A0A087YHR5_POEFO Loading...

Small acidic protein

AlphaFold DB , UniProt , Accession A0A087YHR5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 173 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
1M42Very low64.2Low244 Ų244148.9 Ų148.9100%1.20281%0.811SS**  0104.10-69.3-59.7154.700107.1
2T59.5Low64.7Low145 Ų145156.4 Ų156.489%0.8982%0.819SS**PPolyproline II helixtrans-95.4131.7-177.2-5.50000108.5
3S61.9Low64.9Low98 Ų98153.8 Ų153.869%0.68582%0.817SS**PPolyproline II helixtrans-62.1147.8-178.5-169.10000111.7E5S3-E5 PolarHBondContact O-N 3.49Å
4P62.8Low64.9Low117 Ų117149.8 Ų149.876%0.7682%0.816SS**PPolyproline II helixtrans-79.9120.8169.530.8-27.5000109.7D6P4-D6 PolarHBondContact O-N 3.28Å
5E63.7Low64.6Low160 Ų160146.7 Ų146.775%0.74881%0.81SS**PPolyproline II helixtrans-50.5127.1166.5-106.180.1-172.800111.6S3 K7S3-E5 PolarHBondContact O-N 3.49Å; E5-K7 PolarHBondContact O-N 3.4Å
6D64Low64Low125 Ų125144.6 Ų144.667%0.66881%0.805SS**  trans-74.2107.1171.7-1709.4000110.1P4 H8P4-D6 PolarHBondContact O-N 3.28Å; D6-H8 VanDerWaalsContact CG-CD2 3.45Å; D6-H8 PolarHBondContact O-N 3.15Å; D6-H8 IonicContact OD1-CD2 3.34Å; D6-H8 PolarHBondContact OD1-CD2 2.88Å; D6-H8 IonicContact OD1-CE1 3.9Å; D6-H8 IonicContact OD1-CG 3.15Å; D6-H8 IonicContact OD1-ND1 2.77Å; D6-H8 IonicContact OD1-NE2 3.96Å; D6-H8 PolarHBondContact OD1-NE2 3.49Å; D6-H8 VanDerWaalsContact OD1-NE2 3.15Å; D6-H8 IonicContact OD2-CD2 3.71Å; D6-H8 PolarHBondContact OD2-CD2 3.34Å; D6-H8 IonicContact OD2-NE2 3.44Å
7K65.3Low63.5Low188 Ų188142.4 Ų142.482%0.81780%0.802SS**  trans-100.763.6-177.4-59.5-176.1-174.5-179.90110.4E5E5-K7 PolarHBondContact O-N 3.4Å
8H70.3Confident63Low159 Ų159144.5 Ų144.574%0.73680%0.804SS**PPolyproline II helixtrans-89.1122170.7-70.4-39.7000111.1D6D6-H8 VanDerWaalsContact CG-CD2 3.45Å; D6-H8 PolarHBondContact O-N 3.15Å; D6-H8 IonicContact OD1-CD2 3.34Å; D6-H8 PolarHBondContact OD1-CD2 2.88Å; D6-H8 IonicContact OD1-CE1 3.9Å; D6-H8 IonicContact OD1-CG 3.15Å; D6-H8 IonicContact OD1-ND1 2.77Å; D6-H8 IonicContact OD1-NE2 3.96Å; D6-H8 PolarHBondContact OD1-NE2 3.49Å; D6-H8 VanDerWaalsContact OD1-NE2 3.15Å; D6-H8 IonicContact OD2-CD2 3.71Å; D6-H8 PolarHBondContact OD2-CD2 3.34Å; D6-H8 IonicContact OD2-NE2 3.44Å
9G71.9Confident62.7Low69 Ų69144.1 Ų144.171%0.71180%0.8SS**PPolyproline II helixtrans-67.8133.9-17900000112.5K11G9-K11 PolarHBondContact O-N 3.28Å
10T68.6Low62.5Low143 Ų143140.7 Ų140.788%0.87780%0.8SS**PPolyproline II helixtrans-62.2120.1178.4-35.10000110.5
11K76.1Confident62.7Low190 Ų190137.8 Ų137.883%0.82679%0.788SS**PPolyproline II helixtrans-68.7137.9171.8-63-66.8-177.4178.10109G9G9-K11 PolarHBondContact O-N 3.28Å
12R70.8Confident64Low239 Ų239128.7 Ų128.790%0.90275%0.747SS**PPolyproline II helixtrans-60.6136.7172.7-68.6-178.6173.8-177.2-2.6108.9A14R12-A14 PolarHBondContact O-N 3.46Å
13P67Low65Low122 Ų122129.8 Ų129.879%0.79274%0.741SS**PPolyproline II helixtrans-59.9138.5172.126.5-33000108.9S15P13-S15 PolarHBondContact O-N 3.21Å
14A65.1Low65.7Low98 Ų98130.5 Ų130.581%0.8173%0.729SS**PPolyproline II helixtrans-60.4122.5168.700000107.5R12R12-A14 PolarHBondContact O-N 3.46Å
15S60.1Low66.4Low104 Ų104126.1 Ų126.173%0.72770%0.703SS**PPolyproline II helixtrans-57.8132.2175.245.60000109.3P13 S17P13-S15 PolarHBondContact O-N 3.21Å; S15-S17 PolarHBondContact O-N 2.99Å
16P54.4Low67.1Low112 Ų112123.1 Ų123.173%0.72770%0.7SS**  trans-65.1111174.7-10.224.4000108.2E18P16-E18 PolarHBondContact O-N 3.15Å
17S55.8Low67.9Low108 Ų108118.7 Ų118.776%0.75568%0.68SS**  trans-78.674.9165.656.90000107.5S15 D19S15-S17 PolarHBondContact O-N 2.99Å; S17-D19 PolarHBondContact O-N 3.45Å
18E55.1Low68.8Low180 Ų180117 Ų11784%0.84168%0.68SS**  trans-76.3-6.7-177-120.5-179.9175.900113.5P16P16-E18 PolarHBondContact O-N 3.15Å
19D57.5Low69.5Low136 Ų136111.8 Ų111.873%0.72766%0.657SS**SBendtrans-118.1120.2164.6-91.6-39.7000108.8S17 S21S17-D19 PolarHBondContact O-N 3.45Å; D19-S21 PolarHBondContact O-N 2.92Å
20G58.7Low70.4Confident77 Ų77111.9 Ų111.979%0.79466%0.659SS**  trans-60.510.5169.900000114.3T22G20-T22 PolarHBondContact O-N 3.42Å
21S65.1Low71.4Confident80 Ų80107.7 Ų107.756%0.55964%0.635SS**  trans-8782.4175.2-172.70000110.1D19D19-S21 PolarHBondContact O-N 2.92Å
22T71.1Confident72Confident53 Ų53104.5 Ų104.533%0.32563%0.627SS.*  trans-58.2150.6162.2590000109.8G20 W24 A25 A44G20-T22 PolarHBondContact O-N 3.42Å; T22-W24 PolarHBondContact O-N 3.24Å; T22-A25 VanDerWaalsContact O-CB 3.24Å; T22-A25 WeakPolarHBondContact O-CB 3.3Å; T22-A25 PolarHBondContact O-N 3.43Å; T22-A44 HydrophobicContact CG2-CB 3.63Å; T22-A44 VanDerWaalsContact OG1-CB 3.26Å; T22-A44 WeakPolarHBondContact OG1-CB 3.23Å
23Q79.3Confident72.9Confident167 Ų16798.9 Ų98.978%0.7861%0.611SS**THydrogen-bonded Turntrans-53-19.9175.9-175.1179.6-35.500113S26Q23-S26 PolarHBondContact O-OG 2.94Å
24W78Confident74.1Confident114 Ų114100.8 Ų100.843%0.43260%0.602SS.*THydrogen-bonded Turntrans-77.5-22.8175.5-60.4121.9000114.5T22 S26 A27 F38 L39 M42T22-W24 PolarHBondContact O-N 3.24Å; W24-S26 PolarHBondContact O-N 3.39Å; W24-A27 WeakPolarHBondContact O-CB 3.39Å; W24-A27 PolarHBondContact O-N 3.02Å; W24-F38 HydrophobicContact CB-CD1 4.43Å; W24-F38 HydrophobicContact CB-CE1 3.7Å; W24-F38 AromaticContact CD2-CE1 3.81Å; W24-F38 HydrophobicContact CD2-CE1 3.81Å; W24-F38 AromaticContact CD2-CZ 3.8Å; W24-F38 HydrophobicContact CD2-CZ 3.8Å; W24-F38 AromaticContact CE3-CE1 3.53Å; W24-F38 HydrophobicContact CE3-CE1 3.53Å; W24-F38 AromaticContact CE3-CZ 3.39Å; W24-F38 HydrophobicContact CE3-CZ 3.39Å; W24-F38 AromaticContact CG-CE1 3.9Å; W24-F38 HydrophobicContact CG-CE1 3.9Å; W24-F38 HydrophobicContact CG-CZ 4.29Å; W24-F38 HydrophobicContact CZ3-CE1 4.4Å; W24-F38 AromaticContact CZ3-CZ 3.85Å; W24-F38 HydrophobicContact CZ3-CZ 3.85Å; W24-L39 HydrophobicContact CB-CD2 3.88Å; W24-M42 HydrophobicContact CD2-CE 4.39Å; W24-M42 HydrophobicContact CG-CB 4.5Å; W24-M42 HydrophobicContact CG-CG 4.38Å; W24-M42 HydrophobicContact CZ2-CE 3.8Å
25A75.6Confident75.3Confident25 Ų2599.2 Ų99.221%0.20758%0.577CS.*THydrogen-bonded Turntrans-68-24.3-179.500000112.9T22 K35 L39T22-A25 VanDerWaalsContact O-CB 3.24Å; T22-A25 WeakPolarHBondContact O-CB 3.3Å; T22-A25 PolarHBondContact O-N 3.43Å; A25-K35 WeakPolarHBondContact O-CE 3.29Å; A25-K35 PolarHBondContact O-NZ 3.1Å; A25-L39 HydrophobicContact CB-CD2 4.45Å
26S78.4Confident76.6Confident97 Ų97100.1 Ų100.168%0.67857%0.57SS**THydrogen-bonded Turntrans-94.6-1.4176.655.80000114.1Q23 W24 D28Q23-S26 PolarHBondContact O-OG 2.94Å; W24-S26 PolarHBondContact O-N 3.39Å; S26-D28 PolarHBondContact O-N 3.05Å
27A80.9Confident78.3Confident32 Ų32100.9 Ų100.926%0.26456%0.562SS.*  trans-72129177.900000110.8W24 L29W24-A27 WeakPolarHBondContact O-CB 3.39Å; W24-A27 PolarHBondContact O-N 3.02Å; A27-L29 HydrophobicContact CB-CG 4.48Å; A27-L29 PolarHBondContact O-N 3.34Å
28D84.2Confident79.9Confident151 Ų15198.1 Ų98.181%0.80754%0.536SS*.  trans-82.6107.8174.6-175.29.4000110S26 G30S26-D28 PolarHBondContact O-N 3.05Å; D28-G30 PolarHBondContact OD1-N 3.22Å
29L86.2Confident81.4Confident50 Ų5090.9 Ų90.926%0.26250%0.503SS..  trans-10714.4-179.3-64173.6000111.6A27 S31 R34 K35 F38A27-L29 HydrophobicContact CB-CG 4.48Å; A27-L29 PolarHBondContact O-N 3.34Å; L29-S31 PolarHBondContact O-N 3.44Å; L29-R34 HydrophobicContact CB-CB 4.46Å; L29-R34 HydrophobicContact CB-CG 4.22Å; L29-R34 VanDerWaalsContact O-CD 3.26Å; L29-R34 WeakPolarHBondContact O-CD 3.46Å; L29-K35 HydrophobicContact CD1-CB 4.45Å; L29-F38 HydrophobicContact CD1-CB 3.46Å; L29-F38 VanDerWaalsContact CD1-CB 3.46Å; L29-F38 HydrophobicContact CD1-CD1 3.39Å; L29-F38 HydrophobicContact CD1-CD2 4.29Å; L29-F38 HydrophobicContact CD1-CE1 4.14Å; L29-F38 HydrophobicContact CD1-CG 3.45Å; L29-F38 VanDerWaalsContact CD1-CG 3.45Å
30G90Very high82.8Confident72 Ų7292.3 Ų92.374%0.74250%0.499SS*.SBendtrans74-31175.100000115.5D28D28-G30 PolarHBondContact OD1-N 3.22Å
31S91.1Very high84.3Confident54 Ų5495.5 Ų95.538%0.37850%0.497SS..SBendtrans-137.4146.7172.875.80000113.1L29 E33 R34 K35L29-S31 PolarHBondContact O-N 3.44Å; S31-E33 VanDerWaalsContact C-N 3.3Å; S31-E33 PolarHBondContact O-N 3.5Å; S31-R34 PolarHBondContact O-N 3.17Å; S31-R34 VanDerWaalsContact O-N 3.17Å; S31-R34 VanDerWaalsContact OG-CB 3.26Å; S31-R34 WeakPolarHBondContact OG-CB 3.45Å; S31-R34 PolarHBondContact OG-N 3.12Å; S31-K35 WeakPolarHBondContact O-CB 3.48Å; S31-K35 PolarHBondContact O-N 2.92Å
32D87.9Confident85.4Confident123 Ų12395.6 Ų95.666%0.65849%0.49SS*.Hα-helixtrans-63.9-34.5178.7-75.5-26.2000112.4K35 Q36D32-K35 PolarHBondContact O-N 2.7Å; D32-Q36 WeakPolarHBondContact O-CB 3.07Å; D32-Q36 VanDerWaalsContact O-CG 3.31Å; D32-Q36 WeakPolarHBondContact O-CG 3.17Å; D32-Q36 PolarHBondContact O-N 2.94Å
33E90.4Very high85.9Confident121 Ų12196.2 Ų96.257%0.56551%0.506SS*.Hα-helixtrans-64.1-42.5174.5-167.4-166.4158.100111.3S31 K35 Q36 K37S31-E33 VanDerWaalsContact C-N 3.3Å; S31-E33 PolarHBondContact O-N 3.5Å; E33-K35 VanDerWaalsContact C-N 3.34Å; E33-Q36 PolarHBondContact O-N 2.96Å; E33-K37 HydrophobicContact CG-CD 4.42Å; E33-K37 WeakPolarHBondContact O-CB 3.46Å; E33-K37 WeakPolarHBondContact O-CG 3.49Å; E33-K37 PolarHBondContact O-N 3.01Å; E33-K37 VanDerWaalsContact OE1-CE 3.3Å; E33-K37 WeakPolarHBondContact OE1-CE 3.43Å; E33-K37 IonicContact OE1-NZ 2.64Å; E33-K37 PolarHBondContact OE1-NZ 3.32Å
34R90.8Very high85.8Confident162 Ų16289.4 Ų89.461%0.61148%0.478SS*.Hα-helixtrans-65.3-41.8176.2-170.3-177.4-57.2-150.4-3.8110.4L29 S31 K37 F38L29-R34 HydrophobicContact CB-CB 4.46Å; L29-R34 HydrophobicContact CB-CG 4.22Å; L29-R34 VanDerWaalsContact O-CD 3.26Å; L29-R34 WeakPolarHBondContact O-CD 3.46Å; S31-R34 PolarHBondContact O-N 3.17Å; S31-R34 VanDerWaalsContact O-N 3.17Å; S31-R34 VanDerWaalsContact OG-CB 3.26Å; S31-R34 WeakPolarHBondContact OG-CB 3.45Å; S31-R34 PolarHBondContact OG-N 3.12Å; R34-K37 PolarHBondContact O-N 3.3Å; R34-F38 VanDerWaalsContact O-CB 3.25Å; R34-F38 WeakPolarHBondContact O-CB 3.32Å; R34-F38 PolarHBondContact O-N 3.16Å
35K90Very high85.3Confident65 Ų6585.9 Ų85.928%0.28347%0.471SS..Hα-helixtrans-60.8-45.6176-174.9179.6-179.2173.70112.2A25 L29 S31 D32 E33 F38 L39A25-K35 WeakPolarHBondContact O-CE 3.29Å; A25-K35 PolarHBondContact O-NZ 3.1Å; L29-K35 HydrophobicContact CD1-CB 4.45Å; S31-K35 WeakPolarHBondContact O-CB 3.48Å; S31-K35 PolarHBondContact O-N 2.92Å; D32-K35 PolarHBondContact O-N 2.7Å; E33-K35 VanDerWaalsContact C-N 3.34Å; K35-F38 PolarHBondContact O-N 2.77Å; K35-L39 HydrophobicContact CG-CD1 4.08Å; K35-L39 HydrophobicContact CG-CG 4.5Å; K35-L39 WeakPolarHBondContact O-CB 3.5Å; K35-L39 VanDerWaalsContact O-CG 3.3Å; K35-L39 WeakPolarHBondContact O-CG 3.39Å; K35-L39 PolarHBondContact O-N 3.05Å
36Q87.9Confident85Confident124 Ų12492.8 Ų92.858%0.57950%0.497SS*.Hα-helixtrans-66.6-42.2178.1-74.3-176.6-1.300112.5D32 E33 F38 L39 R40D32-Q36 WeakPolarHBondContact O-CB 3.07Å; D32-Q36 VanDerWaalsContact O-CG 3.31Å; D32-Q36 WeakPolarHBondContact O-CG 3.17Å; D32-Q36 PolarHBondContact O-N 2.94Å; E33-Q36 PolarHBondContact O-N 2.96Å; Q36-F38 VanDerWaalsContact C-N 3.31Å; Q36-F38 PolarHBondContact O-N 3.26Å; Q36-L39 PolarHBondContact O-N 2.83Å; Q36-R40 VanDerWaalsContact O-CB 3.26Å; Q36-R40 WeakPolarHBondContact O-CB 3.39Å; Q36-R40 PolarHBondContact O-N 2.78Å
37K90.8Very high84.5Confident127 Ų12794.9 Ų94.955%0.55249%0.494SS*.Hα-helixtrans-60.7-42.9173.8-77.4174.4171.1169.30111.2E33 R34 R40 L41E33-K37 HydrophobicContact CG-CD 4.42Å; E33-K37 WeakPolarHBondContact O-CB 3.46Å; E33-K37 WeakPolarHBondContact O-CG 3.49Å; E33-K37 PolarHBondContact O-N 3.01Å; E33-K37 VanDerWaalsContact OE1-CE 3.3Å; E33-K37 WeakPolarHBondContact OE1-CE 3.43Å; E33-K37 IonicContact OE1-NZ 2.64Å; E33-K37 PolarHBondContact OE1-NZ 3.32Å; R34-K37 PolarHBondContact O-N 3.3Å; K37-R40 PolarHBondContact O-N 3.2Å; K37-L41 WeakPolarHBondContact O-CB 3.45Å; K37-L41 PolarHBondContact O-N 2.97Å
38F89.3Confident83.8Confident50 Ų5099.5 Ų99.522%0.21951%0.51CS..Hα-helixtrans-64.7-49.6176.8177.8-105.3000112.4W24 L29 R34 K35 Q36 R40 L41 M42W24-F38 HydrophobicContact CB-CD1 4.43Å; W24-F38 HydrophobicContact CB-CE1 3.7Å; W24-F38 AromaticContact CD2-CE1 3.81Å; W24-F38 HydrophobicContact CD2-CE1 3.81Å; W24-F38 AromaticContact CD2-CZ 3.8Å; W24-F38 HydrophobicContact CD2-CZ 3.8Å; W24-F38 AromaticContact CE3-CE1 3.53Å; W24-F38 HydrophobicContact CE3-CE1 3.53Å; W24-F38 AromaticContact CE3-CZ 3.39Å; W24-F38 HydrophobicContact CE3-CZ 3.39Å; W24-F38 AromaticContact CG-CE1 3.9Å; W24-F38 HydrophobicContact CG-CE1 3.9Å; W24-F38 HydrophobicContact CG-CZ 4.29Å; W24-F38 HydrophobicContact CZ3-CE1 4.4Å; W24-F38 AromaticContact CZ3-CZ 3.85Å; W24-F38 HydrophobicContact CZ3-CZ 3.85Å; L29-F38 HydrophobicContact CD1-CB 3.46Å; L29-F38 VanDerWaalsContact CD1-CB 3.46Å; L29-F38 HydrophobicContact CD1-CD1 3.39Å; L29-F38 HydrophobicContact CD1-CD2 4.29Å; L29-F38 HydrophobicContact CD1-CE1 4.14Å; L29-F38 HydrophobicContact CD1-CG 3.45Å; L29-F38 VanDerWaalsContact CD1-CG 3.45Å; R34-F38 VanDerWaalsContact O-CB 3.25Å; R34-F38 WeakPolarHBondContact O-CB 3.32Å; R34-F38 PolarHBondContact O-N 3.16Å; K35-F38 PolarHBondContact O-N 2.77Å; Q36-F38 VanDerWaalsContact C-N 3.31Å; Q36-F38 PolarHBondContact O-N 3.26Å; F38-R40 PolarHBondContact O-N 2.88Å; F38-L41 WeakPolarHBondContact O-CB 3.23Å; F38-L41 PolarHBondContact O-N 2.78Å; F38-M42 HydrophobicContact CD1-CG 4.23Å; F38-M42 HydrophobicContact CD2-CG 4.08Å; F38-M42 HydrophobicContact CE1-CG 3.88Å; F38-M42 HydrophobicContact CE2-CG 3.67Å; F38-M42 HydrophobicContact CE2-SD 4.03Å; F38-M42 HydrophobicContact CG-CG 4.34Å; F38-M42 HydrophobicContact CZ-CG 3.57Å; F38-M42 HydrophobicContact CZ-SD 4.2Å; F38-M42 WeakPolarHBondContact O-CG 3.47Å; F38-M42 PolarHBondContact O-N 2.94Å
39L87.3Confident82.5Confident28 Ų2897.5 Ų97.515%0.14750%0.495CS..Hα-helixtrans-59.3-37.4175.9-71.6171.7000111.4W24 A25 K35 Q36 M42 G43 A44 S45W24-L39 HydrophobicContact CB-CD2 3.88Å; A25-L39 HydrophobicContact CB-CD2 4.45Å; K35-L39 HydrophobicContact CG-CD1 4.08Å; K35-L39 HydrophobicContact CG-CG 4.5Å; K35-L39 WeakPolarHBondContact O-CB 3.5Å; K35-L39 VanDerWaalsContact O-CG 3.3Å; K35-L39 WeakPolarHBondContact O-CG 3.39Å; K35-L39 PolarHBondContact O-N 3.05Å; Q36-L39 PolarHBondContact O-N 2.83Å; L39-M42 PolarHBondContact O-N 3.22Å; L39-G43 PolarHBondContact O-N 2.91Å; L39-A44 HydrophobicContact CB-CB 4.27Å; L39-A44 HydrophobicContact CD2-CB 3.66Å; L39-A44 CarbonylContact O-C 3.48Å; L39-A44 WeakPolarHBondContact O-CA 3.42Å; L39-A44 PolarHBondContact O-N 3.06Å; L39-S45 PolarHBondContact O-N 3.05Å
40R86.9Confident81Confident166 Ų166101.8 Ų101.863%0.62652%0.524SS*.Hα-helixtrans-64.4-41.7173.8-174.8177-63.9174.63112.9Q36 K37 F38 G43 S45Q36-R40 VanDerWaalsContact O-CB 3.26Å; Q36-R40 WeakPolarHBondContact O-CB 3.39Å; Q36-R40 PolarHBondContact O-N 2.78Å; K37-R40 PolarHBondContact O-N 3.2Å; F38-R40 PolarHBondContact O-N 2.88Å; R40-G43 PolarHBondContact O-N 3.34Å; R40-S45 VanDerWaalsContact CA-OG 3.25Å; R40-S45 WeakPolarHBondContact CA-OG 3.47Å
41L89.2Confident80Confident145 Ų145100.9 Ų100.976%0.75951%0.514SS*.Hα-helixtrans-66.3-40.5176-175.764.3000112.1K37 F38 G43K37-L41 WeakPolarHBondContact O-CB 3.45Å; K37-L41 PolarHBondContact O-N 2.97Å; F38-L41 WeakPolarHBondContact O-CB 3.23Å; F38-L41 PolarHBondContact O-N 2.78Å; L41-G43 PolarHBondContact O-N 2.68Å
42M87.8Confident79.2Confident82 Ų82109.1 Ų109.140%0.40454%0.537SS..THydrogen-bonded Turntrans-78.25.2179.6-63.3-52-66.600113.6W24 F38 L39 A44W24-M42 HydrophobicContact CD2-CE 4.39Å; W24-M42 HydrophobicContact CG-CB 4.5Å; W24-M42 HydrophobicContact CG-CG 4.38Å; W24-M42 HydrophobicContact CZ2-CE 3.8Å; F38-M42 HydrophobicContact CD1-CG 4.23Å; F38-M42 HydrophobicContact CD2-CG 4.08Å; F38-M42 HydrophobicContact CE1-CG 3.88Å; F38-M42 HydrophobicContact CE2-CG 3.67Å; F38-M42 HydrophobicContact CE2-SD 4.03Å; F38-M42 HydrophobicContact CG-CG 4.34Å; F38-M42 HydrophobicContact CZ-CG 3.57Å; F38-M42 HydrophobicContact CZ-SD 4.2Å; F38-M42 WeakPolarHBondContact O-CG 3.47Å; F38-M42 PolarHBondContact O-N 2.94Å; L39-M42 PolarHBondContact O-N 3.22Å; M42-A44 PolarHBondContact O-N 3.24Å; M42-A44 VanDerWaalsContact O-N 3.16Å
43G81.4Confident78.2Confident66 Ų66108.4 Ų108.468%0.6853%0.533SS*.THydrogen-bonded Turntrans68.78.6-177.400000114.2L39 R40 L41L39-G43 PolarHBondContact O-N 2.91Å; R40-G43 PolarHBondContact O-N 3.34Å; L41-G43 PolarHBondContact O-N 2.68Å
44A76.8Confident77.1Confident23 Ų23105.7 Ų105.719%0.1952%0.524CS..  trans-88.4-9.4179.200000113T22 L39 M42 K46T22-A44 HydrophobicContact CG2-CB 3.63Å; T22-A44 VanDerWaalsContact OG1-CB 3.26Å; T22-A44 WeakPolarHBondContact OG1-CB 3.23Å; L39-A44 HydrophobicContact CB-CB 4.27Å; L39-A44 HydrophobicContact CD2-CB 3.66Å; L39-A44 CarbonylContact O-C 3.48Å; L39-A44 WeakPolarHBondContact O-CA 3.42Å; L39-A44 PolarHBondContact O-N 3.06Å; M42-A44 PolarHBondContact O-N 3.24Å; M42-A44 VanDerWaalsContact O-N 3.16Å; A44-K46 PolarHBondContact O-N 3Å
45S69.1Low76Confident40 Ų40105.4 Ų105.428%0.2853%0.533SS..SBendtrans-75.3113.7169.376.40000108.9L39 R40 K47L39-S45 PolarHBondContact O-N 3.05Å; R40-S45 VanDerWaalsContact CA-OG 3.25Å; R40-S45 WeakPolarHBondContact CA-OG 3.47Å; S45-K47 PolarHBondContact O-N 2.89Å
46K68.4Low74.9Confident171 Ų171105.7 Ų105.774%0.74355%0.554SS**  trans-68.678.9165.6-161.3-169.274.3161.30108.4A44 E48A44-K46 PolarHBondContact O-N 3Å; K46-E48 WeakPolarHBondContact CE-OE1 3.33Å; K46-E48 IonicContact NZ-OE1 2.78Å; K46-E48 PolarHBondContact NZ-OE1 3.19Å; K46-E48 PolarHBondContact O-N 3.47Å; K46-E48 VanDerWaalsContact O-N 3.15Å
47K68.3Low73.6Confident141 Ų141105.5 Ų105.561%0.61356%0.557SS**  trans-73102.6164.9-178.1173.9172-174.50105.3S45 H49S45-K47 PolarHBondContact O-N 2.89Å; K47-H49 VanDerWaalsContact C-N 3.33Å; K47-H49 PolarHBondContact O-CD2 2.94Å; K47-H49 PolarHBondContact O-N 3.02Å
48E66.1Low72.1Confident129 Ų129105 Ų10560%0.60356%0.557SS**  trans-59.6105.5167.3-40.6-159.6171.300105K46 T50K46-E48 WeakPolarHBondContact CE-OE1 3.33Å; K46-E48 IonicContact NZ-OE1 2.78Å; K46-E48 PolarHBondContact NZ-OE1 3.19Å; K46-E48 PolarHBondContact O-N 3.47Å; K46-E48 VanDerWaalsContact O-N 3.15Å; E48-T50 PolarHBondContact O-N 3.08Å
49H56.4Low70.7Confident108 Ų108111.7 Ų111.750%0.559%0.586SS.*  trans-70.882.2169.6-68.7-87.8000105.6K47 G51K47-H49 VanDerWaalsContact C-N 3.33Å; K47-H49 PolarHBondContact O-CD2 2.94Å; K47-H49 PolarHBondContact O-N 3.02Å; H49-G51 PolarHBondContact O-N 3.31Å
50T54.4Low69.3Low141 Ų141115.9 Ų115.987%0.86562%0.617SS**SBendtrans-6683.2165.2-51.60000106.2E48E48-T50 PolarHBondContact O-N 3.08Å
51G69.8Low67.9Low52 Ų52113.6 Ų113.654%0.53662%0.622SS.*SBendtrans141.2128.5-172.600000111.9H49 L53H49-G51 PolarHBondContact O-N 3.31Å; G51-L53 PolarHBondContact O-N 3.05Å
52R74.4Confident66.7Low228 Ų228110.5 Ų110.586%0.8661%0.612SS**  trans-57.8118.2169.8-179.2-179.6178.9-173.8-1.9108.2V54R52-V54 HydrophobicContact CG-CG2 4.38Å; R52-V54 PolarHBondContact O-N 3.08Å
53L67.1Low65.8Low108 Ų108114.4 Ų114.457%0.56563%0.629SS**  trans-64.1104.2166.7-67.4174.8000107.3G51 I55G51-L53 PolarHBondContact O-N 3.05Å; L53-I55 VanDerWaalsContact C-N 3.35Å; L53-I55 HydrophobicContact CB-CD1 4.45Å; L53-I55 HydrophobicContact CB-CG1 4.32Å; L53-I55 PolarHBondContact O-N 2.92Å; L53-I55 VanDerWaalsContact O-N 3.15Å
54V66.2Low65.2Low63 Ų63118.9 Ų118.938%0.38263%0.63SS.*  trans-82.686.6173.8-178.40000107.4R52 D57R52-V54 HydrophobicContact CG-CG2 4.38Å; R52-V54 PolarHBondContact O-N 3.08Å; V54-D57 HydrophobicContact CG1-CB 3.78Å; V54-D57 VanDerWaalsContact CG1-CG 3.44Å; V54-D57 VanDerWaalsContact CG1-OD2 3.3Å; V54-D57 WeakPolarHBondContact CG1-OD2 3.32Å
55I69.4Low65.3Low156 Ų156121.2 Ų121.280%0.863%0.634SS**  trans-89.7100.2172-58.8166.8000106.2L53L53-I55 VanDerWaalsContact C-N 3.35Å; L53-I55 HydrophobicContact CB-CD1 4.45Å; L53-I55 HydrophobicContact CB-CG1 4.32Å; L53-I55 PolarHBondContact O-N 2.92Å; L53-I55 VanDerWaalsContact O-N 3.15Å
56G66.7Low65.8Low71 Ų71121.4 Ų121.473%0.73264%0.636SS**SBendtrans151.1-19.5172.600000117.4
57D60.5Low66.6Low120 Ų120115.5 Ų115.564%0.64262%0.623SS**  trans-117.7-6.7-156.3-49.36.9000112.9V54 K59V54-D57 HydrophobicContact CG1-CB 3.78Å; V54-D57 VanDerWaalsContact CG1-CG 3.44Å; V54-D57 VanDerWaalsContact CG1-OD2 3.3Å; V54-D57 WeakPolarHBondContact CG1-OD2 3.32Å; D57-K59 PolarHBondContact O-N 3.39Å
58H58.7Low67.6Low117 Ų117114.7 Ų114.754%0.54262%0.622SS.*  trans-92104.7178.2-62.4-65.2000110.4S60 T61H58-S60 PolarHBondContact O-N 2.96Å; H58-T61 HydrophobicContact CB-CG2 4.02Å; H58-T61 PolarHBondContact O-N 3.32Å
59K60.3Low68.6Low190 Ų190113.4 Ų113.483%0.82662%0.616SS**THydrogen-bonded Turntrans-56.1-4.8167.4-49.4-167.9-173.8-169.60113.7D57D57-K59 PolarHBondContact O-N 3.39Å
60S56.9Low70.2Confident117 Ų117111.6 Ų111.682%0.81861%0.61SS**THydrogen-bonded Turntrans-102.4-5.3-177.8-57.60000115.1H58H58-S60 PolarHBondContact O-N 2.96Å
61T59.1Low72.1Confident118 Ų118111.9 Ų111.972%0.72460%0.599SS**THydrogen-bonded Turntrans-116.2-15.6-178.7710000114.1H58H58-T61 HydrophobicContact CB-CG2 4.02Å; H58-T61 PolarHBondContact O-N 3.32Å
62S62.2Low73.3Confident79 Ų79116.9 Ų116.955%0.55260%0.602SS**SBendtrans-76.7138.3164.9105.30000106.6F64S62-F64 PolarHBondContact O-N 3.46Å
63H69.2Low74.2Confident165 Ų165110.1 Ų110.176%0.76458%0.581SS**  trans-61.486.2173.9-178.560.3000107.8R65H63-R65 PolarHBondContact O-N 2.88Å
64F70.3Confident75.5Confident159 Ų159109.7 Ų109.770%0.69758%0.579SS**  trans-73.4103.6-178.5-177.7-98.5000106.4S62S62-F64 PolarHBondContact O-N 3.46Å
65R77.3Confident77Confident72 Ų72111.2 Ų111.227%0.27259%0.585SS.*  trans-74.7134.4172.2-61.7179.362.3-161.7-12.6107.2H63 E69 D70 M73H63-R65 PolarHBondContact O-N 2.88Å; R65-E69 PolarHBondContact NH2-O 2.95Å; R65-D70 WeakPolarHBondContact CB-OD1 3.42Å; R65-D70 WeakPolarHBondContact CD-OD1 3.26Å; R65-D70 IonicContact CZ-OD1 3.01Å; R65-D70 IonicContact NE-OD1 3.05Å; R65-D70 PolarHBondContact NE-OD1 3.35Å; R65-D70 IonicContact NH1-OD1 3.55Å; R65-D70 IonicContact NH2-OD1 3.24Å; R65-D70 PolarHBondContact NH2-OD1 2.9Å; R65-M73 PolarHBondContact NH1-SD 3Å; R65-M73 PolarHBondContact NH2-SD 3.41Å
66S80.7Confident78.2Confident45 Ų45109.8 Ų109.832%0.31558%0.575SS.*  trans-66.6144.4174.263.80000108.9Q68 E69 D70S66-Q68 PolarHBondContact O-N 3.47Å; S66-E69 PolarHBondContact N-OE2 2.97Å; S66-E69 WeakPolarHBondContact O-CA 3.36Å; S66-E69 WeakPolarHBondContact O-CB 3.1Å; S66-E69 PolarHBondContact O-N 3.41Å; S66-E69 WeakPolarHBondContact OG-CB 3.18Å; S66-E69 WeakPolarHBondContact OG-CG 3.47Å; S66-E69 PolarHBondContact OG-N 2.77Å; S66-E69 PolarHBondContact OG-OE2 2.96Å; S66-D70 PolarHBondContact O-N 2.99Å
67G85.3Confident79.7Confident47 Ų47110.8 Ų110.849%0.48556%0.563SS.*Hα-helixtrans-57.9-19.5177.300000113.5K71G67-K71 VanDerWaalsContact O-CG 3.23Å; G67-K71 WeakPolarHBondContact O-CG 3.24Å; G67-K71 PolarHBondContact O-N 3.47Å
68Q87.8Confident81.4Confident124 Ų124111.1 Ų111.158%0.57956%0.561SS**Hα-helixtrans-75.8-40.1171.8-169.4178.637.100112.5S66 D70 K71 R72S66-Q68 PolarHBondContact O-N 3.47Å; Q68-D70 VanDerWaalsContact C-N 3.31Å; Q68-K71 PolarHBondContact O-N 3.13Å; Q68-R72 WeakPolarHBondContact O-CG 3.25Å; Q68-R72 PolarHBondContact O-N 2.89Å
69E88.9Confident83.1Confident101 Ų101111.2 Ų111.247%0.47256%0.563SS.*Hα-helixtrans-67.2-34.4173.4-74163.8151.200111.8R65 S66 M73R65-E69 PolarHBondContact NH2-O 2.95Å; S66-E69 PolarHBondContact N-OE2 2.97Å; S66-E69 WeakPolarHBondContact O-CA 3.36Å; S66-E69 WeakPolarHBondContact O-CB 3.1Å; S66-E69 PolarHBondContact O-N 3.41Å; S66-E69 WeakPolarHBondContact OG-CB 3.18Å; S66-E69 WeakPolarHBondContact OG-CG 3.47Å; S66-E69 PolarHBondContact OG-N 2.77Å; S66-E69 PolarHBondContact OG-OE2 2.96Å; E69-M73 WeakPolarHBondContact O-CB 3.26Å; E69-M73 PolarHBondContact O-N 2.86Å
70D89.8Confident84.8Confident70 Ų70108 Ų10837%0.37455%0.551SS.*Hα-helixtrans-66.1-44175.1-73.9-15.8000111.5R65 S66 Q68 M73 N74R65-D70 WeakPolarHBondContact CB-OD1 3.42Å; R65-D70 WeakPolarHBondContact CD-OD1 3.26Å; R65-D70 IonicContact CZ-OD1 3.01Å; R65-D70 IonicContact NE-OD1 3.05Å; R65-D70 PolarHBondContact NE-OD1 3.35Å; R65-D70 IonicContact NH1-OD1 3.55Å; R65-D70 IonicContact NH2-OD1 3.24Å; R65-D70 PolarHBondContact NH2-OD1 2.9Å; S66-D70 PolarHBondContact O-N 2.99Å; Q68-D70 VanDerWaalsContact C-N 3.31Å; D70-M73 PolarHBondContact O-N 3.3Å; D70-N74 WeakPolarHBondContact O-CB 3.3Å; D70-N74 PolarHBondContact O-N 3.15Å
71K93.9Very high86.5Confident147 Ų147109.1 Ų109.164%0.63954%0.538SS*.Hα-helixtrans-58.8-51.1173.3-74.3173.1-177-170.60111.6G67 Q68 M73 N74 D75G67-K71 VanDerWaalsContact O-CG 3.23Å; G67-K71 WeakPolarHBondContact O-CG 3.24Å; G67-K71 PolarHBondContact O-N 3.47Å; Q68-K71 PolarHBondContact O-N 3.13Å; K71-M73 VanDerWaalsContact C-N 3.31Å; K71-M73 PolarHBondContact O-N 3.44Å; K71-N74 WeakPolarHBondContact O-CB 3.44Å; K71-N74 PolarHBondContact O-N 2.8Å; K71-N74 VanDerWaalsContact O-N 3.08Å; K71-D75 PolarHBondContact O-N 2.91Å
72R94.4Very high88.2Confident158 Ų158108.4 Ų108.460%0.59653%0.527SS*.Hα-helixtrans-58.4-42.3179-74.3179.8-176.6177.84112.8Q68 N74 D75 E76Q68-R72 WeakPolarHBondContact O-CG 3.25Å; Q68-R72 PolarHBondContact O-N 2.89Å; R72-N74 VanDerWaalsContact C-N 3.34Å; R72-D75 PolarHBondContact O-N 2.81Å; R72-E76 WeakPolarHBondContact O-CB 3.34Å; R72-E76 PolarHBondContact O-N 3.47Å
73M93.6Very high89.5Confident85 Ų85111 Ų11142%0.41953%0.53SS..Hα-helixtrans-67.6-38.3177.7-175.4179.7-73.300111.5R65 E69 D70 K71 E76 L77R65-M73 PolarHBondContact NH1-SD 3Å; R65-M73 PolarHBondContact NH2-SD 3.41Å; E69-M73 WeakPolarHBondContact O-CB 3.26Å; E69-M73 PolarHBondContact O-N 2.86Å; D70-M73 PolarHBondContact O-N 3.3Å; K71-M73 VanDerWaalsContact C-N 3.31Å; K71-M73 PolarHBondContact O-N 3.44Å; M73-E76 PolarHBondContact O-N 2.83Å; M73-L77 HydrophobicContact CG-CD1 4.12Å; M73-L77 HydrophobicContact CG-CG 4.44Å; M73-L77 WeakPolarHBondContact O-CB 3.44Å; M73-L77 VanDerWaalsContact O-CG 3.23Å; M73-L77 WeakPolarHBondContact O-CG 3.34Å; M73-L77 PolarHBondContact O-N 3.28Å
74N95.3Very high90.2Very high100 Ų100105.5 Ų105.554%0.53551%0.51SS..Hα-helixtrans-63.7-44.4176.3-167.446.7000111.4D70 K71 R72 E76 L77 E78D70-N74 WeakPolarHBondContact O-CB 3.3Å; D70-N74 PolarHBondContact O-N 3.15Å; K71-N74 WeakPolarHBondContact O-CB 3.44Å; K71-N74 PolarHBondContact O-N 2.8Å; K71-N74 VanDerWaalsContact O-N 3.08Å; R72-N74 VanDerWaalsContact C-N 3.34Å; N74-E76 VanDerWaalsContact C-N 3.33Å; N74-E76 PolarHBondContact O-N 3.28Å; N74-L77 PolarHBondContact O-N 3.26Å; N74-E78 PolarHBondContact O-N 3.27Å
75D96.2Very high90.9Very high95 Ų95100.9 Ų100.951%0.50849%0.492SS..Hα-helixtrans-61.6-41.3177.1-58.9-18.2000111.2K71 R72 E78 M79K71-D75 PolarHBondContact O-N 2.91Å; R72-D75 PolarHBondContact O-N 2.81Å; D75-E78 PolarHBondContact O-N 2.79Å; D75-M79 WeakPolarHBondContact O-CB 3.44Å; D75-M79 PolarHBondContact O-N 3.16Å
76E96.1Very high91.1Very high125 Ų125101.7 Ų101.758%0.58450%0.501SS*.Hα-helixtrans-65.6-41176.2-175.3174.3-172.900112.2R72 M73 N74 M79 Q80R72-E76 WeakPolarHBondContact O-CB 3.34Å; R72-E76 PolarHBondContact O-N 3.47Å; M73-E76 PolarHBondContact O-N 2.83Å; N74-E76 VanDerWaalsContact C-N 3.33Å; N74-E76 PolarHBondContact O-N 3.28Å; E76-M79 HydrophobicContact CG-CE 4.36Å; E76-M79 PolarHBondContact O-N 3.24Å; E76-Q80 PolarHBondContact O-N 3.4Å
77L96.8Very high90.7Very high93 Ų93100.8 Ų100.849%0.48750%0.499SS..Hα-helixtrans-63.6-41.7175.6-75.5169.4000111.7M73 N74 Q80 Y81M73-L77 HydrophobicContact CG-CD1 4.12Å; M73-L77 HydrophobicContact CG-CG 4.44Å; M73-L77 WeakPolarHBondContact O-CB 3.44Å; M73-L77 VanDerWaalsContact O-CG 3.23Å; M73-L77 WeakPolarHBondContact O-CG 3.34Å; M73-L77 PolarHBondContact O-N 3.28Å; N74-L77 PolarHBondContact O-N 3.26Å; L77-Q80 PolarHBondContact O-N 2.74Å; L77-Y81 PolarHBondContact O-N 2.67Å
78E95.9Very high89.8Confident127 Ų127103.6 Ų103.659%0.59350%0.498SS*.Hα-helixtrans-65.6-42.3177.3-174.9164.2-141.200111.5N74 D75 Q80 Y81 Q82N74-E78 PolarHBondContact O-N 3.27Å; D75-E78 PolarHBondContact O-N 2.79Å; E78-Q80 VanDerWaalsContact C-N 3.34Å; E78-Q80 PolarHBondContact O-N 2.88Å; E78-Y81 WeakPolarHBondContact O-CB 3.49Å; E78-Y81 PolarHBondContact O-N 2.83Å; E78-Q82 PolarHBondContact O-N 3.38Å
79M95.8Very high88.7Confident118 Ų118104.6 Ų104.658%0.58151%0.507SS*.Hα-helixtrans-60-44.1173.8-178.8-174.361.500111.6D75 E76 Y81 Q82 Q83D75-M79 WeakPolarHBondContact O-CB 3.44Å; D75-M79 PolarHBondContact O-N 3.16Å; E76-M79 HydrophobicContact CG-CE 4.36Å; E76-M79 PolarHBondContact O-N 3.24Å; M79-Y81 VanDerWaalsContact C-N 3.32Å; M79-Y81 PolarHBondContact O-N 3.09Å; M79-Q82 PolarHBondContact O-N 3.29Å; M79-Q83 WeakPolarHBondContact O-CB 3.31Å; M79-Q83 PolarHBondContact O-N 2.82Å
80Q95.5Very high87.6Confident122 Ų122103.9 Ų103.957%0.5751%0.513SS*.Hα-helixtrans-62.8-40.9177-174.8-177.54.400111.6E76 L77 E78 S84E76-Q80 PolarHBondContact O-N 3.4Å; L77-Q80 PolarHBondContact O-N 2.74Å; E78-Q80 VanDerWaalsContact C-N 3.34Å; E78-Q80 PolarHBondContact O-N 2.88Å; Q80-S84 WeakPolarHBondContact O-CB 3.48Å; Q80-S84 PolarHBondContact O-N 2.86Å
81Y93.4Very high86.3Confident141 Ų141102 Ų10255%0.55351%0.51SS*.Hα-helixtrans-59.5-50.9175.5171.1-101.4000110.9L77 E78 M79 Q83 S84 M85L77-Y81 PolarHBondContact O-N 2.67Å; E78-Y81 WeakPolarHBondContact O-CB 3.49Å; E78-Y81 PolarHBondContact O-N 2.83Å; M79-Y81 VanDerWaalsContact C-N 3.32Å; M79-Y81 PolarHBondContact O-N 3.09Å; Y81-Q83 PolarHBondContact O-N 3.49Å; Y81-S84 PolarHBondContact O-N 2.9Å; Y81-S84 VanDerWaalsContact O-N 3.16Å; Y81-S84 PolarHBondContact O-OG 3.36Å; Y81-M85 HydrophobicContact CD1-CG 4.49Å; Y81-M85 HydrophobicContact CD2-CG 4.43Å; Y81-M85 HydrophobicContact CE1-CG 4.04Å; Y81-M85 HydrophobicContact CE2-CE 4.16Å; Y81-M85 HydrophobicContact CE2-CG 3.97Å; Y81-M85 HydrophobicContact CE2-SD 4.24Å; Y81-M85 WeakPolarHBondContact O-CG 3.25Å; Y81-M85 PolarHBondContact O-N 3.26Å
82Q92.8Very high85.1Confident103 Ų103103.1 Ų103.148%0.48151%0.51SS..Hα-helixtrans-61.3-46.9179.8-169.759.839.600111.7E78 M79 S84 M85 D86E78-Q82 PolarHBondContact O-N 3.38Å; M79-Q82 PolarHBondContact O-N 3.29Å; Q82-S84 VanDerWaalsContact C-N 3.27Å; Q82-S84 PolarHBondContact O-N 3.44Å; Q82-M85 WeakPolarHBondContact O-CB 3.37Å; Q82-M85 PolarHBondContact O-N 3.2Å; Q82-M85 VanDerWaalsContact O-N 3.1Å; Q82-D86 PolarHBondContact NE2-OD1 3.47Å; Q82-D86 PolarHBondContact O-N 3.16Å
83Q89.6Confident83.4Confident133 Ų133100.2 Ų100.262%0.62151%0.506SS*.Hα-helixtrans-57.4-40.9175.6-175.7-175.66.300111.9M79 Y81 D86 G87M79-Q83 WeakPolarHBondContact O-CB 3.31Å; M79-Q83 PolarHBondContact O-N 2.82Å; Y81-Q83 PolarHBondContact O-N 3.49Å; Q83-D86 PolarHBondContact O-N 3.44Å; Q83-G87 PolarHBondContact O-N 3.06Å; Q83-G87 VanDerWaalsContact O-N 3.13Å
84S83.9Confident82Confident51 Ų51105.7 Ų105.736%0.35752%0.522SS..Hα-helixtrans-65.8-41.5177.781.30000111.5Q80 Y81 Q82 G87 K88Q80-S84 WeakPolarHBondContact O-CB 3.48Å; Q80-S84 PolarHBondContact O-N 2.86Å; Y81-S84 PolarHBondContact O-N 2.9Å; Y81-S84 VanDerWaalsContact O-N 3.16Å; Y81-S84 PolarHBondContact O-OG 3.36Å; Q82-S84 VanDerWaalsContact C-N 3.27Å; Q82-S84 PolarHBondContact O-N 3.44Å; S84-G87 PolarHBondContact O-N 2.91Å; S84-K88 VanDerWaalsContact O-CG 3.29Å; S84-K88 WeakPolarHBondContact O-CG 3.44Å; S84-K88 PolarHBondContact O-N 2.84Å
85M86Confident80.7Confident62 Ų62107.2 Ų107.231%0.30552%0.52SS..Hα-helixtrans-62.8-44.9177.6-72.7-58.410200111.1Y81 Q82 G87 K88 L89Y81-M85 HydrophobicContact CD1-CG 4.49Å; Y81-M85 HydrophobicContact CD2-CG 4.43Å; Y81-M85 HydrophobicContact CE1-CG 4.04Å; Y81-M85 HydrophobicContact CE2-CE 4.16Å; Y81-M85 HydrophobicContact CE2-CG 3.97Å; Y81-M85 HydrophobicContact CE2-SD 4.24Å; Y81-M85 WeakPolarHBondContact O-CG 3.25Å; Y81-M85 PolarHBondContact O-N 3.26Å; Q82-M85 WeakPolarHBondContact O-CB 3.37Å; Q82-M85 PolarHBondContact O-N 3.2Å; Q82-M85 VanDerWaalsContact O-N 3.1Å; M85-G87 VanDerWaalsContact C-N 3.26Å; M85-G87 PolarHBondContact O-N 3.17Å; M85-K88 HydrophobicContact CE-CG 4.37Å; M85-K88 PolarHBondContact O-N 2.98Å; M85-K88 VanDerWaalsContact O-N 3.12Å; M85-L89 WeakPolarHBondContact O-CB 2.96Å; M85-L89 WeakPolarHBondContact O-CG 3.48Å; M85-L89 PolarHBondContact O-N 2.8Å
86D80.3Confident79.1Confident88 Ų88110.7 Ų110.747%0.47153%0.533SS..Hα-helixtrans-59.3-39.6177.2-62.5-17.8000111.1Q82 Q83 S90Q82-D86 PolarHBondContact NE2-OD1 3.47Å; Q82-D86 PolarHBondContact O-N 3.16Å; Q83-D86 PolarHBondContact O-N 3.44Å; D86-S90 WeakPolarHBondContact O-CB 3.3Å; D86-S90 PolarHBondContact O-N 2.76Å
87G73.1Confident77.4Confident26 Ų26109.1 Ų109.127%0.26854%0.535SS..Hα-helixtrans-67-38174.700000114.4Q83 S84 M85 D93Q83-G87 PolarHBondContact O-N 3.06Å; Q83-G87 VanDerWaalsContact O-N 3.13Å; S84-G87 PolarHBondContact O-N 2.91Å; M85-G87 VanDerWaalsContact C-N 3.26Å; M85-G87 PolarHBondContact O-N 3.17Å; G87-D93 WeakPolarHBondContact O-CB 3.43Å
88K67.3Low75.9Confident106 Ų106106.6 Ų106.646%0.46153%0.532SS..Hα-helixtrans-71.7-39.9177.1-54.1-38.8-92.9-1770112S84 M85 D93S84-K88 VanDerWaalsContact O-CG 3.29Å; S84-K88 WeakPolarHBondContact O-CG 3.44Å; S84-K88 PolarHBondContact O-N 2.84Å; M85-K88 HydrophobicContact CE-CG 4.37Å; M85-K88 PolarHBondContact O-N 2.98Å; M85-K88 VanDerWaalsContact O-N 3.12Å; K88-D93 IonicContact NZ-OD2 2.88Å; K88-D93 PolarHBondContact NZ-OD2 3.4Å
89L64.8Low74.3Confident146 Ų146109.9 Ų109.976%0.76455%0.552SS**Hα-helixtrans-78.1-33.9-177.1-65.2176.3000112.3M85 G91M85-L89 WeakPolarHBondContact O-CB 2.96Å; M85-L89 WeakPolarHBondContact O-CG 3.48Å; M85-L89 PolarHBondContact O-N 2.8Å; L89-G91 PolarHBondContact O-N 2.87Å
90S65.5Low72.7Confident86 Ų86108.2 Ų108.260%0.60157%0.565SS**THydrogen-bonded Turntrans-66-6.2176.2-178.50000113.5D86 R92D86-S90 WeakPolarHBondContact O-CB 3.3Å; D86-S90 PolarHBondContact O-N 2.76Å; S90-R92 PolarHBondContact O-N 3.24Å
91G62.7Low70.6Confident30 Ų30109 Ų10931%0.30957%0.567SS.*SBendtrans67.4-7.6176.800000115.2L89 R94L89-G91 PolarHBondContact O-N 2.87Å; G91-R94 PolarHBondContact O-N 3.42Å
92R67.9Low69.2Low170 Ų170107.3 Ų107.364%0.64258%0.576SS**SBendtrans-74.6-32-177.1-168.4170.6134.4148.4-3112.6S90S90-R92 PolarHBondContact O-N 3.24Å
93D60Low67.9Low97 Ų97106.8 Ų106.852%0.51957%0.574SS.*THydrogen-bonded Turntrans-78.1-15.8175.7-172.550.3000113.6G87 K88 R95G87-D93 WeakPolarHBondContact O-CB 3.43Å; K88-D93 IonicContact NZ-OD2 2.88Å; K88-D93 PolarHBondContact NZ-OD2 3.4Å; D93-R95 VanDerWaalsContact C-N 3.33Å
94R62.3Low66.8Low201 Ų201105.6 Ų105.676%0.75858%0.578SS**THydrogen-bonded Turntrans-82-12.7176.3-87.7-178.3171176.1-0.6113.6G91 H96G91-R94 PolarHBondContact O-N 3.42Å; R94-H96 PolarHBondContact O-N 2.72Å
95R69.4Low65.8Low131 Ų131111.4 Ų111.449%0.49460%0.599SS.*  trans-88.197.4174-62.8-170.2-79.1-138.36.7106.7D93 C97 E103D93-R95 VanDerWaalsContact C-N 3.33Å; R95-C97 PolarHBondContact O-N 2.77Å; R95-E103 IonicContact CZ-OE1 3.77Å; R95-E103 IonicContact CZ-OE2 3.91Å; R95-E103 IonicContact NH2-OE1 2.74Å; R95-E103 PolarHBondContact NH2-OE1 3.33Å; R95-E103 IonicContact NH2-OE2 2.83Å; R95-E103 PolarHBondContact NH2-OE2 2.88Å
96H62.9Low64.6Low168 Ų168113.8 Ų113.878%0.77862%0.619SS**  trans-51.9104.5148.845.1-71.6000104.5R94 G98R94-H96 PolarHBondContact O-N 2.72Å; H96-G98 PolarHBondContact O-N 3.48Å
97C60.3Low63.2Low92 Ų92118.3 Ų118.362%0.62264%0.637SS**  trans-6577.3166.8-65.70000105.5R95 F101R95-C97 PolarHBondContact O-N 2.77Å; C97-F101 WeakPolarHBondContact CB-O 3.26Å
98G64.1Low62.3Low41 Ų41124.8 Ų124.842%0.42367%0.665SS.*  trans-53.7149.617500000108.3H96 G100 F101H96-G98 PolarHBondContact O-N 3.48Å; G98-G100 PolarHBondContact O-N 3.31Å; G98-F101 PolarHBondContact O-N 2.83Å
99L63Low61.4Low195 Ų195126.3 Ų126.3100%1.02168%0.683SS**THydrogen-bonded Turntrans-18.988.8176.9-70.5158.9000112.9
100G61.8Low60.7Low83 Ų83126.9 Ų126.986%0.85669%0.685SS**THydrogen-bonded Turntrans108.512.2167.700000120.1G98G98-G100 PolarHBondContact O-N 3.31Å
101F51.2Low59.8Low139 Ų139127.3 Ų127.361%0.6169%0.688SS**  trans-114119.6173.3-161.5-96.5000114.3C97 G98C97-F101 WeakPolarHBondContact CB-O 3.26Å; G98-F101 PolarHBondContact O-N 2.83Å
102S64.1Low58.9Low105 Ų105131.3 Ų131.373%0.73471%0.709SS**  trans-109.6128.6168-50.80000108.9
103E66.3Low57.8Low93 Ų93129.6 Ų129.644%0.43572%0.719SS.*PPolyproline II helixtrans-68.8126.5170.9-177.4166.6-144.600109.2R95 Q105R95-E103 IonicContact CZ-OE1 3.77Å; R95-E103 IonicContact CZ-OE2 3.91Å; R95-E103 IonicContact NH2-OE1 2.74Å; R95-E103 PolarHBondContact NH2-OE1 3.33Å; R95-E103 IonicContact NH2-OE2 2.83Å; R95-E103 PolarHBondContact NH2-OE2 2.88Å; E103-Q105 PolarHBondContact O-N 3.43Å
104P66.8Low56.9Low108 Ų108129.6 Ų129.670%0.70173%0.733SS**PPolyproline II helixtrans-64.5132.7175.924.3-30.1000109.8
105Q62.1Low55.9Low173 Ų173127.8 Ų127.881%0.80874%0.738SS**PPolyproline II helixtrans-55.2135.6176.3-174.1158.4-36.800109.3E103 E107E103-Q105 PolarHBondContact O-N 3.43Å; Q105-E107 PolarHBondContact O-N 3.43Å
106P59.9Low54.4Low112 Ų112127.4 Ų127.473%0.72776%0.755SS**  trans-61107.4175.424.5-32.5000108L108P106-L108 PolarHBondContact O-N 2.97Å
107E51Low53.3Low182 Ų182128.3 Ų128.385%0.8576%0.76SS**  trans-59.9118.7169.5-73.3-177.5174.100107Q105 V109Q105-E107 PolarHBondContact O-N 3.43Å; E107-V109 PolarHBondContact O-N 3.37Å
108L55.4Low51.9Low163 Ų163129.9 Ų129.985%0.85377%0.767SS**  trans-53.7111.8164-67.6171.5000106.1P106 I110P106-L108 PolarHBondContact O-N 2.97Å; L108-I110 VanDerWaalsContact C-N 3.31Å; L108-I110 PolarHBondContact O-N 2.89Å
109V47.2Very low50.6Low138 Ų138136.6 Ų136.684%0.83679%0.787SS**  trans-61.595.5-179.3-170.60000107.6E107 S111E107-V109 PolarHBondContact O-N 3.37Å; V109-S111 PolarHBondContact O-N 3.5Å; V109-S111 VanDerWaalsContact O-N 3.16Å
110I51.2Low49.3Very low158 Ų158131.5 Ų131.581%0.8177%0.773SS**  trans-71.4105.1165.9-61.7171.5000105L108L108-I110 VanDerWaalsContact C-N 3.31Å; L108-I110 PolarHBondContact O-N 2.89Å
111S47.1Very low48Very low94 Ų94132.3 Ų132.366%0.65777%0.772SS**PPolyproline II helixtrans-56.5135.2173.651.40000111.2V109V109-S111 PolarHBondContact O-N 3.5Å; V109-S111 VanDerWaalsContact O-N 3.16Å
112P43.1Very low47.7Very low115 Ų115134.9 Ų134.975%0.74778%0.783SS**PPolyproline II helixtrans-77.9150.2169.732.1-32000111
113P45Very low46.9Very low133 Ų133135.3 Ų135.386%0.86478%0.783SS**PPolyproline II helixtrans-81125.1176.932.6-30.6000109.9
114A39.8Very low45.4Very low97 Ų97138.1 Ų138.180%0.80280%0.796SS**  trans-139.1105.6164.800000109S116A114-S116 PolarHBondContact O-N 3.04Å
115D42.3Very low44Very low164 Ų164141.3 Ų141.388%0.87780%0.802SS**  trans-55.2126.3160.8-81.3-47.8000109.5
116S38.9Very low43Very low122 Ų122138.5 Ų138.585%0.85380%0.801SS**  trans-176127.8143.5-78.20000110.4A114A114-S116 PolarHBondContact O-N 3.04Å
117Q39.1Very low41.8Very low187 Ų187138.2 Ų138.287%0.87480%0.802SS**  trans-41.1145.6175.2-61.3167.260.100114.4
118T31.4Very low41.4Very low125 Ų125135.5 Ų135.577%0.76780%0.803SS**  159.6116.7113.2-50.90000110.4
119E37.1Very low40.5Very low182 Ų182134.7 Ų134.785%0.8580%0.795SS**  trans34.4140144.9-133.4-176.7162.500124.1
120A35Very low40.1Very low88 Ų88133.7 Ų133.773%0.72779%0.785SS**  trans82.5105.614500000120.3
121A34.4Very low39.4Very low100 Ų100133.5 Ų133.583%0.82678%0.781SS**  136.3109.5114.100000113.6
122K44Very low38.8Very low194 Ų194135.2 Ų135.284%0.84378%0.783SS**  trans-78.4154.4148.3-74.4-172.8173.4-174.10108.5
123P47.8Very low38.2Very low114 Ų114134.7 Ų134.774%0.7478%0.777SS**  -141141.79521.41.3000114.2
124E35.8Very low37.8Very low152 Ų152136.6 Ų136.671%0.7178%0.775SS**  74.5107.6106.9-55.1-62.6144.500113.7
125E36.7Very low37.8Very low175 Ų175136.1 Ų136.182%0.81877%0.771SS**  57.1115.792.7-84.4-156.8179.500116.6
126S39.8Very low37.5Very low113 Ų113137.1 Ų137.179%0.7977%0.77SS**  trans-167.8109.2140.849.50000105.7
127S36.3Very low37.4Very low107 Ų107139.9 Ų139.975%0.74877%0.77SS**  51.294.656.3-161.90000112.9
128S42Very low37.5Very low125 Ų125139.5 Ų139.587%0.87477%0.768SS**  trans-156.1107.1139.340.10000110.1
129E36.9Very low37.4Very low145 Ų145140.4 Ų140.468%0.67877%0.768SS**  trans-78160.9166.6-171.9-178.1170.400110.6
130N38.3Very low37.1Very low118 Ų118137 Ų13763%0.63177%0.765SS**  trans128.6106.7147-67.7-47.5000114.2
131Q36.8Very low36.9Very low153 Ų153137.9 Ų137.972%0.71577%0.766SS**  82.6125.772.4-77.5-176.412.900112.4
132N34.2Very low37.5Very low131 Ų131138.3 Ų138.370%0.70176%0.76SS**  161.7116.5117-133.818.8000110
133T30.6Very low37.1Very low104 Ų104138.8 Ų138.864%0.63877%0.765SS**  59.9140.6104.770.60000114.3
134E35.7Very low36.3Very low172 Ų172141.8 Ų141.880%0.80477%0.769SS**  -179.2118.154.3-156168.1159.400106
135A39.8Very low36.1Very low88 Ų88144.9 Ų144.973%0.72778%0.78SS**  34.9116.4105.500000116.5
136Q36.5Very low35.8Very low184 Ų184141.6 Ų141.686%0.8678%0.777SS**  trans-151.6115.9136.6-117.6-173.8-52.500111.3
137E36.3Very low36.3Very low181 Ų181141.5 Ų141.585%0.84677%0.773SS**  trans-77.2147.6164.9-58.4170.416400108.7
138E41.2Very low36Very low178 Ų178144.4 Ų144.483%0.83278%0.775SS**  trans-144.8128.8148.3-83.9-66.4156.600107.8
139D29.5Very low35.5Very low144 Ų144146.2 Ų146.277%0.7777%0.77SS**  trans-95.8163.3-172.4-17616.7000110.1
140S31.9Very low35.1Very low112 Ų112148.5 Ų148.578%0.78378%0.78SS**  trans142.5106.5144.2-650000114.3
141S29.6Very low35.1Very low106 Ų106150.5 Ų150.574%0.74179%0.791SS**  trans-91.1-171.6152.5-166.40000108.7
142P48.4Very low35.5Very low108 Ų108149.3 Ų149.370%0.70180%0.796SS**  cis-124.6176-36.216.86.8000111.7
143E34.7Very low35.2Very low204 Ų204146.7 Ų146.795%0.95380%0.8SS**  trans-135.8135.3149-98-157.5153.900112.3
144E32Very low35.5Very low178 Ų178147.2 Ų147.283%0.83281%0.808SS**  trans-79.5155.2-176.8-59.3-173.112500113.1
145K31Very low36Very low217 Ų217145.6 Ų145.694%0.94381%0.805SS**  -161.4131.1125-105.3171.6-166.2-179.20111
146S30.6Very low36.1Very low106 Ų106148.3 Ų148.374%0.74181%0.808SS**  trans-101.8-163.5-178-159.50000109.3
147P49.9Very low36.9Very low110 Ų110147 Ų14771%0.71480%0.801SS**  -124171.7-92.239.5-23.9000113.3
148E29.4Very low37.4Very low168 Ų168143.5 Ų143.579%0.78580%0.797SS**  trans179.3110.2146.3-107.7172.6148.500108.9
149Q32Very low37.9Very low164 Ų164143.5 Ų143.577%0.76679%0.794SS**  85.2116.794.2-82.9-164.3-42.900113.7
150E29.8Very low39.2Very low192 Ų192143.9 Ų143.990%0.89779%0.791SS**  171.8106.6119.6-89.6177.4-16400110.2
151D36.6Very low40.7Very low160 Ų160149 Ų14986%0.85679%0.794SS**  trans-94.8163.5149.3-87.6-42.4000106.5
152P45.1Very low42.2Very low128 Ų128150.9 Ų150.983%0.83179%0.788SS**  cis-146.8167.128.637.6-16.1000116.9
153G29.7Very low43.1Very low76 Ų76154 Ų15478%0.78479%0.793SS**  trans123.6107.7140.400000116.3
154S36.6Very low44.6Very low116 Ų116151.7 Ų151.781%0.81179%0.788SS**  -173.8117.8110.6-168.30000108.7D156S154-D156 PolarHBondContact O-N 2.96Å
155D44.5Very low46.2Very low137 Ų137152.4 Ų152.473%0.73378%0.784SS**  trans-59.4121.7163.9-155.8-2000108
156D42.4Very low48.3Very low146 Ų146151.3 Ų151.378%0.78178%0.78SS**  trans-144.299.9156.4-162.617.4000110.2S154 S158S154-D156 PolarHBondContact O-N 2.96Å; D156-S158 PolarHBondContact O-N 3.39Å; D156-S158 VanDerWaalsContact O-N 3.09Å
157Q52.9Low50.5Low155 Ų155152.4 Ų152.472%0.72477%0.774SS**  trans-70.693.8175.9-651797.200110.3
158S47.4Very low51.6Low108 Ų108153.8 Ų153.876%0.75578%0.781SS**  trans-103.985.1162.575.80000111.1D156 E160D156-S158 PolarHBondContact O-N 3.39Å; D156-S158 VanDerWaalsContact O-N 3.09Å; S158-E160 PolarHBondContact O-N 2.64Å
159K51.5Low53.9Low179 Ų179154.5 Ų154.578%0.77878%0.782SS**  trans-9.5112.6165-63.2173.8-178.1173.60115.4R161K159-R161 PolarHBondContact O-N 3.23Å
160E57.9Low55.7Low152 Ų152153.2 Ų153.271%0.7178%0.784SS**  trans-52.6108.4158.9-75.6-168.2151.100110S158 K162S158-E160 PolarHBondContact O-N 2.64Å; E160-K162 IonicContact OE1-NZ 3.48Å; E160-K162 PolarHBondContact OE1-NZ 3.17Å; E160-K162 WeakPolarHBondContact OE2-CE 3.26Å; E160-K162 IonicContact OE2-NZ 2.72Å; E160-K162 PolarHBondContact OE2-NZ 2.92Å
161R61.7Low57.4Low220 Ų220153.5 Ų153.583%0.8378%0.783SS**  trans-97.883.8160-74.2-175.1178.4-1790.6108.1K159 Q163K159-R161 PolarHBondContact O-N 3.23Å; R161-Q163 PolarHBondContact O-N 3.23Å
162K62.2Low58.7Low145 Ų145151.5 Ų151.563%0.6378%0.781SS**  trans-61.298.7166.2-78.7170.4171.2132.70108.3E160 N164E160-K162 IonicContact OE1-NZ 3.48Å; E160-K162 PolarHBondContact OE1-NZ 3.17Å; E160-K162 WeakPolarHBondContact OE2-CE 3.26Å; E160-K162 IonicContact OE2-NZ 2.72Å; E160-K162 PolarHBondContact OE2-NZ 2.92Å; K162-N164 PolarHBondContact O-N 2.99Å
163Q67.2Low59.4Low172 Ų172157.3 Ų157.380%0.80480%0.804SS**  trans-78.7102172.7-65.9-158.86.200108.6R161 Y165R161-Q163 PolarHBondContact O-N 3.23Å; Q163-Y165 VanDerWaalsContact C-N 3.35Å; Q163-Y165 PolarHBondContact O-N 3.01Å
164N65Low60.9Low157 Ų157161.4 Ų161.484%0.8481%0.805SS**  trans-74.187.6173.2-55.5-53.2000108.9K162K162-N164 PolarHBondContact O-N 2.99Å
165Y67.6Low62.2Low193 Ų193163.7 Ų163.776%0.75781%0.805SS**  trans-84.2113.9175-164.1-108.9000110Q163 M167Q163-Y165 VanDerWaalsContact C-N 3.35Å; Q163-Y165 PolarHBondContact O-N 3.01Å; Y165-M167 HydrophobicContact CD1-CG 4.22Å; Y165-M167 HydrophobicContact CD1-SD 3.59Å; Y165-M167 VanDerWaalsContact CD1-SD 3.59Å; Y165-M167 HydrophobicContact CE1-CG 4.41Å; Y165-M167 HydrophobicContact CE1-SD 3.27Å; Y165-M167 WeakPolarHBondContact CE1-SD 3.27Å
166K73.3Confident63.2Low194 Ų194165.2 Ų165.284%0.84381%0.809SS**  trans-94.1108.4179.2-144.9174.9-170.8176.50108.8
167M77.3Confident64.4Low128 Ų128166.4 Ų166.463%0.63181%0.81SS**  trans-74.4128.1175-64.7-68.6-82.400109.8Y165Y165-M167 HydrophobicContact CD1-CG 4.22Å; Y165-M167 HydrophobicContact CD1-SD 3.59Å; Y165-M167 VanDerWaalsContact CD1-SD 3.59Å; Y165-M167 HydrophobicContact CE1-CG 4.41Å; Y165-M167 HydrophobicContact CE1-SD 3.27Å; Y165-M167 WeakPolarHBondContact CE1-SD 3.27Å
168V74.3Confident65.1Low140 Ų140167.1 Ų167.185%0.84882%0.816SS**  trans-106.1123.9169.9-103.80000108.9
169F76.8Confident66.3Low183 Ų183171 Ų17180%0.80382%0.82SS**PPolyproline II helixtrans-88.3126.7177.7-62.8-85.1000109.7
170V70.6Confident67.3Low136 Ų136170.4 Ų170.482%0.82482%0.823SS**PPolyproline II helixtrans-81.9121.2170.2179.10000107.7S172V170-S172 PolarHBondContact O-N 3.47Å
171K64.7Low68.1Low198 Ų198171.8 Ų171.886%0.86183%0.831SS**PPolyproline II helixtrans-71.7125.3172.8-84.2167.873.6159.40109
172S63.8Low68.6Low119 Ų119167.8 Ų167.883%0.83283%0.831SS**PPolyproline II helixtrans-63.1137.1174-47.10000110.1V170V170-S172 PolarHBondContact O-N 3.47Å
173L60.4Low69.2Low249 Ų249169.9 Ų169.9100%1.30485%0.85SS**  trans-72.70173.8-79.4147.7000111.3

Retrieved 173 of 173 residues in 91.3 ms (Link to these results)