17-Y73 HydrophobicContact SD-CE1 3.76Å; M17-Y73 HydrophobicContact SD-CG 4.44Å; M17-M74 HydrophobicContact CE-CG 3.64Å; M17-M74 HydrophobicContact CE-SD 4.13Å; M17-M74 HydrophobicContact SD-CG 3.86Å; M17-L78 HydrophobicContact CE-CD1 4.19Å; M17-F103 HydrophobicContact CB-CE1 4.33Å; M17-F103 HydrophobicContact CE-CD1 3.73Å; M17-F103 HydrophobicContact CE-CD2 3.4Å; M17-F103 VanDerWaalsContact CE-CD2 3.4Å; M17-F103 HydrophobicContact CE-CE1 3.66Å; M17-F103 HydrophobicContact CE-CE2 3.31Å; M17-F103 HydrophobicContact CE-CG 3.64Å; M17-F103 HydrophobicContact CE-CZ 3.49Å; M17-F103 VanDerWaalsContact CE-CZ 3.49Å
18V95.3Very high88.9Confident4 Ų471.2 Ų71.22%0.02437%0.369CS..PPolyproline II helixtrans-63.4126.5174.2172.80000108.9S11 F20 M34 E35 M37 L91 K99 I100 C101S11-V18 WeakPolarHBondContact CB-O 3.49Å; S11-V18 PolarHBondContact OG-O 3.36Å; V18-F20 PolarHBondContact O-N 3.49Å; V18-M34 HydrophobicContact CG1-CB 3.89Å; V18-M34 HydrophobicContact CG1-CG 4.07Å; V18-M34 HydrophobicContact CG1-SD 4.09Å; V18-E35 HydrophobicContact CG1-CB 4.07Å; V18-M37 HydrophobicContact CG2-CG 4.41Å; V18-L91 HydrophobicContact CG2-CD1 3.92Å; V18-L91 HydrophobicContact CG2-CG 4.5Å; V18-K99 HydrophobicContact CG2-CB 3.77Å; V18-I100 WeakPolarHBondContact CG2-O 3.3Å; V18-I100 PolarHBondContact N-O 2.85Å; V18-C101 HydrophobicContact CB-CB 4.24Å; V18-C101 HydrophobicContact CG2-CB 3.8Å
19R93.5Very high89Confident136 Ų13676 Ų7651%0.51339%0.394SS..PPolyproline II helixtrans-69.4126179.2-177.5170.3-177.3170.95.2110.3S11 M17 Y21 M34 E35S11-R19 WeakPolarHBondContact OG-CA 3.33Å; M17-R19 PolarHBondContact O-N 3.06Å; R19-Y21 HydrophobicContact CB-CE1 4.39Å; R19-Y21 HydrophobicContact CG-CD1 4.15Å; R19-Y21 HydrophobicContact CG-CE1 3.81Å; R19-M34 CarbonylContact O-C 3.5Å; R19-M34 VanDerWaalsContact O-CA 3.26Å; R19-M34 WeakPolarHBondContact O-CA 3.4Å; R19-M34 WeakPolarHBondContact O-CB 3.47Å; R19-E35 HydrophobicContact CB-CB 4.08Å; R19-E35 PolarHBondContact N-OE2 2.99Å; R19-E35 PolarHBondContact O-N 3.27Å
20F91.5Very high88.9Confident14 Ų1473.7 Ų73.76%0.06139%0.387CS..EExtended strand (participates in β ladder)trans-87.8134.7170.3-174-113.1000110.3L5 S8 M9 S11 V18 G22 A23 L32 C33L5-F20 HydrophobicContact CD2-CE1 3.95Å; L5-F20 HydrophobicContact CD2-CZ 3.76Å; S8-F20 VanDerWaalsContact CB-CD1 3.45Å; S8-F20 VanDerWaalsContact O-CB 3.24Å; S8-F20 WeakPolarHBondContact O-CB 3.44Å; M9-F20 HydrophobicContact CG-CD1 4.34Å; M9-F20 HydrophobicContact SD-CD1 3.91Å; M9-F20 HydrophobicContact SD-CE1 4.21Å; S11-F20 PolarHBondContact OG-N 3.45Å; S11-F20 VanDerWaalsContact OG-N 3.09Å; V18-F20 PolarHBondContact O-N 3.49Å; F20-G22 VanDerWaalsContact CE1-CA 3.43Å; F20-G22 VanDerWaalsContact CE2-O 3.26Å; F20-G22 WeakPolarHBondContact CE2-O 3.37Å; F20-G22 WeakPolarHBondContact CZ-O 3.37Å; F20-A23 HydrophobicContact CZ-CB 4.07Å; F20-L32 HydrophobicContact CE2-CB 4.19Å; F20-L32 HydrophobicContact CE2-CD2 3.91Å; F20-L32 HydrophobicContact CZ-CD2 4.19Å; F20-C33 WeakPolarHBondContact CD2-O 3.31Å
21Y90.4Very high88.8Confident134 Ų13474.9 Ų74.953%0.52539%0.388SS..EExtended strand (participates in β ladder)trans-100.7-30.1177.4-57.9-48.5000112.5R19 C33 M34 E35R19-Y21 HydrophobicContact CB-CE1 4.39Å; R19-Y21 HydrophobicContact CG-CD1 4.15Å; R19-Y21 HydrophobicContact CG-CE1 3.81Å; Y21-C33 WeakPolarHBondContact CB-O 3.19Å; Y21-C33 PolarHBondContact N-O 2.81Å; Y21-M34 WeakPolarHBondContact CE2-O 3.38Å; Y21-E35 HydrophobicContact CE2-CB 4.41Å; Y21-E35 VanDerWaalsContact CE2-N 3.33Å
22G87.4Confident88.8Confident19 Ų1977.9 Ų77.920%0.19640%0.404CS..EExtended strand (participates in β ladder)trans156.1176-179.700000112.8F20 C33F20-G22 VanDerWaalsContact CE1-CA 3.43Å; F20-G22 VanDerWaalsContact CE2-O 3.26Å; F20-G22 WeakPolarHBondContact CE2-O 3.37Å; F20-G22 WeakPolarHBondContact CZ-O 3.37Å; G22-C33 PolarHBondContact N-O 3.32Å; G22-C33 WeakPolarHBondContact O-CB 3.46Å; G22-C33 PolarHBondContact O-N 3.37Å
23A85.2Confident89Confident32 Ų3278.3 Ų78.326%0.26440%0.4SS..EExtended strand (participates in β ladder)trans-119.3144.8172.500000110.2L5 F20 V30 W31 L32L5-A23 HydrophobicContact CD2-CB 4Å; F20-A23 HydrophobicContact CZ-CB 4.07Å; A23-V30 HydrophobicContact CB-CG1 4.48Å; A23-W31 CarbonylContact C-O 3.52Å; A23-W31 VanDerWaalsContact CA-O 3.23Å; A23-W31 WeakPolarHBondContact CA-O 3.47Å; A23-L32 HydrophobicContact CB-CD2 3.99Å
24M85.6Confident88.9Confident100 Ų10075.7 Ų75.749%0.49339%0.385SS..EExtended strand (participates in β ladder)trans-121.8141.7172.4-57.7177.9-59.700109.3W31 C33M24-W31 HydrophobicContact CB-CB 4.29Å; M24-W31 HydrophobicContact CE-CB 4.15Å; M24-W31 HydrophobicContact CE-CE3 4.42Å; M24-W31 PolarHBondContact N-O 3.06Å; M24-W31 PolarHBondContact O-N 2.96Å; M24-C33 VanDerWaalsContact CE-SG 3.59Å
25F84.7Confident88.9Confident136 Ų13676.6 Ų76.660%0.59639%0.388SS*.EExtended strand (participates in β ladder)trans-106.9123.9174.7-65.4-92.1000108.5M1 D29 V30M1-F25 HydrophobicContact SD-CZ 4.04Å; F25-D29 WeakPolarHBondContact CA-O 3.37Å; F25-V30 HydrophobicContact CD1-CG2 3.8Å; F25-V30 HydrophobicContact CE1-CB 4.47Å; F25-V30 HydrophobicContact CE1-CG1 4.22Å; F25-V30 HydrophobicContact CE1-CG2 3.56Å; F25-V30 HydrophobicContact CZ-CG1 4.48Å
26R84.1Confident88.9Confident156 Ų15676.9 Ų76.959%0.58940%0.398SS*.EExtended strand (participates in β ladder)trans-145.5124.4178.2-175.9174.8178.1168.10.5109.9G28 D29R26-G28 PolarHBondContact O-N 3.41Å; R26-D29 PolarHBondContact N-O 3.49Å; R26-D29 WeakPolarHBondContact O-CB 3.25Å; R26-D29 PolarHBondContact O-N 2.93Å
27E87Confident88.9Confident166 Ų16676.7 Ų76.778%0.77640%0.398SS*.THydrogen-bonded Turntrans5628.8170.1-64.3164-140.500114.5
28G83.6Confident89Confident81 Ų8181.3 Ų81.384%0.83542%0.423SS*.THydrogen-bonded Turntrans92.4-10-177.500000114.4R26R26-G28 PolarHBondContact O-N 3.41Å
29D80.9Confident89.2Confident103 Ų10383.1 Ų83.155%0.55143%0.434SS*.EExtended strand (participates in β ladder)trans-92.5148.4176.1-66.2-39000112.3F25 R26F25-D29 WeakPolarHBondContact CA-O 3.37Å; R26-D29 PolarHBondContact N-O 3.49Å; R26-D29 WeakPolarHBondContact O-CB 3.25Å; R26-D29 PolarHBondContact O-N 2.93Å
30V80.9Confident89.4Confident67 Ų6777.3 Ų77.341%0.40641%0.414SS..EExtended strand (participates in β ladder)trans-106.5117.1171.5-173.60000108.8A23 F25 L32A23-V30 HydrophobicContact CB-CG1 4.48Å; F25-V30 HydrophobicContact CD1-CG2 3.8Å; F25-V30 HydrophobicContact CE1-CB 4.47Å; F25-V30 HydrophobicContact CE1-CG1 4.22Å; F25-V30 HydrophobicContact CE1-CG2 3.56Å; F25-V30 HydrophobicContact CZ-CG1 4.48Å; V30-L32 HydrophobicContact CG1-CD2 4.15Å
31W85.1Confident89.7Confident134 Ų13477.7 Ų77.751%0.50842%0.416SS..EExtended strand (participates in β ladder)trans-101.7120.6179.6-67.448.3000108.5A23 M24A23-W31 CarbonylContact C-O 3.52Å; A23-W31 VanDerWaalsContact CA-O 3.23Å; A23-W31 WeakPolarHBondContact CA-O 3.47Å; M24-W31 HydrophobicContact CB-CB 4.29Å; M24-W31 HydrophobicContact CE-CB 4.15Å; M24-W31 HydrophobicContact CE-CE3 4.42Å; M24-W31 PolarHBondContact N-O 3.06Å; M24-W31 PolarHBondContact O-N 2.96Å
32L85.1Confident90Very high63 Ų6372.6 Ų72.633%0.3340%0.399SS..EExtended strand (participates in β ladder)trans-99.6115.8178.5-59.4174.2000109.3F20 A23 V30 M34 I105F20-L32 HydrophobicContact CE2-CB 4.19Å; F20-L32 HydrophobicContact CE2-CD2 3.91Å; F20-L32 HydrophobicContact CZ-CD2 4.19Å; A23-L32 HydrophobicContact CB-CD2 3.99Å; V30-L32 HydrophobicContact CG1-CD2 4.15Å; L32-M34 HydrophobicContact CB-CE 3.81Å; L32-I105 HydrophobicContact CD1-CD1 3.88Å; L32-I105 HydrophobicContact CD1-CG2 3.95Å; L32-I105 HydrophobicContact CD2-CD1 4.22Å
33C90.2Very high90.5Very high45 Ų4578.4 Ų78.430%0.30442%0.418SS..EExtended strand (participates in β ladder)trans-93.1120.7177.2-64.80000109.2F20 Y21 G22 M24F20-C33 WeakPolarHBondContact CD2-O 3.31Å; Y21-C33 WeakPolarHBondContact CB-O 3.19Å; Y21-C33 PolarHBondContact N-O 2.81Å; G22-C33 PolarHBondContact N-O 3.32Å; G22-C33 WeakPolarHBondContact O-CB 3.46Å; G22-C33 PolarHBondContact O-N 3.37Å; M24-C33 VanDerWaalsContact CE-SG 3.59Å
34M92.2Very high91.1Very high66 Ų6679.4 Ų79.433%0.32542%0.417SS..EExtended strand (participates in β ladder)trans-144167.4-178.665.5-173.57300111.5V18 R19 Y21 L32 A36V18-M34 HydrophobicContact CG1-CB 3.89Å; V18-M34 HydrophobicContact CG1-CG 4.07Å; V18-M34 HydrophobicContact CG1-SD 4.09Å; R19-M34 CarbonylContact O-C 3.5Å; R19-M34 VanDerWaalsContact O-CA 3.26Å; R19-M34 WeakPolarHBondContact O-CA 3.4Å; R19-M34 WeakPolarHBondContact O-CB 3.47Å; Y21-M34 WeakPolarHBondContact CE2-O 3.38Å; L32-M34 HydrophobicContact CB-CE 3.81Å; M34-A36 PolarHBondContact O-N 3.32Å
35E94.8Very high91.6Very high29 Ų2977.9 Ų77.914%0.13641%0.406CS..  trans-55.9130.3174.2177.7-176173.200111.3V18 R19 Y21 M37 K99V18-E35 HydrophobicContact CG1-CB 4.07Å; R19-E35 HydrophobicContact CB-CB 4.08Å; R19-E35 PolarHBondContact N-OE2 2.99Å; R19-E35 PolarHBondContact O-N 3.27Å; Y21-E35 HydrophobicContact CE2-CB 4.41Å; Y21-E35 VanDerWaalsContact CE2-N 3.33Å; E35-M37 HydrophobicContact CG-SD 4.46Å; E35-K99 IonicContact OE1-NZ 3.45Å; E35-K99 PolarHBondContact OE1-NZ 2.99Å; E35-K99 IonicContact OE2-NZ 2.7Å; E35-K99 PolarHBondContact OE2-NZ 2.77Å
36A96.2Very high92.2Very high92 Ų9277 Ų7776%0.7640%0.399SS*.  trans-81.4134.2177.600000111M34M34-A36 PolarHBondContact O-N 3.32Å
37M97.9Very high92.9Very high32 Ų3274.1 Ų74.116%0.15839%0.393CS..  trans-120.4157.6176-59.2-67.4-75.200109.3V18 E35 L91 N93 E97 K99V18-M37 HydrophobicContact CG2-CG 4.41Å; E35-M37 HydrophobicContact CG-SD 4.46Å; M37-L91 HydrophobicContact CB-CB 3.61Å; M37-L91 HydrophobicContact CB-CD1 3.9Å; M37-L91 HydrophobicContact CB-CG 4.36Å; M37-L91 HydrophobicContact CE-CB 4.16Å; M37-L91 HydrophobicContact CG-CB 3.6Å; M37-L91 HydrophobicContact CG-CD1 3.78Å; M37-L91 HydrophobicContact CG-CG 4.36Å; M37-N93 HydrophobicContact CE-CB 3.98Å; M37-N93 HydrophobicContact SD-CB 4.21Å; M37-E97 HydrophobicContact CE-CB 4.38Å; M37-K99 HydrophobicContact CE-CB 4.15Å; M37-K99 HydrophobicContact CE-CD 4.23Å; M37-K99 HydrophobicContact CE-CG 4.07Å; M37-K99 HydrophobicContact SD-CD 4.22Å
38D98.1Very high93.3Very high98 Ų9866.8 Ų66.852%0.52436%0.36SS..SBendtrans-79.1-35.8-171.5-67.8-58.5000113L92 N93 R94D38-L92 PolarHBondContact N-O 2.92Å; D38-N93 HydrophobicContact CB-CB 4.47Å; D38-N93 WeakPolarHBondContact OD2-CA 3.45Å; D38-N93 VanDerWaalsContact OD2-CB 3.27Å; D38-N93 WeakPolarHBondContact OD2-CB 3.41Å; D38-R94 WeakPolarHBondContact OD2-CG 3.09Å; D38-R94 PolarHBondContact OD2-N 3.45Å
39T98Very high93.9Very high42 Ų4268.3 Ų68.326%0.25835%0.348SS..EExtended strand (participates in β ladder)trans-158.7169.4-179.3-164.50000111.7K43 F44 L91 L92T39-K43 WeakPolarHBondContact OG1-CB 3.46Å; T39-F44 HydrophobicContact CG2-CB 4.24Å; T39-L91 WeakPolarHBondContact O-CA 3.26Å; T39-L92 HydrophobicContact CG2-CB 4.07Å; T39-L92 HydrophobicContact CG2-CD1 4.31Å; T39-L92 PolarHBondContact N-O 3.4Å; T39-L92 VanDerWaalsContact N-O 3.16Å; T39-L92 PolarHBondContact O-N 3.26Å
40S98Very high94.7Very high14 Ų1469.8 Ų69.810%0.09836%0.356CS..EExtended strand (participates in β ladder)trans-93.1155.6166.362.50000110.7D42 K43 F44 I90S40-D42 PolarHBondContact O-N 3.34Å; S40-K43 PolarHBondContact O-N 3.22Å; S40-K43 PolarHBondContact OG-N 2.94Å; S40-F44 WeakPolarHBondContact O-CB 3.41Å; S40-F44 PolarHBondContact O-N 3.27Å; S40-I90 CarbonylContact C-O 3.48Å; S40-I90 VanDerWaalsContact CA-O 3.29Å; S40-I90 WeakPolarHBondContact CA-O 3.45Å
41L97.8Very high95.5Very high22 Ų2271.4 Ų71.412%0.11536%0.362CS..Hα-helixtrans-56.1-35.5171.2-178.163.7000110.3K43 F44 Y45 F59 V63 P87 I90 L92L41-K43 PolarHBondContact O-N 3.3Å; L41-F44 HydrophobicContact CD1-CD1 4.37Å; L41-F44 PolarHBondContact O-N 2.84Å; L41-Y45 WeakPolarHBondContact O-CD1 3.27Å; L41-Y45 PolarHBondContact O-N 3Å; L41-F59 HydrophobicContact CD1-CE1 4.11Å; L41-V63 HydrophobicContact CD1-CG2 4.37Å; L41-V63 HydrophobicContact CD2-CG1 3.72Å; L41-P87 HydrophobicContact CB-CB 4.4Å; L41-P87 WeakPolarHBondContact CB-O 3.47Å; L41-P87 HydrophobicContact CD2-CB 4.47Å; L41-P87 HydrophobicContact CG-CB 4.41Å; L41-P87 PolarHBondContact N-O 2.81Å; L41-I90 HydrophobicContact CB-CB 3.9Å; L41-I90 HydrophobicContact CB-CG2 4.13Å; L41-I90 HydrophobicContact CD2-CB 4.25Å; L41-I90 HydrophobicContact CD2-CG1 4.48Å; L41-I90 HydrophobicContact CD2-CG2 4.23Å; L41-I90 PolarHBondContact N-O 3.05Å; L41-L92 HydrophobicContact CB-CD1 4.45Å; L41-L92 HydrophobicContact CD1-CD1 4.16Å
42D97.6Very high96Very high28 Ų2872.2 Ų72.215%0.1538%0.376CS..Hα-helixtrans-55.7-49.1175.5-17375000114S40 Y45 R46 P87S40-D42 PolarHBondContact O-N 3.34Å; D42-Y45 HydrophobicContact CB-CE1 4.35Å; D42-Y45 WeakPolarHBondContact O-CD1 3.11Å; D42-Y45 WeakPolarHBondContact O-CE1 3.48Å; D42-R46 VanDerWaalsContact O-CG 3.25Å; D42-R46 WeakPolarHBondContact O-CG 3.46Å; D42-R46 PolarHBondContact O-NE 2.9Å; D42-R46 IonicContact OD1-CZ 2.7Å; D42-R46 VanDerWaalsContact OD1-CZ 3.28Å; D42-R46 IonicContact OD1-NE 3.9Å; D42-R46 IonicContact OD1-NH2 2.83Å; D42-R46 PolarHBondContact OD1-NH2 2.98Å; D42-R46 IonicContact OD2-CZ 3.37Å; D42-R46 IonicContact OD2-NE 2.83Å; D42-R46 PolarHBondContact OD2-NE 3.24Å; D42-R46 IonicContact OD2-NH2 2.78Å; D42-R46 PolarHBondContact OD2-NH2 3.1Å; D42-P87 HydrophobicContact CB-CB 3.85Å; D42-P87 PolarHBondContact N-O 3.35Å
43K97.8Very high96.6Very high141 Ų14175.1 Ų75.161%0.61339%0.388SS*.Hα-helixtrans-69.7-38.3175.9-71.4178-178.7178.50111.2T39 S40 L41 M47T39-K43 WeakPolarHBondContact OG1-CB 3.46Å; S40-K43 PolarHBondContact O-N 3.22Å; S40-K43 PolarHBondContact OG-N 2.94Å; L41-K43 PolarHBondContact O-N 3.3Å; K43-M47 WeakPolarHBondContact O-CB 3.49Å; K43-M47 PolarHBondContact O-N 3.06Å; K43-M47 VanDerWaalsContact O-N 3.08Å
44F97.6Very high96.8Very high52 Ų5278.3 Ų78.323%0.22841%0.41CS..Hα-helixtrans-63.8-49.9-177-178.8-98.8000112.6T39 S40 L41 R46 M47 C48 F59 L92T39-F44 HydrophobicContact CG2-CB 4.24Å; S40-F44 WeakPolarHBondContact O-CB 3.41Å; S40-F44 PolarHBondContact O-N 3.27Å; L41-F44 HydrophobicContact CD1-CD1 4.37Å; L41-F44 PolarHBondContact O-N 2.84Å; F44-R46 VanDerWaalsContact C-N 3.32Å; F44-R46 PolarHBondContact O-N 3.49Å; F44-M47 HydrophobicContact CD2-CE 3.91Å; F44-M47 HydrophobicContact CE2-CE 4.05Å; F44-M47 WeakPolarHBondContact O-CB 3.45Å; F44-M47 PolarHBondContact O-N 3.2Å; F44-C48 PolarHBondContact O-N 3.35Å; F44-C48 PolarHBondContact O-SG 2.89Å; F44-F59 HydrophobicContact CD1-CE1 4.14Å; F44-F59 HydrophobicContact CD1-CZ 4.27Å; F44-F59 HydrophobicContact CE1-CD1 4.39Å; F44-F59 AromaticContact CE1-CE1 3.75Å; F44-F59 HydrophobicContact CE1-CE1 3.75Å; F44-F59 AromaticContact CE1-CZ 3.9Å; F44-F59 HydrophobicContact CE1-CZ 3.9Å; F44-F59 HydrophobicContact CZ-CZ 4.42Å; F44-L92 HydrophobicContact CB-CD1 3.74Å; F44-L92 HydrophobicContact CD1-CD1 4.07Å; F44-L92 HydrophobicContact CD2-CD1 4.3Å; F44-L92 HydrophobicContact CG-CD1 3.77Å
45Y96.8Very high96.9Very high68 Ų6877.1 Ų77.127%0.26741%0.405SS..Hα-helixtrans-67.3-35.8-177.284.4-104.3000111.8L41 D42 C48 I49 P87L41-Y45 WeakPolarHBondContact O-CD1 3.27Å; L41-Y45 PolarHBondContact O-N 3Å; D42-Y45 HydrophobicContact CB-CE1 4.35Å; D42-Y45 WeakPolarHBondContact O-CD1 3.11Å; D42-Y45 WeakPolarHBondContact O-CE1 3.48Å; Y45-C48 WeakPolarHBondContact O-CB 3.29Å; Y45-C48 PolarHBondContact O-N 3.42Å; Y45-I49 HydrophobicContact CD2-CD1 3.75Å; Y45-I49 HydrophobicContact CE2-CD1 4.04Å; Y45-I49 WeakPolarHBondContact O-CG1 3.47Å; Y45-I49 PolarHBondContact O-N 2.99Å; Y45-P87 HydrophobicContact CD1-CB 4.41Å; Y45-P87 HydrophobicContact CE1-CB 4.11Å; Y45-P87 HydrophobicContact CE1-CG 4.44Å
46R97.6Very high97Very high118 Ų11879.9 Ų79.945%0.44543%0.425SS..Hα-helixtrans-62-45.1174.8-66.9177.8-145.4-9316.4111.1D42 F44 C48 I49 D50D42-R46 VanDerWaalsContact O-CG 3.25Å; D42-R46 WeakPolarHBondContact O-CG 3.46Å; D42-R46 PolarHBondContact O-NE 2.9Å; D42-R46 IonicContact OD1-CZ 2.7Å; D42-R46 VanDerWaalsContact OD1-CZ 3.28Å; D42-R46 IonicContact OD1-NE 3.9Å; D42-R46 IonicContact OD1-NH2 2.83Å; D42-R46 PolarHBondContact OD1-NH2 2.98Å; D42-R46 IonicContact OD2-CZ 3.37Å; D42-R46 IonicContact OD2-NE 2.83Å; D42-R46 PolarHBondContact OD2-NE 3.24Å; D42-R46 IonicContact OD2-NH2 2.78Å; D42-R46 PolarHBondContact OD2-NH2 3.1Å; F44-R46 VanDerWaalsContact C-N 3.32Å; F44-R46 PolarHBondContact O-N 3.49Å; R46-C48 VanDerWaalsContact C-N 3.29Å; R46-C48 PolarHBondContact O-N 3.04Å; R46-I49 WeakPolarHBondContact O-CB 3.33Å; R46-I49 PolarHBondContact O-N 3.47Å; R46-I49 VanDerWaalsContact O-N 3.11Å; R46-D50 VanDerWaalsContact O-CG 3.28Å; R46-D50 PolarHBondContact O-N 3.11Å
47M97.3Very high97.1Very high95 Ų9583.3 Ų83.347%0.46843%0.426SS..Hα-helixtrans-58.1-40.4174.4-178.9-17271.300112K43 F44 D50 L51K43-M47 WeakPolarHBondContact O-CB 3.49Å; K43-M47 PolarHBondContact O-N 3.06Å; K43-M47 VanDerWaalsContact O-N 3.08Å; F44-M47 HydrophobicContact CD2-CE 3.91Å; F44-M47 HydrophobicContact CE2-CE 4.05Å; F44-M47 WeakPolarHBondContact O-CB 3.45Å; F44-M47 PolarHBondContact O-N 3.2Å; M47-D50 PolarHBondContact O-N 2.7Å; M47-L51 HydrophobicContact CG-CD1 3.93Å; M47-L51 WeakPolarHBondContact O-CB 3.47Å; M47-L51 VanDerWaalsContact O-CG 3.25Å; M47-L51 WeakPolarHBondContact O-CG 3.29Å; M47-L51 PolarHBondContact O-N 2.83Å
48C96.8Very high97Very high13 Ų1389.2 Ų89.29%0.08845%0.45CS..Hα-helixtrans-62.5-43.5174.7-67.40000112.2F44 Y45 R46 L51 N52 H53 I55F44-C48 PolarHBondContact O-N 3.35Å; F44-C48 PolarHBondContact O-SG 2.89Å; Y45-C48 WeakPolarHBondContact O-CB 3.29Å; Y45-C48 PolarHBondContact O-N 3.42Å; R46-C48 VanDerWaalsContact C-N 3.29Å; R46-C48 PolarHBondContact O-N 3.04Å; C48-L51 CarbonylContact O-C 3.55Å; C48-L51 PolarHBondContact O-N 3.26Å; C48-N52 PolarHBondContact O-N 2.71Å; C48-N52 VanDerWaalsContact O-N 3.13Å; C48-H53 CarbonylContact C-O 3.58Å; C48-H53 PolarHBondContact O-N 2.94Å; C48-I55 HydrophobicContact CB-CD1 4.39Å; C48-I55 HydrophobicContact CB-CG1 3.96Å
49I95.9Very high97Very high112 Ų11287.1 Ų87.157%0.57444%0.437SS*.Hα-helixtrans-61.4-48.1176.6-67.4169.1000110.7Y45 R46 L51 N52Y45-I49 HydrophobicContact CD2-CD1 3.75Å; Y45-I49 HydrophobicContact CE2-CD1 4.04Å; Y45-I49 WeakPolarHBondContact O-CG1 3.47Å; Y45-I49 PolarHBondContact O-N 2.99Å; R46-I49 WeakPolarHBondContact O-CB 3.33Å; R46-I49 PolarHBondContact O-N 3.47Å; R46-I49 VanDerWaalsContact O-N 3.11Å; I49-L51 PolarHBondContact O-N 3.29Å; I49-N52 WeakPolarHBondContact O-CA 3.25Å; I49-N52 PolarHBondContact O-N 3.16Å
50D97.1Very high96.9Very high134 Ų13489.1 Ų89.172%0.71745%0.446SS*.Hα-helixtrans-62.3-32.3-179.3-66-21000112.1R46 M47 N52R46-D50 VanDerWaalsContact O-CG 3.28Å; R46-D50 PolarHBondContact O-N 3.11Å; M47-D50 PolarHBondContact O-N 2.7Å; D50-N52 VanDerWaalsContact C-N 3.31Å
51L97.4Very high96.9Very high101 Ų10191.3 Ų91.353%0.52946%0.461SS..THydrogen-bonded Turntrans-86.83.6175-64.8174.2000113.6M47 C48 I49 H53M47-L51 HydrophobicContact CG-CD1 3.93Å; M47-L51 WeakPolarHBondContact O-CB 3.47Å; M47-L51 VanDerWaalsContact O-CG 3.25Å; M47-L51 WeakPolarHBondContact O-CG 3.29Å; M47-L51 PolarHBondContact O-N 2.83Å; C48-L51 CarbonylContact O-C 3.55Å; C48-L51 PolarHBondContact O-N 3.26Å; I49-L51 PolarHBondContact O-N 3.29Å; L51-H53 PolarHBondContact O-CD2 2.87Å; L51-H53 PolarHBondContact O-N 3.08Å
52N96.5Very high96.9Very high151 Ų15196 Ų9681%0.80748%0.477SS*.THydrogen-bonded Turntrans53.237-175.9-15970.4000113.2C48 I49 D50C48-N52 PolarHBondContact O-N 2.71Å; C48-N52 VanDerWaalsContact O-N 3.13Å; I49-N52 WeakPolarHBondContact O-CA 3.25Å; I49-N52 PolarHBondContact O-N 3.16Å; D50-N52 VanDerWaalsContact C-N 3.31Å
53H96.6Very high97Very high125 Ų12595 Ų9558%0.57947%0.472SS*.  trans-104.1134.2176.9-72.9-179.1000110.5C48 L51C48-H53 CarbonylContact C-O 3.58Å; C48-H53 PolarHBondContact O-N 2.94Å; L51-H53 PolarHBondContact O-CD2 2.87Å; L51-H53 PolarHBondContact O-N 3.08Å
54S94.5Very high97Very high111 Ų11190.8 Ų90.878%0.77646%0.464SS*.PPolyproline II helixtrans-77.5146.1168.357.40000110.7
55I95.6Very high97Very high42 Ų4292.9 Ų92.922%0.21547%0.473CS..PPolyproline II helixtrans-85.5124.2172.4-59.2171.9000107.7C48 E57 F59 L60C48-I55 HydrophobicContact CB-CD1 4.39Å; C48-I55 HydrophobicContact CB-CG1 3.96Å; I55-E57 PolarHBondContact O-N 3.42Å; I55-F59 HydrophobicContact CG2-CB 4.23Å; I55-F59 HydrophobicContact CG2-CD1 3.49Å; I55-F59 VanDerWaalsContact CG2-CD1 3.49Å; I55-F59 HydrophobicContact CG2-CE1 4.26Å; I55-F59 HydrophobicContact CG2-CG 4.21Å; I55-L60 HydrophobicContact CB-CD2 4.42Å; I55-L60 HydrophobicContact CG2-CD2 3.77Å; I55-L60 HydrophobicContact CG2-CG 3.95Å
56P96.2Very high97.1Very high86 Ų8689.9 Ų89.956%0.55846%0.462SS*.PPolyproline II helixtrans-59.7138.5179.2-24.534.2000112.3F58 F59 L60P56-F58 PolarHBondContact O-N 3.34Å; P56-F59 WeakPolarHBondContact O-CB 3.37Å; P56-F59 PolarHBondContact O-N 3.38Å; P56-L60 PolarHBondContact O-N 3.14Å
57E97.4Very high97.1Very high165 Ų16585.7 Ų85.777%0.77145%0.448SS*.Hα-helixtrans-56.8-37.8179.3-175.2177.6167.100112.5I55 F59 L60 S61I55-E57 PolarHBondContact O-N 3.42Å; E57-F59 VanDerWaalsContact C-N 3.28Å; E57-F59 PolarHBondContact O-N 2.86Å; E57-L60 WeakPolarHBondContact O-CB 3.36Å; E57-L60 PolarHBondContact O-N 3.43Å; E57-L60 VanDerWaalsContact O-N 3.09Å; E57-S61 PolarHBondContact O-N 2.93Å
58F97Very high97.1Very high155 Ų15585.5 Ų85.568%0.6845%0.452SS*.Hα-helixtrans-56.6-41.4174.4-179.8-101.2000112.2P56 S61 R62P56-F58 PolarHBondContact O-N 3.34Å; F58-S61 PolarHBondContact O-N 2.89Å; F58-S61 PolarHBondContact O-OG 3.05Å; F58-R62 HydrophobicContact CE1-CG 4.2Å; F58-R62 HydrophobicContact CZ-CG 4.29Å; F58-R62 WeakPolarHBondContact O-CG 3.38Å; F58-R62 PolarHBondContact O-N 3.5Å; F58-R62 VanDerWaalsContact O-N 3.16Å
59F97Very high97.2Very high54 Ų5488.5 Ų88.524%0.23746%0.464CS..Hα-helixtrans-64.5-44.4175.8178.8-92.9000111.1L41 F44 I55 P56 E57 S61 R62 V63 L92L41-F59 HydrophobicContact CD1-CE1 4.11Å; F44-F59 HydrophobicContact CD1-CE1 4.14Å; F44-F59 HydrophobicContact CD1-CZ 4.27Å; F44-F59 HydrophobicContact CE1-CD1 4.39Å; F44-F59 AromaticContact CE1-CE1 3.75Å; F44-F59 HydrophobicContact CE1-CE1 3.75Å; F44-F59 AromaticContact CE1-CZ 3.9Å; F44-F59 HydrophobicContact CE1-CZ 3.9Å; F44-F59 HydrophobicContact CZ-CZ 4.42Å; I55-F59 HydrophobicContact CG2-CB 4.23Å; I55-F59 HydrophobicContact CG2-CD1 3.49Å; I55-F59 VanDerWaalsContact CG2-CD1 3.49Å; I55-F59 HydrophobicContact CG2-CE1 4.26Å; I55-F59 HydrophobicContact CG2-CG 4.21Å; P56-F59 WeakPolarHBondContact O-CB 3.37Å; P56-F59 PolarHBondContact O-N 3.38Å; E57-F59 VanDerWaalsContact C-N 3.28Å; E57-F59 PolarHBondContact O-N 2.86Å; F59-S61 VanDerWaalsContact C-N 3.3Å; F59-S61 PolarHBondContact O-N 3.24Å; F59-R62 WeakPolarHBondContact O-CB 3.47Å; F59-R62 PolarHBondContact O-N 2.86Å; F59-R62 VanDerWaalsContact O-N 3.1Å; F59-V63 HydrophobicContact CD1-CG2 3.95Å; F59-V63 HydrophobicContact CE1-CG2 3.53Å; F59-V63 HydrophobicContact CZ-CG2 3.91Å; F59-V63 WeakPolarHBondContact O-CG2 3.43Å; F59-V63 PolarHBondContact O-N 3.04Å; F59-L92 HydrophobicContact CZ-CD1 3.93Å; F59-L92 HydrophobicContact CZ-CD2 4.05Å
60L97.2Very high97.2Very high85 Ų8583.1 Ų83.145%0.44544%0.437SS..Hα-helixtrans-59.6-40.1176.7-62.2175.5000112I55 P56 E57 R62 V63 A64I55-L60 HydrophobicContact CB-CD2 4.42Å; I55-L60 HydrophobicContact CG2-CD2 3.77Å; I55-L60 HydrophobicContact CG2-CG 3.95Å; P56-L60 PolarHBondContact O-N 3.14Å; E57-L60 WeakPolarHBondContact O-CB 3.36Å; E57-L60 PolarHBondContact O-N 3.43Å; E57-L60 VanDerWaalsContact O-N 3.09Å; L60-R62 VanDerWaalsContact C-N 3.31Å; L60-R62 PolarHBondContact O-N 3.5Å; L60-V63 WeakPolarHBondContact O-CB 3.3Å; L60-V63 PolarHBondContact O-N 2.96Å; L60-A64 PolarHBondContact O-N 2.96Å
61S97.7Very high97.1Very high60 Ų6079.4 Ų79.442%0.4242%0.417SS..Hα-helixtrans-63.1-36.7175.674.60000112.6E57 F58 F59 A64 F65E57-S61 PolarHBondContact O-N 2.93Å; F58-S61 PolarHBondContact O-N 2.89Å; F58-S61 PolarHBondContact O-OG 3.05Å; F59-S61 VanDerWaalsContact C-N 3.3Å; F59-S61 PolarHBondContact O-N 3.24Å; S61-A64 PolarHBondContact O-N 3.29Å; S61-F65 VanDerWaalsContact O-CB 3.27Å; S61-F65 WeakPolarHBondContact O-CB 3.2Å; S61-F65 PolarHBondContact O-N 2.91Å
62R97.9Very high97Very high119 Ų11981.5 Ų81.545%0.44942%0.419SS..Hα-helixtrans-69.1-40176.2-67.4-59.8-60.3-164.4-2.2111.2F58 F59 L60 S66 I98F58-R62 HydrophobicContact CE1-CG 4.2Å; F58-R62 HydrophobicContact CZ-CG 4.29Å; F58-R62 WeakPolarHBondContact O-CG 3.38Å; F58-R62 PolarHBondContact O-N 3.5Å; F58-R62 VanDerWaalsContact O-N 3.16Å; F59-R62 WeakPolarHBondContact O-CB 3.47Å; F59-R62 PolarHBondContact O-N 2.86Å; F59-R62 VanDerWaalsContact O-N 3.1Å; L60-R62 VanDerWaalsContact C-N 3.31Å; L60-R62 PolarHBondContact O-N 3.5Å; R62-S66 WeakPolarHBondContact O-CB 3.35Å; R62-S66 PolarHBondContact O-N 2.79Å; R62-S66 PolarHBondContact O-OG 2.94Å; R62-I98 HydrophobicContact CB-CD1 3.89Å
63V98.2Very high97Very high9 Ų975.9 Ų75.96%0.05539%0.386CS..Hα-helixtrans-59.5-52.4172.9172.60000110.6L41 F59 L60 F65 S66 I67 I98L41-V63 HydrophobicContact CD1-CG2 4.37Å; L41-V63 HydrophobicContact CD2-CG1 3.72Å; F59-V63 HydrophobicContact CD1-CG2 3.95Å; F59-V63 HydrophobicContact CE1-CG2 3.53Å; F59-V63 HydrophobicContact CZ-CG2 3.91Å; F59-V63 WeakPolarHBondContact O-CG2 3.43Å; F59-V63 PolarHBondContact O-N 3.04Å; L60-V63 WeakPolarHBondContact O-CB 3.3Å; L60-V63 PolarHBondContact O-N 2.96Å; V63-F65 PolarHBondContact O-N 3.29Å; V63-S66 PolarHBondContact O-N 3.49Å; V63-I67 HydrophobicContact CG1-CD1 3.67Å; V63-I67 HydrophobicContact CG1-CG1 4.47Å; V63-I67 VanDerWaalsContact O-CG1 3.25Å; V63-I67 WeakPolarHBondContact O-CG1 3.29Å; V63-I67 PolarHBondContact O-N 2.77Å; V63-I98 HydrophobicContact CB-CD1 4.43Å; V63-I98 HydrophobicContact CG2-CD1 3.81Å
64A98.3Very high96.7Very high52 Ų5270 Ų7043%0.4336%0.359SS..Hα-helixtrans-59.3-46.3-18000000112L60 S61 I67 V68L60-A64 PolarHBondContact O-N 2.96Å; S61-A64 PolarHBondContact O-N 3.29Å; A64-I67 PolarHBondContact O-N 3.44Å; A64-V68 WeakPolarHBondContact O-CG2 3.25Å; A64-V68 PolarHBondContact O-N 3.43Å
65F98.5Very high96.5Very high96 Ų9670.2 Ų70.242%0.42135%0.346SS..Hα-helixtrans-57.5-51.7176.6177-95.5000111.9F16 S61 V63 I67 V68 E69F16-F65 HydrophobicContact CE1-CE1 4.35Å; F16-F65 HydrophobicContact CE2-CE1 4.1Å; F16-F65 HydrophobicContact CZ-CD1 4.28Å; F16-F65 AromaticContact CZ-CE1 3.66Å; F16-F65 HydrophobicContact CZ-CE1 3.66Å; S61-F65 VanDerWaalsContact O-CB 3.27Å; S61-F65 WeakPolarHBondContact O-CB 3.2Å; S61-F65 PolarHBondContact O-N 2.91Å; V63-F65 PolarHBondContact O-N 3.29Å; F65-I67 VanDerWaalsContact C-N 3.28Å; F65-I67 PolarHBondContact O-N 3.39Å; F65-V68 PolarHBondContact O-N 3.04Å; F65-E69 HydrophobicContact CD1-CG 4.24Å; F65-E69 HydrophobicContact CD2-CG 4.27Å; F65-E69 HydrophobicContact CE1-CG 3.83Å; F65-E69 HydrophobicContact CE2-CG 3.86Å; F65-E69 HydrophobicContact CG-CG 4.45Å; F65-E69 HydrophobicContact CZ-CG 3.62Å; F65-E69 WeakPolarHBondContact O-CB 3.37Å; F65-E69 WeakPolarHBondContact O-CG 3.33Å; F65-E69 PolarHBondContact O-N 2.73Å
66S98.2Very high96.5Very high5 Ų571.8 Ų71.84%0.03536%0.357CS..Hα-helixtrans-60.6-37.7179.5-68.70000112.5F16 R62 V63 A70F16-S66 WeakPolarHBondContact CB-O 3.45Å; F16-S66 VanDerWaalsContact CD1-OG 3.24Å; F16-S66 WeakPolarHBondContact CD1-OG 3.42Å; F16-S66 WeakPolarHBondContact CE1-OG 3.4Å; R62-S66 WeakPolarHBondContact O-CB 3.35Å; R62-S66 PolarHBondContact O-N 2.79Å; R62-S66 PolarHBondContact O-OG 2.94Å; V63-S66 PolarHBondContact O-N 3.49Å; S66-A70 VanDerWaalsContact O-CB 3.31Å; S66-A70 WeakPolarHBondContact O-CB 3.46Å; S66-A70 PolarHBondContact O-N 3.46Å
67I97.6Very high96.2Very high30 Ų3073.2 Ų73.215%0.15436%0.357CS..Hα-helixtrans-65.6-49.5177.5-68.3168.2000110.8V63 A64 F65 E69 A70 L71 V85 I90 I100V63-I67 HydrophobicContact CG1-CD1 3.67Å; V63-I67 HydrophobicContact CG1-CG1 4.47Å; V63-I67 VanDerWaalsContact O-CG1 3.25Å; V63-I67 WeakPolarHBondContact O-CG1 3.29Å; V63-I67 PolarHBondContact O-N 2.77Å; A64-I67 PolarHBondContact O-N 3.44Å; F65-I67 VanDerWaalsContact C-N 3.28Å; F65-I67 PolarHBondContact O-N 3.39Å; I67-E69 PolarHBondContact O-N 3.23Å; I67-A70 PolarHBondContact O-N 2.82Å; I67-L71 HydrophobicContact CG2-CD1 3.78Å; I67-L71 HydrophobicContact CG2-CG 4.35Å; I67-L71 WeakPolarHBondContact O-CB 3.48Å; I67-L71 VanDerWaalsContact O-CG 3.25Å; I67-L71 WeakPolarHBondContact O-CG 3.5Å; I67-L71 PolarHBondContact O-N 3.43Å; I67-V85 HydrophobicContact CG2-CG1 4.16Å; I67-I90 HydrophobicContact CD1-CD1 3.79Å; I67-I90 HydrophobicContact CD1-CG1 3.91Å; I67-I90 HydrophobicContact CD1-CG2 4.46Å; I67-I90 HydrophobicContact CG1-CD1 3.66Å; I67-I90 HydrophobicContact CG1-CG1 4.27Å; I67-I100 HydrophobicContact CB-CD1 4.37Å; I67-I100 HydrophobicContact CG1-CD1 4.44Å; I67-I100 HydrophobicContact CG2-CD1 4.08Å
68V97.8Very high95.7Very high91 Ų9166.6 Ų66.655%0.55233%0.327SS*.Hα-helixtrans-62.9-44.4-178.3171.90000111.1A64 F65 A70 L71 Y72A64-V68 WeakPolarHBondContact O-CG2 3.25Å; A64-V68 PolarHBondContact O-N 3.43Å; F65-V68 PolarHBondContact O-N 3.04Å; V68-A70 PolarHBondContact O-N 3.41Å; V68-L71 PolarHBondContact O-N 3.29Å; V68-Y72 VanDerWaalsContact O-CB 3.29Å; V68-Y72 WeakPolarHBondContact O-CB 3.08Å; V68-Y72 PolarHBondContact O-N 3.17Å
69E98Very high95.2Very high75 Ų7565 Ų6535%0.3533%0.325SS..Hα-helixtrans-63.4-41.7178.2-72.8-68.6112.600112.3F16 F65 I67 Y72 Y73F16-E69 HydrophobicContact CD2-CB 3.38Å; F16-E69 HydrophobicContact CD2-CG 4.2Å; F16-E69 HydrophobicContact CE2-CB 3.65Å; F16-E69 HydrophobicContact CE2-CG 3.95Å; F16-E69 HydrophobicContact CG-CB 4.26Å; F65-E69 HydrophobicContact CD1-CG 4.24Å; F65-E69 HydrophobicContact CD2-CG 4.27Å; F65-E69 HydrophobicContact CE1-CG 3.83Å; F65-E69 HydrophobicContact CE2-CG 3.86Å; F65-E69 HydrophobicContact CG-CG 4.45Å; F65-E69 HydrophobicContact CZ-CG 3.62Å; F65-E69 WeakPolarHBondContact O-CB 3.37Å; F65-E69 WeakPolarHBondContact O-CG 3.33Å; F65-E69 PolarHBondContact O-N 2.73Å; I67-E69 PolarHBondContact O-N 3.23Å; E69-Y72 PolarHBondContact O-N 3.28Å; E69-Y73 WeakPolarHBondContact O-CB 3.38Å; E69-Y73 PolarHBondContact O-N 2.96Å
70A96.4Very high94.6Very high0 Ų064.1 Ų64.10%032%0.323CS..Hα-helixtrans-62.9-45.717500000111.7F16 M17 S66 I67 V68 Y72 Y73 M74 I100F16-A70 HydrophobicContact CB-CB 3.85Å; F16-A70 WeakPolarHBondContact O-CB 3.43Å; M17-A70 HydrophobicContact CG-CB 3.99Å; S66-A70 VanDerWaalsContact O-CB 3.31Å; S66-A70 WeakPolarHBondContact O-CB 3.46Å; S66-A70 PolarHBondContact O-N 3.46Å; I67-A70 PolarHBondContact O-N 2.82Å; V68-A70 PolarHBondContact O-N 3.41Å; A70-Y72 VanDerWaalsContact C-N 3.34Å; A70-Y72 PolarHBondContact O-N 3.32Å; A70-Y73 PolarHBondContact O-N 3.47Å; A70-M74 VanDerWaalsContact O-CG 3.29Å; A70-M74 WeakPolarHBondContact O-CG 3.35Å; A70-M74 PolarHBondContact O-N 3.46Å; A70-I100 HydrophobicContact CB-CB 4.25Å; A70-I100 HydrophobicContact CB-CD1 3.56Å; A70-I100 HydrophobicContact CB-CG1 3.75Å
71L95.1Very high94.1Very high56 Ų5665.5 Ų65.529%0.29333%0.328SS..Hα-helixtrans-65.5-37.5177.8-67.9174.5000112.1I67 V68 M74 K75 H82 V85 I100I67-L71 HydrophobicContact CG2-CD1 3.78Å; I67-L71 HydrophobicContact CG2-CG 4.35Å; I67-L71 WeakPolarHBondContact O-CB 3.48Å; I67-L71 VanDerWaalsContact O-CG 3.25Å; I67-L71 WeakPolarHBondContact O-CG 3.5Å; I67-L71 PolarHBondContact O-N 3.43Å; V68-L71 PolarHBondContact O-N 3.29Å; L71-M74 HydrophobicContact CD2-SD 4.35Å; L71-M74 PolarHBondContact O-N 3.31Å; L71-K75 WeakPolarHBondContact O-CB 3.5Å; L71-K75 PolarHBondContact O-N 3.42Å; L71-H82 HydrophobicContact CD2-CB 3.69Å; L71-V85 HydrophobicContact CD1-CG2 4.17Å; L71-V85 HydrophobicContact CD2-CG2 3.79Å; L71-I100 HydrophobicContact CD2-CD1 4.27Å; L71-I100 HydrophobicContact CG-CD1 4.13Å
72Y96.2Very high93.6Very high144 Ų14463 Ų6357%0.56531%0.31SS*.Hα-helixtrans-62-49.7174.2177.8-100.3000110.9V68 E69 A70 M74 K75 V76V68-Y72 VanDerWaalsContact O-CB 3.29Å; V68-Y72 WeakPolarHBondContact O-CB 3.08Å; V68-Y72 PolarHBondContact O-N 3.17Å; E69-Y72 PolarHBondContact O-N 3.28Å; A70-Y72 VanDerWaalsContact C-N 3.34Å; A70-Y72 PolarHBondContact O-N 3.32Å; Y72-M74 VanDerWaalsContact C-N 3.35Å; Y72-M74 PolarHBondContact O-N 3.03Å; Y72-K75 PolarHBondContact O-N 2.9Å; Y72-K75 VanDerWaalsContact O-N 3.14Å; Y72-V76 HydrophobicContact CD2-CG2 3.95Å; Y72-V76 HydrophobicContact CE1-CG2 4.16Å; Y72-V76 HydrophobicContact CE2-CG2 3.56Å; Y72-V76 HydrophobicContact CG-CG2 4.4Å; Y72-V76 WeakPolarHBondContact O-CB 3.26Å; Y72-V76 WeakPolarHBondContact O-CG2 3.45Å; Y72-V76 PolarHBondContact O-N 3.19Å
73Y94.7Very high92.9Very high33 Ų3365.1 Ų65.113%0.12932%0.318CS..Hα-helixtrans-58.1-46175.4175.5-91.4000111.7K10 N13 C14 M17 E69 A70 K75 V76 E77 L78K10-Y73 PolarHBondContact O-OH 2.86Å; N13-Y73 HydrophobicContact CB-CE2 4.33Å; N13-Y73 WeakPolarHBondContact CB-OH 3.39Å; C14-Y73 HydrophobicContact CB-CD1 3.62Å; C14-Y73 HydrophobicContact CB-CD2 4.06Å; C14-Y73 HydrophobicContact CB-CE1 3.87Å; C14-Y73 HydrophobicContact CB-CE2 4.32Å; C14-Y73 HydrophobicContact CB-CG 3.71Å; M17-Y73 HydrophobicContact SD-CD1 3.36Å; M17-Y73 WeakPolarHBondContact SD-CD1 3.26Å; M17-Y73 HydrophobicContact SD-CE1 3.76Å; M17-Y73 HydrophobicContact SD-CG 4.44Å; E69-Y73 WeakPolarHBondContact O-CB 3.38Å; E69-Y73 PolarHBondContact O-N 2.96Å; A70-Y73 PolarHBondContact O-N 3.47Å; Y73-K75 VanDerWaalsContact C-N 3.28Å; Y73-K75 PolarHBondContact O-N 3.07Å; Y73-V76 PolarHBondContact O-N 2.91Å; Y73-E77 HydrophobicContact CD2-CB 3.82Å; Y73-E77 HydrophobicContact CD2-CG 3.49Å; Y73-E77 VanDerWaalsContact CD2-CG 3.49Å; Y73-E77 HydrophobicContact CE1-CB 4.45Å; Y73-E77 HydrophobicContact CE2-CB 3.59Å; Y73-E77 HydrophobicContact CE2-CG 3.53Å; Y73-E77 HydrophobicContact CG-CB 4.32Å; Y73-E77 HydrophobicContact CG-CG 4.29Å; Y73-E77 WeakPolarHBondContact O-CB 3.24Å; Y73-E77 PolarHBondContact O-N 3.01Å; Y73-L78 HydrophobicContact CD1-CD1 4.28Å; Y73-L78 HydrophobicContact CD1-CG 4.36Å; Y73-L78 HydrophobicContact CE1-CD1 3.82Å; Y73-L78 HydrophobicContact CE1-CD2 4.16Å; Y73-L78 HydrophobicContact CE1-CG 3.86Å; Y73-L78 PolarHBondContact O-N 3.15Å
74M91.4Very high92.4Very high1 Ų166 Ų661%0.00532%0.323CS..Hα-helixtrans-57.2-43.6175.9-73179.66400112M17 A70 L71 Y72 L78 N79 L80 H82 F103M17-M74 HydrophobicContact CE-CG 3.64Å; M17-M74 HydrophobicContact CE-SD 4.13Å; M17-M74 HydrophobicContact SD-CG 3.86Å; A70-M74 VanDerWaalsContact O-CG 3.29Å; A70-M74 WeakPolarHBondContact O-CG 3.35Å; A70-M74 PolarHBondContact O-N 3.46Å; L71-M74 HydrophobicContact CD2-SD 4.35Å; L71-M74 PolarHBondContact O-N 3.31Å; Y72-M74 VanDerWaalsContact C-N 3.35Å; Y72-M74 PolarHBondContact O-N 3.03Å; M74-L78 CarbonylContact O-C 3.43Å; M74-L78 WeakPolarHBondContact O-CA 3.46Å; M74-L78 WeakPolarHBondContact O-CB 3.5Å; M74-L78 PolarHBondContact O-N 3.29Å; M74-N79 PolarHBondContact O-N 3.27Å; M74-L80 CarbonylContact C-O 3.57Å; M74-L80 HydrophobicContact CE-CB 4.25Å; M74-L80 PolarHBondContact O-N 2.77Å; M74-H82 HydrophobicContact CE-CB 3.78Å; M74-H82 HydrophobicContact SD-CB 4.1Å; M74-F103 HydrophobicContact CE-CB 3.46Å; M74-F103 VanDerWaalsContact CE-CB 3.46Å; M74-F103 HydrophobicContact CE-CG 4.35Å; M74-F103 HydrophobicContact SD-CB 3.83Å; M74-F103 HydrophobicContact SD-CG 4.37Å
75K91.1Very high92.1Very high116 Ų11666 Ų6650%0.50432%0.317SS..Hα-helixtrans-70.1-45.8-178.217956.5-177.1168.50112.1L71 Y72 Y73 N79L71-K75 WeakPolarHBondContact O-CB 3.5Å; L71-K75 PolarHBondContact O-N 3.42Å; Y72-K75 PolarHBondContact O-N 2.9Å; Y72-K75 VanDerWaalsContact O-N 3.14Å; Y73-K75 VanDerWaalsContact C-N 3.28Å; Y73-K75 PolarHBondContact O-N 3.07Å; K75-N79 WeakPolarHBondContact O-CA 3.46Å; K75-N79 PolarHBondContact O-N 2.9Å
76V93.8Very high91.9Very high75 Ų7563.3 Ų63.346%0.45531%0.305SS..Hα-helixtrans-83.7-47.6-171.51770000111.8Y72 Y73Y72-V76 HydrophobicContact CD2-CG2 3.95Å; Y72-V76 HydrophobicContact CE1-CG2 4.16Å; Y72-V76 HydrophobicContact CE2-CG2 3.56Å; Y72-V76 HydrophobicContact CG-CG2 4.4Å; Y72-V76 WeakPolarHBondContact O-CB 3.26Å; Y72-V76 WeakPolarHBondContact O-CG2 3.45Å; Y72-V76 PolarHBondContact O-N 3.19Å; Y73-V76 PolarHBondContact O-N 2.91Å
77E91.4Very high91.8Very high117 Ų11764.5 Ų64.555%0.54731%0.313SS..Hα-helixtrans-91.4-28.5-171.7-60.5-60.5145.300113.1Y73Y73-E77 HydrophobicContact CD2-CB 3.82Å; Y73-E77 HydrophobicContact CD2-CG 3.49Å; Y73-E77 VanDerWaalsContact CD2-CG 3.49Å; Y73-E77 HydrophobicContact CE1-CB 4.45Å; Y73-E77 HydrophobicContact CE2-CB 3.59Å; Y73-E77 HydrophobicContact CE2-CG 3.53Å; Y73-E77 HydrophobicContact CG-CB 4.32Å; Y73-E77 HydrophobicContact CG-CG 4.29Å; Y73-E77 WeakPolarHBondContact O-CB 3.24Å; Y73-E77 PolarHBondContact O-N 3.01Å
78L87.4Confident91.6Very high26 Ų2665.2 Ų65.214%0.13632%0.32CS..SBendtrans-109.3-13.1-177.8-50.7-178.3000113.4A7 K10 M17 Y73 M74 L80A7-L78 HydrophobicContact CB-CD1 4.34Å; K10-L78 HydrophobicContact CB-CD2 3.6Å; K10-L78 HydrophobicContact CD-CD2 3.59Å; K10-L78 HydrophobicContact CG-CD2 4.27Å; M17-L78 HydrophobicContact CE-CD1 4.19Å; Y73-L78 HydrophobicContact CD1-CD1 4.28Å; Y73-L78 HydrophobicContact CD1-CG 4.36Å; Y73-L78 HydrophobicContact CE1-CD1 3.82Å; Y73-L78 HydrophobicContact CE1-CD2 4.16Å; Y73-L78 HydrophobicContact CE1-CG 3.86Å; Y73-L78 PolarHBondContact O-N 3.15Å; M74-L78 CarbonylContact O-C 3.43Å; M74-L78 WeakPolarHBondContact O-CA 3.46Å; M74-L78 WeakPolarHBondContact O-CB 3.5Å; M74-L78 PolarHBondContact O-N 3.29Å; L78-L80 HydrophobicContact CB-CB 4.27Å; L78-L80 HydrophobicContact CB-CD1 4.13Å; L78-L80 HydrophobicContact CB-CG 4.11Å; L78-L80 PolarHBondContact O-N 3.15Å
79N85.5Confident91.5Very high121 Ų12161.1 Ų61.165%0.64730%0.295SS*.  trans50.341.4-169.5-168.335000112.8M74 K75M74-N79 PolarHBondContact O-N 3.27Å; K75-N79 WeakPolarHBondContact O-CA 3.46Å; K75-N79 PolarHBondContact O-N 2.9Å
80L85Confident91.5Very high36 Ų3657.7 Ų57.719%0.18828%0.279CS..  trans-118153.2-179.7-71.3179.8000111.9A7 M74 L78A7-L80 HydrophobicContact CB-CD1 3.25Å; M74-L80 CarbonylContact C-O 3.57Å; M74-L80 HydrophobicContact CE-CB 4.25Å; M74-L80 PolarHBondContact O-N 2.77Å; L78-L80 HydrophobicContact CB-CB 4.27Å; L78-L80 HydrophobicContact CB-CD1 4.13Å; L78-L80 HydrophobicContact CB-CG 4.11Å; L78-L80 PolarHBondContact O-N 3.15Å
81M85.4Confident91.6Very high114 Ų11459.1 Ų59.156%0.56229%0.287SS*.  trans-113.2137.9168.4-66.5-174.9-73.100108.8R83M81-R83 HydrophobicContact CB-CG 4.05Å
82H87.2Confident91.7Very high8 Ų857 Ų574%0.03728%0.276CS..  trans-69.2-43.1180-169.1-54.3000113.4L71 M74 D84 V85 I100 C101L71-H82 HydrophobicContact CD2-CB 3.69Å; M74-H82 HydrophobicContact CE-CB 3.78Å; M74-H82 HydrophobicContact SD-CB 4.1Å; H82-D84 PolarHBondContact CE1-O 2.96Å; H82-D84 VanDerWaalsContact CE1-O 3.31Å; H82-D84 PolarHBondContact ND1-N 2.73Å; H82-D84 PolarHBondContact O-N 3.09Å; H82-V85 HydrophobicContact CB-CG2 3.9Å; H82-I100 WeakPolarHBondContact CD2-CG2 3.38Å; H82-I100 WeakPolarHBondContact NE2-CG2 3.38Å; H82-C101 PolarHBondContact CE1-O 3.32Å; H82-C101 PolarHBondContact NE2-O 3.43Å
83R84.9Confident91.8Very high163 Ų16351.3 Ų51.362%0.61526%0.255SS*.  trans62.6-0.2179.4-56.7-179.2175.9163.7-1.2117.5M81M81-R83 HydrophobicContact CB-CG 4.05Å
84D86.8Confident91.9Very high28 Ų2860.7 Ų60.715%0.1529%0.29CS..  trans-146.747.9-177.9-16837.3000110.6H82 K86 N89H82-D84 PolarHBondContact CE1-O 2.96Å; H82-D84 VanDerWaalsContact CE1-O 3.31Å; H82-D84 PolarHBondContact ND1-N 2.73Å; H82-D84 PolarHBondContact O-N 3.09Å; D84-K86 PolarHBondContact O-N 2.94Å; D84-K86 WeakPolarHBondContact OD1-CE 3.31Å; D84-K86 IonicContact OD1-NZ 2.73Å; D84-K86 PolarHBondContact OD1-NZ 3.37Å; D84-K86 VanDerWaalsContact OD2-CE 3.26Å; D84-K86 WeakPolarHBondContact OD2-CE 3.42Å; D84-K86 IonicContact OD2-NZ 3.28Å; D84-K86 PolarHBondContact OD2-NZ 2.7Å; D84-N89 PolarHBondContact O-ND2 2.57Å; D84-N89 PolarHBondContact OD2-ND2 3.5Å
85V91.6Very high92.2Very high50 Ų5069 Ų6930%0.30333%0.326SS..  trans-77112.9177-177.40000108.3I67 L71 H82I67-V85 HydrophobicContact CG2-CG1 4.16Å; L71-V85 HydrophobicContact CD1-CG2 4.17Å; L71-V85 HydrophobicContact CD2-CG2 3.79Å; H82-V85 HydrophobicContact CB-CG2 3.9Å
86K93.8Very high92.4Very high41 Ų4166.4 Ų66.418%0.17833%0.333CS..SBendtrans-154.6160.217961.4-173.8178.4-145.40109.9D84 S88 N89 C121 Y124D84-K86 PolarHBondContact O-N 2.94Å; D84-K86 WeakPolarHBondContact OD1-CE 3.31Å; D84-K86 IonicContact OD1-NZ 2.73Å; D84-K86 PolarHBondContact OD1-NZ 3.37Å; D84-K86 VanDerWaalsContact OD2-CE 3.26Å; D84-K86 WeakPolarHBondContact OD2-CE 3.42Å; D84-K86 IonicContact OD2-NZ 3.28Å; D84-K86 PolarHBondContact OD2-NZ 2.7Å; K86-S88 WeakPolarHBondContact CD-OG 3.26Å; K86-S88 WeakPolarHBondContact CE-OG 3.35Å; K86-S88 WeakPolarHBondContact CG-OG 3.44Å; K86-S88 PolarHBondContact O-N 3.47Å; K86-N89 WeakPolarHBondContact CE-OD1 3.4Å; K86-N89 HydrophobicContact CG-CB 4.39Å; K86-N89 PolarHBondContact O-N 2.85Å; K86-C121 HydrophobicContact CD-CB 4.41Å; K86-Y124 HydrophobicContact CB-CD1 4.42Å; K86-Y124 HydrophobicContact CB-CD2 3.81Å; K86-Y124 HydrophobicContact CB-CE1 4.28Å; K86-Y124 HydrophobicContact CB-CE2 3.65Å; K86-Y124 HydrophobicContact CB-CG 4.21Å; K86-Y124 HydrophobicContact CD-CD2 4.48Å; K86-Y124 HydrophobicContact CD-CE2 4.39Å
87P96.1Very high92.6Very high30 Ų3066 Ų6620%0.19533%0.326CS..G310 helixtrans-55.1-27.2-175.9-28.936.8000115.1L41 D42 Y45 N89 I90L41-P87 HydrophobicContact CB-CB 4.4Å; L41-P87 WeakPolarHBondContact CB-O 3.47Å; L41-P87 HydrophobicContact CD2-CB 4.47Å; L41-P87 HydrophobicContact CG-CB 4.41Å; L41-P87 PolarHBondContact N-O 2.81Å; D42-P87 HydrophobicContact CB-CB 3.85Å; D42-P87 PolarHBondContact N-O 3.35Å; Y45-P87 HydrophobicContact CD1-CB 4.41Å; Y45-P87 HydrophobicContact CE1-CB 4.11Å; Y45-P87 HydrophobicContact CE1-CG 4.44Å; P87-N89 VanDerWaalsContact C-N 3.27Å; P87-N89 PolarHBondContact O-N 3.11Å; P87-I90 PolarHBondContact O-N 3.33Å
88S95.1Very high93Very high45 Ų4561 Ų6132%0.31530%0.303SS..G310 helixtrans-71.8-22.3178.263.60000113.3K86K86-S88 WeakPolarHBondContact CD-OG 3.26Å; K86-S88 WeakPolarHBondContact CE-OG 3.35Å; K86-S88 WeakPolarHBondContact CG-OG 3.44Å; K86-S88 PolarHBondContact O-N 3.47Å
89N95.7Very high93.4Very high5 Ų560.5 Ų60.53%0.02730%0.299CS..G310 helixtrans-98.36.1-178.8-61.97.1000112.1D84 K86 P87 I100 C101D84-N89 PolarHBondContact O-ND2 2.57Å; D84-N89 PolarHBondContact OD2-ND2 3.5Å; K86-N89 WeakPolarHBondContact CE-OD1 3.4Å; K86-N89 HydrophobicContact CG-CB 4.39Å; K86-N89 PolarHBondContact O-N 2.85Å; P87-N89 VanDerWaalsContact C-N 3.27Å; P87-N89 PolarHBondContact O-N 3.11Å; N89-I100 WeakPolarHBondContact O-CA 3.27Å; N89-C101 VanDerWaalsContact CA-SG 3.56Å; N89-C101 PolarHBondContact O-N 2.88Å; N89-C101 PolarHBondContact O-SG 3.17Å
90I97.4Very high93.9Very high2 Ų254.9 Ų54.91%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-106.3115.4172.4-50.6-53.5000107.2S40 L41 I67 P87 I98 I100S40-I90 CarbonylContact C-O 3.48Å; S40-I90 VanDerWaalsContact CA-O 3.29Å; S40-I90 WeakPolarHBondContact CA-O 3.45Å; L41-I90 HydrophobicContact CB-CB 3.9Å; L41-I90 HydrophobicContact CB-CG2 4.13Å; L41-I90 HydrophobicContact CD2-CB 4.25Å; L41-I90 HydrophobicContact CD2-CG1 4.48Å; L41-I90 HydrophobicContact CD2-CG2 4.23Å; L41-I90 PolarHBondContact N-O 3.05Å; I67-I90 HydrophobicContact CD1-CD1 3.79Å; I67-I90 HydrophobicContact CD1-CG1 3.91Å; I67-I90 HydrophobicContact CD1-CG2 4.46Å; I67-I90 HydrophobicContact CG1-CD1 3.66Å; I67-I90 HydrophobicContact CG1-CG1 4.27Å; P87-I90 PolarHBondContact O-N 3.33Å; I90-I98 HydrophobicContact CG2-CG2 3.77Å; I90-I100 HydrophobicContact CD1-CD1 4.23Å; I90-I100 HydrophobicContact CD1-CG1 3.79Å
91L98.3Very high94.3Very high30 Ų3053.5 Ų53.516%0.15726%0.262CS..EExtended strand (participates in β ladder)trans-105.6146.6-175.9-54.9-170.7000111.5V18 M37 T39 I98 K99 C101V18-L91 HydrophobicContact CG2-CD1 3.92Å; V18-L91 HydrophobicContact CG2-CG 4.5Å; M37-L91 HydrophobicContact CB-CB 3.61Å; M37-L91 HydrophobicContact CB-CD1 3.9Å; M37-L91 HydrophobicContact CB-CG 4.36Å; M37-L91 HydrophobicContact CE-CB 4.16Å; M37-L91 HydrophobicContact CG-CB 3.6Å; M37-L91 HydrophobicContact CG-CD1 3.78Å; M37-L91 HydrophobicContact CG-CG 4.36Å; T39-L91 WeakPolarHBondContact O-CA 3.26Å; L91-I98 WeakPolarHBondContact O-CA 3.26Å; L91-K99 PolarHBondContact N-O 3.35Å; L91-K99 PolarHBondContact O-N 3.37Å; L91-C101 HydrophobicContact CD1-CB 3.84Å; L91-C101 HydrophobicContact CG-CB 4.13Å
92L98.2Very high94Very high12 Ų1251.4 Ų51.46%0.06325%0.254CS..EExtended strand (participates in β ladder)trans-127.5148.6-175.2-54.6174000109.8D38 T39 L41 F44 F59 E97 I98D38-L92 PolarHBondContact N-O 2.92Å; T39-L92 HydrophobicContact CG2-CB 4.07Å; T39-L92 HydrophobicContact CG2-CD1 4.31Å; T39-L92 PolarHBondContact N-O 3.4Å; T39-L92 VanDerWaalsContact N-O 3.16Å; T39-L92 PolarHBondContact O-N 3.26Å; L41-L92 HydrophobicContact CB-CD1 4.45Å; L41-L92 HydrophobicContact CD1-CD1 4.16Å; F44-L92 HydrophobicContact CB-CD1 3.74Å; F44-L92 HydrophobicContact CD1-CD1 4.07Å; F44-L92 HydrophobicContact CD2-CD1 4.3Å; F44-L92 HydrophobicContact CG-CD1 3.77Å; F59-L92 HydrophobicContact CZ-CD1 3.93Å; F59-L92 HydrophobicContact CZ-CD2 4.05Å; L92-E97 WeakPolarHBondContact CA-O 3.19Å; L92-I98 HydrophobicContact CD2-CB 4.22Å; L92-I98 HydrophobicContact CD2-CG1 3.73Å; L92-I98 HydrophobicContact CD2-CG2 3.97Å
93N97.8Very high93.2Very high24 Ų2451.6 Ų51.613%0.12825%0.254CS..  trans-138168.4170.373.721.6000113.2M37 D38 K95 G96 E97M37-N93 HydrophobicContact CE-CB 3.98Å; M37-N93 HydrophobicContact SD-CB 4.21Å; D38-N93 HydrophobicContact CB-CB 4.47Å; D38-N93 WeakPolarHBondContact OD2-CA 3.45Å; D38-N93 VanDerWaalsContact OD2-CB 3.27Å; D38-N93 WeakPolarHBondContact OD2-CB 3.41Å; N93-K95 PolarHBondContact O-N 3.12Å; N93-K95 VanDerWaalsContact O-N 3.17Å; N93-K95 WeakPolarHBondContact OD1-CA 3.17Å; N93-K95 WeakPolarHBondContact OD1-CB 3.46Å; N93-K95 PolarHBondContact OD1-N 2.9Å; N93-G96 PolarHBondContact O-N 3.36Å; N93-G96 PolarHBondContact OD1-N 2.88Å; N93-E97 PolarHBondContact N-O 2.7Å; N93-E97 PolarHBondContact ND2-OE2 3.04Å; N93-E97 WeakPolarHBondContact OD1-CB 3.41Å; N93-E97 PolarHBondContact OD1-N 2.91Å; N93-E97 VanDerWaalsContact OD1-N 3.1Å
94R96.8Very high92Very high230 Ų23044.7 Ų44.787%0.86823%0.233SC*.THydrogen-bonded Turntrans-66.6-11.7-179-69.8174.5-171.2-86.70.3113.7D38D38-R94 WeakPolarHBondContact OD2-CG 3.09Å; D38-R94 PolarHBondContact OD2-N 3.45Å
95K97.1Very high90.5Very high176 Ų17644.4 Ų44.477%0.76523%0.232SC*.THydrogen-bonded Turntrans-82.3-4.1172.3-56.2176.6-176.2170.70112.3N93 E97N93-K95 PolarHBondContact O-N 3.12Å; N93-K95 VanDerWaalsContact O-N 3.17Å; N93-K95 WeakPolarHBondContact OD1-CA 3.17Å; N93-K95 WeakPolarHBondContact OD1-CB 3.46Å; N93-K95 PolarHBondContact OD1-N 2.9Å; K95-E97 HydrophobicContact CB-CG 4.24Å
96G95.9Very high88.6Confident62 Ų6243.6 Ų43.664%0.63923%0.229SC*.  trans82.314.4-177.300000113.7N93N93-G96 PolarHBondContact O-N 3.36Å; N93-G96 PolarHBondContact OD1-N 2.88Å
97E97.8Very high86.5Confident66 Ų6642.8 Ų42.831%0.30823%0.231SC..  trans-81.7140.8177-58.2174.2110.700110.5M37 L92 N93 K95 K99M37-E97 HydrophobicContact CE-CB 4.38Å; L92-E97 WeakPolarHBondContact CA-O 3.19Å; N93-E97 PolarHBondContact N-O 2.7Å; N93-E97 PolarHBondContact ND2-OE2 3.04Å; N93-E97 WeakPolarHBondContact OD1-CB 3.41Å; N93-E97 PolarHBondContact OD1-N 2.91Å; N93-E97 VanDerWaalsContact OD1-N 3.1Å; K95-E97 HydrophobicContact CB-CG 4.24Å; E97-K99 IonicContact OE1-NZ 2.7Å; E97-K99 PolarHBondContact OE1-NZ 2.83Å
98I98.4Very high84.2Confident12 Ų1245.4 Ų45.46%0.06224%0.241CC..EExtended strand (participates in β ladder)trans-126117.2178.8-54.1169.8000106.7R62 V63 I90 L91 L92R62-I98 HydrophobicContact CB-CD1 3.89Å; V63-I98 HydrophobicContact CB-CD1 4.43Å; V63-I98 HydrophobicContact CG2-CD1 3.81Å; I90-I98 HydrophobicContact CG2-CG2 3.77Å; L91-I98 WeakPolarHBondContact O-CA 3.26Å; L92-I98 HydrophobicContact CD2-CB 4.22Å; L92-I98 HydrophobicContact CD2-CG1 3.73Å; L92-I98 HydrophobicContact CD2-CG2 3.97Å
99K97.8Very high81.9Confident16 Ų1645.5 Ų45.57%0.0724%0.238CC..EExtended strand (participates in β ladder)trans-135.4140.6-171.9-60.7-173.4179.2-178.90112.2P15 F16 V18 E35 M37 L91 E97P15-K99 WeakPolarHBondContact O-CE 3.48Å; F16-K99 CarbonylContact O-C 3.56Å; F16-K99 VanDerWaalsContact O-CA 3.3Å; F16-K99 WeakPolarHBondContact O-CA 3.25Å; V18-K99 HydrophobicContact CG2-CB 3.77Å; E35-K99 IonicContact OE1-NZ 3.45Å; E35-K99 PolarHBondContact OE1-NZ 2.99Å; E35-K99 IonicContact OE2-NZ 2.7Å; E35-K99 PolarHBondContact OE2-NZ 2.77Å; M37-K99 HydrophobicContact CE-CB 4.15Å; M37-K99 HydrophobicContact CE-CD 4.23Å; M37-K99 HydrophobicContact CE-CG 4.07Å; M37-K99 HydrophobicContact SD-CD 4.22Å; L91-K99 PolarHBondContact N-O 3.35Å; L91-K99 PolarHBondContact O-N 3.37Å; E97-K99 IonicContact OE1-NZ 2.7Å; E97-K99 PolarHBondContact OE1-NZ 2.83Å
100I95.4Very high79.5Confident2 Ų248.7 Ų48.71%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-81.6135.9172.1-60-164.2000110.4F16 V18 I67 A70 L71 H82 N89 I90F16-I100 PolarHBondContact O-N 2.7Å; V18-I100 WeakPolarHBondContact CG2-O 3.3Å; V18-I100 PolarHBondContact N-O 2.85Å; I67-I100 HydrophobicContact CB-CD1 4.37Å; I67-I100 HydrophobicContact CG1-CD1 4.44Å; I67-I100 HydrophobicContact CG2-CD1 4.08Å; A70-I100 HydrophobicContact CB-CB 4.25Å; A70-I100 HydrophobicContact CB-CD1 3.56Å; A70-I100 HydrophobicContact CB-CG1 3.75Å; L71-I100 HydrophobicContact CD2-CD1 4.27Å; L71-I100 HydrophobicContact CG-CD1 4.13Å; H82-I100 WeakPolarHBondContact CD2-CG2 3.38Å; H82-I100 WeakPolarHBondContact NE2-CG2 3.38Å; N89-I100 WeakPolarHBondContact O-CA 3.27Å; I90-I100 HydrophobicContact CD1-CD1 4.23Å; I90-I100 HydrophobicContact CD1-CG1 3.79Å
101C92.2Very high77Confident7 Ų751.9 Ų51.95%0.04728%0.275CS..  trans-116.7178.9170.972.10000112.1V18 H82 N89 L91 F103V18-C101 HydrophobicContact CB-CB 4.24Å; V18-C101 HydrophobicContact CG2-CB 3.8Å; H82-C101 PolarHBondContact CE1-O 3.32Å; H82-C101 PolarHBondContact NE2-O 3.43Å; N89-C101 VanDerWaalsContact CA-SG 3.56Å; N89-C101 PolarHBondContact O-N 2.88Å; N89-C101 PolarHBondContact O-SG 3.17Å; L91-C101 HydrophobicContact CD1-CB 3.84Å; L91-C101 HydrophobicContact CG-CB 4.13Å; C101-F103 PolarHBondContact O-N 3.24Å; C101-F103 VanDerWaalsContact O-N 3.15Å
102D80.8Confident74.5Confident71 Ų7155.1 Ų55.138%0.3830%0.3SS..  trans59.224.1173.9-60.2-28.5000116.9S106D102-S106 PolarHBondContact O-OG 3.22Å
103F69.5Low71.8Confident12 Ų1261.8 Ų61.85%0.05334%0.335CS..THydrogen-bonded Turntrans-77135.5172.652.8-86.9000111.7M17 M74 C101 I105M17-F103 HydrophobicContact CB-CE1 4.33Å; M17-F103 HydrophobicContact CE-CD1 3.73Å; M17-F103 HydrophobicContact CE-CD2 3.4Å; M17-F103 VanDerWaalsContact CE-CD2 3.4Å; M17-F103 HydrophobicContact CE-CE1 3.66Å; M17-F103 HydrophobicContact CE-CE2 3.31Å; M17-F103 HydrophobicContact CE-CG 3.64Å; M17-F103 HydrophobicContact CE-CZ 3.49Å; M17-F103 VanDerWaalsContact CE-CZ 3.49Å; M74-F103 HydrophobicContact CE-CB 3.46Å; M74-F103 VanDerWaalsContact CE-CB 3.46Å; M74-F103 HydrophobicContact CE-CG 4.35Å; M74-F103 HydrophobicContact SD-CB 3.83Å; M74-F103 HydrophobicContact SD-CG 4.37Å; C101-F103 PolarHBondContact O-N 3.24Å; C101-F103 VanDerWaalsContact O-N 3.15Å; F103-I105 PolarHBondContact O-N 3.36Å
104G58.9Low69.1Low17 Ų1762.4 Ų62.418%0.17534%0.343CS..THydrogen-bonded Turntrans76.1-38.8170.400000115.9E4E4-G104 VanDerWaalsContact CG-O 3.3Å; E4-G104 WeakPolarHBondContact CG-O 3.45Å
105I56.8Low66.3Low22 Ų2261.5 Ų61.511%0.11335%0.346CS..Hα-helixtrans-78-39.9-176-60.9173.9000111.5E4 L32 F103 L109E4-I105 HydrophobicContact CB-CG1 4.46Å; L32-I105 HydrophobicContact CD1-CD1 3.88Å; L32-I105 HydrophobicContact CD1-CG2 3.95Å; L32-I105 HydrophobicContact CD2-CD1 4.22Å; F103-I105 PolarHBondContact O-N 3.36Å; I105-L109 HydrophobicContact CG2-CD1 3.25Å; I105-L109 HydrophobicContact CG2-CG 3.88Å; I105-L109 WeakPolarHBondContact O-CB 3.37Å; I105-L109 VanDerWaalsContact O-CG 3.31Å; I105-L109 WeakPolarHBondContact O-CG 3.21Å; I105-L109 PolarHBondContact O-N 2.93Å
106S50.6Low63.4Low34 Ų3457.4 Ų57.424%0.23834%0.335CS..Hα-helixtrans-65.9-50.1-172.854.90000112.2D102 H108 T110D102-S106 PolarHBondContact O-OG 3.22Å; S106-H108 PolarHBondContact O-N 3.17Å; S106-T110 WeakPolarHBondContact O-CB 3.46Å; S106-T110 PolarHBondContact O-N 3.41Å; S106-T110 PolarHBondContact O-OG1 2.87Å
107G50.2Low61Low23 Ų2362.6 Ų62.624%0.23735%0.346CS..Hα-helixtrans-59.2-46.8-175.600000113.5T110 D111G107-T110 PolarHBondContact O-OG1 2.83Å; G107-D111 PolarHBondContact O-N 3.49Å; G107-D111 VanDerWaalsContact O-OD2 3.08Å
108H47.3Very low58.6Low85 Ų8565.5 Ų65.539%0.39436%0.364SS..Hα-helixtrans-92.8-20.7-177.2-77.4-43.7000115E4 S106 D111 S112E4-H108 WeakPolarHBondContact OE1-CB 3.44Å; E4-H108 IonicContact OE1-CD2 3.51Å; S106-H108 PolarHBondContact O-N 3.17Å; H108-D111 IonicContact CE1-OD2 2.96Å; H108-D111 PolarHBondContact CE1-OD2 3.42Å; H108-D111 IonicContact CG-OD2 3.85Å; H108-D111 IonicContact ND1-OD2 3.22Å; H108-D111 PolarHBondContact ND1-OD2 2.55Å; H108-D111 PolarHBondContact O-N 2.84Å; H108-S112 WeakPolarHBondContact O-CA 3.31Å; H108-S112 WeakPolarHBondContact O-CB 3.49Å; H108-S112 PolarHBondContact O-N 3.03Å; H108-S112 PolarHBondContact O-OG 2.63Å
109L47.5Very low56.2Low47 Ų4767.7 Ų67.725%0.24638%0.384CS..Hα-helixtrans-68.8-39163.6-73.7-176.7000110.5M1 I105 S112 L113M1-L109 HydrophobicContact CE-CD2 4.43Å; I105-L109 HydrophobicContact CG2-CD1 3.25Å; I105-L109 HydrophobicContact CG2-CG 3.88Å; I105-L109 WeakPolarHBondContact O-CB 3.37Å; I105-L109 VanDerWaalsContact O-CG 3.31Å; I105-L109 WeakPolarHBondContact O-CG 3.21Å; I105-L109 PolarHBondContact O-N 2.93Å; L109-S112 PolarHBondContact O-N 3.37Å; L109-L113 HydrophobicContact CB-CD1 4.41Å; L109-L113 VanDerWaalsContact O-CB 3.32Å; L109-L113 WeakPolarHBondContact O-CB 2.98Å; L109-L113 WeakPolarHBondContact O-CD1 3.19Å; L109-L113 PolarHBondContact O-N 2.9Å
110T43.8Very low53.9Low73 Ų7368.9 Ų68.945%0.44840%0.401SS..Hα-helixtrans-64.2-40.4169.343.30000111.3S106 G107 S112 A114S106-T110 WeakPolarHBondContact O-CB 3.46Å; S106-T110 PolarHBondContact O-N 3.41Å; S106-T110 PolarHBondContact O-OG1 2.87Å; G107-T110 PolarHBondContact O-OG1 2.83Å; T110-S112 VanDerWaalsContact C-N 3.35Å; T110-S112 PolarHBondContact O-N 2.78Å; T110-A114 WeakPolarHBondContact O-CA 3.23Å; T110-A114 WeakPolarHBondContact O-CB 3.12Å; T110-A114 PolarHBondContact O-N 2.92Å
111D46.5Very low52Low69 Ų6970.7 Ų70.737%0.36941%0.413SS..Hα-helixtrans-67.6-31.2173.7-62.6-31.2000113.8G107 H108G107-D111 PolarHBondContact O-N 3.49Å; G107-D111 VanDerWaalsContact O-OD2 3.08Å; H108-D111 IonicContact CE1-OD2 2.96Å; H108-D111 PolarHBondContact CE1-OD2 3.42Å; H108-D111 IonicContact CG-OD2 3.85Å; H108-D111 IonicContact ND1-OD2 3.22Å; H108-D111 PolarHBondContact ND1-OD2 2.55Å; H108-D111 PolarHBondContact O-N 2.84Å
112S45.9Very low50.4Low98 Ų9877.6 Ų77.669%0.68544%0.442SS*.Hα-helixtrans-82.4-31.5-177.8-600000112.7H108 L109 T110H108-S112 WeakPolarHBondContact O-CA 3.31Å; H108-S112 WeakPolarHBondContact O-CB 3.49Å; H108-S112 PolarHBondContact O-N 3.03Å; H108-S112 PolarHBondContact O-OG 2.63Å; L109-S112 PolarHBondContact O-N 3.37Å; T110-S112 VanDerWaalsContact C-N 3.35Å; T110-S112 PolarHBondContact O-N 2.78Å
113L40.9Very low49.9Very low151 Ų15179 Ų7979%0.79146%0.455SS*.Hα-helixtrans-89.8-29.4172.7-83.2125.1000112.6L109L109-L113 HydrophobicContact CB-CD1 4.41Å; L109-L113 VanDerWaalsContact O-CB 3.32Å; L109-L113 WeakPolarHBondContact O-CB 2.98Å; L109-L113 WeakPolarHBondContact O-CD1 3.19Å; L109-L113 PolarHBondContact O-N 2.9Å
114A40.7Very low49.9Very low37 Ų3784.3 Ų84.331%0.30648%0.476SS..  trans-113.394.418000000109.9T110 T116T110-A114 WeakPolarHBondContact O-CA 3.23Å; T110-A114 WeakPolarHBondContact O-CB 3.12Å; T110-A114 PolarHBondContact O-N 2.92Å; A114-T116 PolarHBondContact O-N 2.66Å
115K37.3Very low50.4Low212 Ų21285.8 Ų85.892%0.92248%0.479SS*.  trans-63.450.4150-77.5-177.6172.5178.20110.9
116T38.1Very low51.2Low90 Ų9087.1 Ų87.155%0.55249%0.493SS*.  trans-139.280.6-172.1-39.60000109.2A114 N118A114-T116 PolarHBondContact O-N 2.66Å; T116-N118 PolarHBondContact O-N 3Å
117I44.3Very low52.3Low170 Ų17091.9 Ų91.987%0.87252%0.52SS*.SBendtrans19.81.5147.1-37.3-177.2000120.9
118N48.7Very low53.5Low128 Ų12894.9 Ų94.968%0.68454%0.538SS*.  trans-137.536.9-165.7-76.3-29.6000113.2T116 G120T116-N118 PolarHBondContact O-N 3Å; N118-G120 PolarHBondContact O-N 2.76Å
119A46.3Very low54.2Low58 Ų5895.1 Ų95.148%0.47954%0.542SS..  trans-73.2110.8178.400000111.5
120G50.2Low54.6Low40 Ų4099.6 Ų99.641%0.41256%0.557SS.*SBendtrans152.6151.3174.900000112.8N118 K122N118-G120 PolarHBondContact O-N 2.76Å; G120-K122 PolarHBondContact O-N 3.43Å
121C55.9Low54.6Low41 Ų41103.2 Ų103.228%0.27759%0.594SS.*  trans-87.5103.2173.6-155.80000108.7K86 P123 Y124K86-C121 HydrophobicContact CD-CB 4.41Å; C121-P123 VanDerWaalsContact C-N 3.29Å; C121-P123 WeakPolarHBondContact O-CD 3.38Å; C121-Y124 HydrophobicContact CB-CD2 4.1Å; C121-Y124 PolarHBondContact O-N 3.32Å
122K59.1Low55Low151 Ų151105 Ų10566%0.65761%0.606SS**THydrogen-bonded Turntrans-42.4-36.3-172.6-69.8-174.5178.7-177.80116.8G120 Y124 Y130G120-K122 PolarHBondContact O-N 3.43Å; K122-Y124 VanDerWaalsContact C-N 3.34Å; K122-Y124 PolarHBondContact O-N 3.43Å; K122-Y130 PolarHBondContact O-OH 3.07Å
123P69.5Low55.5Low100 Ų100105.3 Ų105.365%0.64960%0.601SS**THydrogen-bonded Turntrans-78.3-10.3179.625-30.4000115.5C121C121-P123 VanDerWaalsContact C-N 3.29Å; C121-P123 WeakPolarHBondContact O-CD 3.38Å
124Y69.5Low56.3Low124 Ų124102.8 Ų102.849%0.48659%0.591SS.*THydrogen-bonded Turntrans-118.4-0.1-173.6-56.5-77.5000114.2K86 C121 K122K86-Y124 HydrophobicContact CB-CD1 4.42Å; K86-Y124 HydrophobicContact CB-CD2 3.81Å; K86-Y124 HydrophobicContact CB-CE1 4.28Å; K86-Y124 HydrophobicContact CB-CE2 3.65Å; K86-Y124 HydrophobicContact CB-CG 4.21Å; K86-Y124 HydrophobicContact CD-CD2 4.48Å; K86-Y124 HydrophobicContact CD-CE2 4.39Å; C121-Y124 HydrophobicContact CB-CD2 4.1Å; C121-Y124 PolarHBondContact O-N 3.32Å; K122-Y124 VanDerWaalsContact C-N 3.34Å; K122-Y124 PolarHBondContact O-N 3.43Å
125M69.1Low57.2Low49 Ų49106.6 Ų106.624%0.24161%0.608CS.*SBendtrans-75.1146.5179.4-72.4174.966.800111.3D129 Y130M125-D129 HydrophobicContact CB-CB 4.25Å; M125-D129 HydrophobicContact CE-CB 3.41Å; M125-D129 VanDerWaalsContact CE-CB 3.41Å; M125-D129 VanDerWaalsContact CE-O 3.27Å; M125-D129 WeakPolarHBondContact CE-O 3.47Å; M125-Y130 HydrophobicContact CB-CE2 4.1Å
126A73.4Confident58.4Low50 Ų50100.1 Ų100.141%0.41359%0.588SS.*  trans-68.4153.1173.700000109.8S128 D129 Y130A126-S128 PolarHBondContact O-N 2.85Å; A126-S128 VanDerWaalsContact O-N 3.11Å; A126-D129 PolarHBondContact N-OD2 2.87Å; A126-D129 VanDerWaalsContact N-OD2 3.17Å; A126-D129 WeakPolarHBondContact O-CB 3.32Å; A126-D129 PolarHBondContact O-N 2.71Å; A126-Y130 VanDerWaalsContact O-CD2 3.31Å; A126-Y130 WeakPolarHBondContact O-CD2 3.47Å
127V73.9Confident59.8Low133 Ų133100.7 Ų100.781%0.80659%0.59SS**G310 helixtrans-56.4-31.7179.1-177.40000111.8D129 Y130V127-D129 PolarHBondContact O-N 3.02Å; V127-Y130 PolarHBondContact O-N 2.76Å
128S75Confident60.9Low87 Ų8795.8 Ų95.861%0.60857%0.57SS**G310 helixtrans-65-21.9175.753.20000114.3A126 Y130A126-S128 PolarHBondContact O-N 2.85Å; A126-S128 VanDerWaalsContact O-N 3.11Å; S128-Y130 VanDerWaalsContact C-N 3.3Å
129D62.2Low61.8Low90 Ų9093.3 Ų93.348%0.48156%0.562SS.*G310 helixtrans-88.50.7-175.1-53.3-27.2000112.3M125 A126 V127M125-D129 HydrophobicContact CB-CB 4.25Å; M125-D129 HydrophobicContact CE-CB 3.41Å; M125-D129 VanDerWaalsContact CE-CB 3.41Å; M125-D129 VanDerWaalsContact CE-O 3.27Å; M125-D129 WeakPolarHBondContact CE-O 3.47Å; A126-D129 PolarHBondContact N-OD2 2.87Å; A126-D129 VanDerWaalsContact N-OD2 3.17Å; A126-D129 WeakPolarHBondContact O-CB 3.32Å; A126-D129 PolarHBondContact O-N 2.71Å; V127-D129 PolarHBondContact O-N 3.02Å
130Y56.6Low63.1Low140 Ų14096.3 Ų96.355%0.54957%0.568SS.*G310 helixtrans-94.9-2.5173.4-64.8-93.4000113.6K122 M125 A126 V127 S128K122-Y130 PolarHBondContact O-OH 3.07Å; M125-Y130 HydrophobicContact CB-CE2 4.1Å; A126-Y130 VanDerWaalsContact O-CD2 3.31Å; A126-Y130 WeakPolarHBondContact O-CD2 3.47Å; V127-Y130 PolarHBondContact O-N 2.76Å; S128-Y130 VanDerWaalsContact C-N 3.3Å
131A43.6Very low64.3Low150 Ų150101.4 Ų101.4100%1.2458%0.583SS**  trans-98.50-178.900000111.4

Retrieved 131 of 131 residues in 40.6 ms (Link to these results)

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