A0A3B3VDY0_9TELE Loading...

DAZ-associated protein 1

AlphaFold DB , UniProt , Accession A0A3B3VDY0, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 404 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
1M36.4Very low55.4Low215 Ų215102.5 Ų102.5100%1.05958%0.576SS**  0117.40-67.965.2169.200106.9N3M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 2.66Å
2N37.6Very low58.3Low162 Ų16297.9 Ų97.987%0.86655%0.545SS*.  trans-97.455.9-165.8-64.321.1000111.5N4N2-N4 VanDerWaalsContact C-N 3.35Å; N2-N4 PolarHBondContact O-N 3.04Å; N2-N4 VanDerWaalsContact O-N 3.07Å
3N48.4Very low60.9Low156 Ų15690.4 Ų90.483%0.83450%0.504SS*.  trans-80.183174.8-751.4000109.5M1M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 2.66Å
4N44.9Very low63.2Low140 Ų14087.6 Ų87.675%0.74948%0.484SS*.  trans-13150.8174-142.8-9.6000110.9N2 V6N2-N4 VanDerWaalsContact C-N 3.35Å; N2-N4 PolarHBondContact O-N 3.04Å; N2-N4 VanDerWaalsContact O-N 3.07Å; N4-V6 PolarHBondContact O-N 2.77Å
5L53.1Low65.2Low65 Ų6581.8 Ų81.834%0.3445%0.452SS..  trans-78.8111.4163.7-65.8178.9000107.5V10 C86L5-V10 HydrophobicContact CB-CG2 4.15Å; L5-V10 WeakPolarHBondContact O-CG2 3.25Å; L5-C86 WeakPolarHBondContact CD2-O 3.29Å
6V48.5Very low66.9Low110 Ų11077.3 Ų77.367%0.66743%0.429SS*.  trans-75.1166173.6-177.70000109.2N4N4-V6 PolarHBondContact O-N 2.77Å
7G62.3Low68.4Low57 Ų5774.8 Ų74.859%0.58843%0.425SS*.THydrogen-bonded Turntrans-50.5159-165.700000117.5E9G7-E9 PolarHBondContact O-N 3.19Å
8D58.3Low69.8Low110 Ų11070.8 Ų70.859%0.58840%0.402SS*.THydrogen-bonded Turntrans62.8-30.4-172.1-151.2-94.8000116.8V10 K58D8-V10 VanDerWaalsContact C-N 3.34Å; D8-K58 VanDerWaalsContact O-CE 3.3Å; D8-K58 WeakPolarHBondContact O-CE 3.43Å; D8-K58 PolarHBondContact O-NZ 3.08Å; D8-K58 IonicContact OD1-NZ 3.39Å; D8-K58 PolarHBondContact OD1-NZ 2.86Å; D8-K58 IonicContact OD2-NZ 3.04Å; D8-K58 PolarHBondContact OD2-NZ 3.05Å
9E65.8Low71Confident39 Ų3968.7 Ų68.718%0.18239%0.39CS..SBendtrans-84.7-11.6171.3-60-170.8132.700112.6G7 G11 K12 P88G7-E9 PolarHBondContact O-N 3.19Å; E9-G11 PolarHBondContact O-N 2.82Å; E9-K12 HydrophobicContact CG-CD 4.35Å; E9-K12 WeakPolarHBondContact O-CB 3.2Å; E9-K12 PolarHBondContact O-N 3.04Å; E9-P88 WeakPolarHBondContact OE2-CA 3.48Å; E9-P88 WeakPolarHBondContact OE2-CB 3.32Å; E9-P88 WeakPolarHBondContact OE2-CG 3.2Å
10V73.3Confident72Confident68 Ų6873.6 Ų73.641%0.41240%0.402SS..THydrogen-bonded Turntrans-60.4124163.9176.90000109.5L5 D8 K12 P62L5-V10 HydrophobicContact CB-CG2 4.15Å; L5-V10 WeakPolarHBondContact O-CG2 3.25Å; D8-V10 VanDerWaalsContact C-N 3.34Å; V10-K12 VanDerWaalsContact C-N 3.31Å; V10-P62 HydrophobicContact CG1-CB 3.68Å; V10-P62 HydrophobicContact CG1-CG 4.04Å
11G81.3Confident72.8Confident5 Ų573.9 Ų73.95%0.05241%0.409CS..THydrogen-bonded Turntrans82.44.1-17400000114.9E9 F59 V65E9-G11 PolarHBondContact O-N 2.82Å; G11-F59 PolarHBondContact O-N 3.37Å; G11-V65 VanDerWaalsContact C-CG2 3.47Å; G11-V65 WeakPolarHBondContact O-CG2 3.31Å
12K89.8Confident75.4Confident48 Ų4863.9 Ų63.921%0.20936%0.361CS..EExtended strand (participates in β ladder)trans-95.5134176.4-161.5173.7-177.1173.40112.1E9 V10 V57 C86E9-K12 HydrophobicContact CG-CD 4.35Å; E9-K12 WeakPolarHBondContact O-CB 3.2Å; E9-K12 PolarHBondContact O-N 3.04Å; V10-K12 VanDerWaalsContact C-N 3.31Å; K12-V57 WeakPolarHBondContact CA-O 3.39Å; K12-C86 HydrophobicContact CB-CB 3.86Å; K12-C86 HydrophobicContact CD-CB 4.28Å; K12-C86 HydrophobicContact CG-CB 3.88Å; K12-C86 WeakPolarHBondContact O-CB 3.34Å; K12-C86 PolarHBondContact O-N 3.31Å
13L91.6Very high78Confident0 Ų059.2 Ų59.20%034%0.338CS..EExtended strand (participates in β ladder)trans-118.2132.9-177.5-171.876.6000109.3V15 F31 F56 V57 F59 V65 V68 L69 P83 K84L13-V15 HydrophobicContact CD2-CG2 3.79Å; L13-V15 HydrophobicContact CG-CG2 4.13Å; L13-F31 HydrophobicContact CD2-CD1 4.25Å; L13-F31 HydrophobicContact CD2-CE1 3.85Å; L13-F31 HydrophobicContact CD2-CZ 4.2Å; L13-F56 CarbonylContact O-C 3.53Å; L13-F56 VanDerWaalsContact O-CA 3.29Å; L13-F56 WeakPolarHBondContact O-CA 3.42Å; L13-V57 HydrophobicContact CB-CB 4.46Å; L13-V57 PolarHBondContact N-O 3.17Å; L13-V57 PolarHBondContact O-N 3.42Å; L13-F59 HydrophobicContact CD2-CE2 4.26Å; L13-V65 HydrophobicContact CB-CG2 4.47Å; L13-V65 HydrophobicContact CD1-CG1 3.93Å; L13-V68 HydrophobicContact CD1-CG1 4.39Å; L13-V68 HydrophobicContact CD2-CG1 3.81Å; L13-L69 HydrophobicContact CD1-CD2 4.17Å; L13-L69 HydrophobicContact CD1-CG 4.29Å; L13-P83 HydrophobicContact CD1-CB 3.98Å; L13-P83 HydrophobicContact CD2-CB 3.74Å; L13-P83 HydrophobicContact CG-CB 4.04Å; L13-K84 WeakPolarHBondContact CD1-O 3.3Å
14F93.4Very high80.1Confident52 Ų5257.1 Ų57.123%0.22832%0.323CS..EExtended strand (participates in β ladder)trans-86.1135.6163.3169.1-88000108.5F54 F56 P83 K84F14-F54 HydrophobicContact CD2-CD2 4.36Å; F14-F54 HydrophobicContact CE2-CB 4.08Å; F14-F54 AromaticContact CE2-CD2 3.55Å; F14-F54 HydrophobicContact CE2-CD2 3.55Å; F14-F54 HydrophobicContact CE2-CE2 4.25Å; F14-F54 HydrophobicContact CE2-CG 4.07Å; F14-F54 HydrophobicContact CZ-CB 3.99Å; F14-F54 HydrophobicContact CZ-CD2 4.26Å; F14-F54 HydrophobicContact CZ-CG 4.34Å; F14-F56 HydrophobicContact CB-CD1 4.37Å; F14-F56 HydrophobicContact CB-CE1 4.25Å; F14-F56 HydrophobicContact CD2-CD1 4.46Å; F14-F56 AromaticContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CZ 4.12Å; F14-P83 CarbonylContact O-C 3.51Å; F14-P83 VanDerWaalsContact O-CA 3.3Å; F14-P83 WeakPolarHBondContact O-CA 3.41Å; F14-K84 HydrophobicContact CD1-CB 4.27Å; F14-K84 PolarHBondContact N-O 3.29Å; F14-K84 PolarHBondContact O-N 3.21Å
15V93.4Very high82.4Confident0 Ų057.8 Ų57.80%032%0.322CS..EExtended strand (participates in β ladder)trans-124.6109.2176.5-167.20000109.4L13 L18 L27 F31 F54 G55 V57 I81L13-V15 HydrophobicContact CD2-CG2 3.79Å; L13-V15 HydrophobicContact CG-CG2 4.13Å; V15-L18 HydrophobicContact CB-CD2 4.32Å; V15-L18 HydrophobicContact CG1-CD2 3.59Å; V15-L18 HydrophobicContact CG1-CG 4.42Å; V15-L27 HydrophobicContact CG1-CD1 4.47Å; V15-F31 HydrophobicContact CB-CE2 4.44Å; V15-F31 HydrophobicContact CG1-CE2 3.92Å; V15-F31 HydrophobicContact CG1-CZ 3.93Å; V15-F31 HydrophobicContact CG2-CE2 3.76Å; V15-F31 HydrophobicContact CG2-CZ 3.83Å; V15-F54 CarbonylContact O-C 3.52Å; V15-F54 WeakPolarHBondContact O-CA 3.42Å; V15-F54 WeakPolarHBondContact O-CB 3.39Å; V15-G55 PolarHBondContact N-O 2.83Å; V15-G55 PolarHBondContact O-N 2.98Å; V15-V57 HydrophobicContact CG2-CG2 3.97Å; V15-I81 HydrophobicContact CG1-CB 4.14Å; V15-I81 HydrophobicContact CG1-CD1 3.94Å; V15-I81 HydrophobicContact CG1-CG1 4.34Å
16G92.9Very high84.3Confident9 Ų957 Ų579%0.09332%0.32CS..EExtended strand (participates in β ladder)trans-98162.617500000112.4L18 I81 D82G16-L18 VanDerWaalsContact C-N 3.34Å; G16-I81 CarbonylContact O-C 3.55Å; G16-I81 WeakPolarHBondContact O-CA 3.43Å; G16-D82 PolarHBondContact N-O 3.07Å; G16-D82 PolarHBondContact O-N 3.07Å
17G91.6Very high86.5Confident35 Ų3551.8 Ų51.836%0.36129%0.288SS..SBendtrans80.911.6175.400000114.8G53 R79G17-G53 PolarHBondContact N-O 2.97Å; G17-R79 VanDerWaalsContact O-CD 3.3Å; G17-R79 WeakPolarHBondContact O-CD 3.39Å; G17-R79 WeakPolarHBondContact O-CG 3.35Å
18L93.4Very high88Confident3 Ų355.7 Ų55.72%0.01629%0.285CS..  trans-57.9151.2172.1-53.7-174000110.3V15 G16 T22 L27 I42 G53 L76 I81V15-L18 HydrophobicContact CB-CD2 4.32Å; V15-L18 HydrophobicContact CG1-CD2 3.59Å; V15-L18 HydrophobicContact CG1-CG 4.42Å; G16-L18 VanDerWaalsContact C-N 3.34Å; L18-T22 HydrophobicContact CB-CG2 4.37Å; L18-T22 HydrophobicContact CD1-CG2 4.44Å; L18-T22 HydrophobicContact CD2-CG2 4.5Å; L18-L27 HydrophobicContact CD1-CD1 4.01Å; L18-L27 HydrophobicContact CD1-CD2 4.17Å; L18-L27 HydrophobicContact CD2-CD1 3.63Å; L18-L27 HydrophobicContact CG-CD1 4.5Å; L18-I42 HydrophobicContact CD1-CD1 4.12Å; L18-I42 HydrophobicContact CD1-CG1 4.02Å; L18-G53 PolarHBondContact N-O 2.7Å; L18-G53 VanDerWaalsContact O-CA 3.32Å; L18-G53 WeakPolarHBondContact O-CA 3.42Å; L18-L76 HydrophobicContact CD2-CD2 4.14Å; L18-I81 HydrophobicContact CD2-CB 4.34Å; L18-I81 HydrophobicContact CD2-CG2 3.81Å
19D93Very high89.7Confident32 Ų3256.5 Ų56.517%0.17129%0.29CS..  trans-72.8166.4171.7-163.9-100.1000111.5S21 T22 S51 D77 R79D19-S21 VanDerWaalsContact C-N 3.27Å; D19-S21 WeakPolarHBondContact OD1-CB 3.4Å; D19-S21 PolarHBondContact OD1-N 3.26Å; D19-S21 PolarHBondContact OD1-OG 3.37Å; D19-T22 WeakPolarHBondContact CB-OG1 3.15Å; D19-T22 PolarHBondContact N-OG1 3.26Å; D19-S51 PolarHBondContact O-OG 3.37Å; D19-D77 HydrophobicContact CB-CB 4.37Å; D19-R79 IonicContact OD2-CZ 2.77Å; D19-R79 IonicContact OD2-NH1 2.63Å; D19-R79 PolarHBondContact OD2-NH1 3.2Å
20W90.6Very high91Very high165 Ų16556.6 Ų56.663%0.62529%0.289SS*.SBendtrans-72.8-24.4172.9-58.8-32.6000112.5S51W20-S51 WeakPolarHBondContact O-CB 3.26Å
21S88.9Confident92Very high80 Ų8053.4 Ų53.456%0.55927%0.269SS*.SBendtrans-82.8-23.3175.259.90000114D19 T23D19-S21 VanDerWaalsContact C-N 3.27Å; D19-S21 WeakPolarHBondContact OD1-CB 3.4Å; D19-S21 PolarHBondContact OD1-N 3.26Å; D19-S21 PolarHBondContact OD1-OG 3.37Å; S21-T23 PolarHBondContact O-N 3.18Å
22T90.7Very high92.6Very high6 Ų656 Ų564%0.03729%0.287CS..  trans-51.5128.4179.6-56.90000111.7L18 D19 L27 I42 L76 D77L18-T22 HydrophobicContact CB-CG2 4.37Å; L18-T22 HydrophobicContact CD1-CG2 4.44Å; L18-T22 HydrophobicContact CD2-CG2 4.5Å; D19-T22 WeakPolarHBondContact CB-OG1 3.15Å; D19-T22 PolarHBondContact N-OG1 3.26Å; T22-L27 HydrophobicContact CG2-CB 4.34Å; T22-I42 HydrophobicContact CG2-CD1 3.88Å; T22-I42 WeakPolarHBondContact O-CD1 3.3Å; T22-L76 HydrophobicContact CG2-CD2 3.66Å; T22-L76 HydrophobicContact CG2-CG 4.45Å; T22-D77 VanDerWaalsContact CA-OD2 3.23Å; T22-D77 WeakPolarHBondContact CA-OD2 3.42Å; T22-D77 WeakPolarHBondContact CB-OD2 3.5Å; T22-D77 WeakPolarHBondContact CG2-OD2 3.4Å; T22-D77 PolarHBondContact OG1-OD2 2.87Å
23T92.9Very high92.7Very high64 Ų6459.5 Ų59.539%0.39330%0.304SS..  trans-103.2164.8179.775.10000111.1S21 E25 T26 L27 I42S21-T23 PolarHBondContact O-N 3.18Å; T23-E25 PolarHBondContact O-N 3.14Å; T23-E25 PolarHBondContact OG1-N 3.04Å; T23-T26 PolarHBondContact N-OG1 3.16Å; T23-T26 VanDerWaalsContact N-OG1 3.11Å; T23-T26 PolarHBondContact O-N 2.89Å; T23-T26 PolarHBondContact O-OG1 3.39Å; T23-T26 PolarHBondContact OG1-N 3.22Å; T23-T26 VanDerWaalsContact OG1-N 3.09Å; T23-L27 VanDerWaalsContact O-CB 3.27Å; T23-L27 WeakPolarHBondContact O-CB 3.19Å; T23-L27 PolarHBondContact O-N 3.07Å; T23-I42 WeakPolarHBondContact O-CD1 3.17Å
24Q92.6Very high92.7Very high112 Ų11261.3 Ų61.352%0.52331%0.311SS..Hα-helixtrans-55.5-34.3171.9-175.7-17643.200111.1R28 C40Q24-R28 WeakPolarHBondContact O-CB 3.18Å; Q24-R28 PolarHBondContact O-N 3.22Å; Q24-C40 WeakPolarHBondContact CG-O 3.15Å; Q24-C40 VanDerWaalsContact CG-SG 3.57Å; Q24-C40 PolarHBondContact NE2-O 2.63Å
25E92.9Very high92.6Very high154 Ų15459.9 Ų59.972%0.7231%0.31SS*.Hα-helixtrans-74.3-46.5-179.9-174.1173.1-157.900112.8T23 L27 R28 N29T23-E25 PolarHBondContact O-N 3.14Å; T23-E25 PolarHBondContact OG1-N 3.04Å; E25-L27 VanDerWaalsContact C-N 3.31Å; E25-L27 PolarHBondContact O-N 3.49Å; E25-R28 PolarHBondContact O-N 3.37Å; E25-N29 VanDerWaalsContact O-CB 3.31Å; E25-N29 WeakPolarHBondContact O-CB 3.43Å; E25-N29 PolarHBondContact O-N 3.32Å
26T93.5Very high92.6Very high49 Ų4964.8 Ų64.830%0.30133%0.334SS..Hα-helixtrans-64.1-40175.962.70000111T23 Y30 D77T23-T26 PolarHBondContact N-OG1 3.16Å; T23-T26 VanDerWaalsContact N-OG1 3.11Å; T23-T26 PolarHBondContact O-N 2.89Å; T23-T26 PolarHBondContact O-OG1 3.39Å; T23-T26 PolarHBondContact OG1-N 3.22Å; T23-T26 VanDerWaalsContact OG1-N 3.09Å; T26-Y30 WeakPolarHBondContact O-CB 3.34Å; T26-Y30 PolarHBondContact O-N 3.37Å; T26-D77 PolarHBondContact OG1-OD2 2.92Å
27L94Very high92.7Very high0 Ų064.6 Ų64.60%033%0.33CS..Hα-helixtrans-60.3-48.1172.8-17270.8000112.1V15 L18 T22 T23 E25 F31 I42 V57 L76V15-L27 HydrophobicContact CG1-CD1 4.47Å; L18-L27 HydrophobicContact CD1-CD1 4.01Å; L18-L27 HydrophobicContact CD1-CD2 4.17Å; L18-L27 HydrophobicContact CD2-CD1 3.63Å; L18-L27 HydrophobicContact CG-CD1 4.5Å; T22-L27 HydrophobicContact CG2-CB 4.34Å; T23-L27 VanDerWaalsContact O-CB 3.27Å; T23-L27 WeakPolarHBondContact O-CB 3.19Å; T23-L27 PolarHBondContact O-N 3.07Å; E25-L27 VanDerWaalsContact C-N 3.31Å; E25-L27 PolarHBondContact O-N 3.49Å; L27-F31 HydrophobicContact CD1-CD2 3.83Å; L27-F31 HydrophobicContact CD1-CE2 3.61Å; L27-F31 HydrophobicContact CG-CD2 4.18Å; L27-F31 HydrophobicContact CG-CE2 4.43Å; L27-F31 WeakPolarHBondContact O-CD2 3.3Å; L27-F31 PolarHBondContact O-N 2.91Å; L27-I42 HydrophobicContact CB-CD1 4.38Å; L27-I42 HydrophobicContact CD2-CD1 4.21Å; L27-I42 HydrophobicContact CD2-CG1 3.76Å; L27-V57 HydrophobicContact CD1-CG2 4.48Å; L27-V57 HydrophobicContact CD2-CG2 3.94Å; L27-V57 HydrophobicContact CG-CG2 4.03Å; L27-L76 HydrophobicContact CD1-CD2 3.93Å
28R94.2Very high92.7Very high138 Ų13867 Ų6752%0.52134%0.338SS..Hα-helixtrans-62.4-49.3178.9-171-178.9-173.8-1561111.5Q24 E25 Y30 F31 S32 V37Q24-R28 WeakPolarHBondContact O-CB 3.18Å; Q24-R28 PolarHBondContact O-N 3.22Å; E25-R28 PolarHBondContact O-N 3.37Å; R28-Y30 VanDerWaalsContact C-N 3.33Å; R28-Y30 PolarHBondContact O-N 2.96Å; R28-F31 PolarHBondContact O-N 3.01Å; R28-S32 VanDerWaalsContact O-CB 3.31Å; R28-S32 WeakPolarHBondContact O-CB 3.42Å; R28-S32 PolarHBondContact O-N 3.11Å; R28-V37 HydrophobicContact CG-CB 4.06Å; R28-V37 HydrophobicContact CG-CG1 4.01Å; R28-V37 PolarHBondContact NH2-O 3.49Å
29N94.2Very high92.6Very high127 Ų12770.3 Ų70.368%0.67936%0.356SS*.Hα-helixtrans-60.8-44.1-178-170.841.7000111E25 S32E25-N29 VanDerWaalsContact O-CB 3.31Å; E25-N29 WeakPolarHBondContact O-CB 3.43Å; E25-N29 PolarHBondContact O-N 3.32Å; N29-S32 PolarHBondContact O-N 3.2Å
30Y93.8Very high92.6Very high42 Ų4269 Ų6917%0.16535%0.349CS..Hα-helixtrans-60.5-50.6174.6-177.6-94.6000112.3T26 R28 S32 Q33 Y34 H74 N75 L76 I81T26-Y30 WeakPolarHBondContact O-CB 3.34Å; T26-Y30 PolarHBondContact O-N 3.37Å; R28-Y30 VanDerWaalsContact C-N 3.33Å; R28-Y30 PolarHBondContact O-N 2.96Å; Y30-S32 VanDerWaalsContact C-N 3.27Å; Y30-S32 PolarHBondContact O-N 3.03Å; Y30-Q33 VanDerWaalsContact O-CG 3.29Å; Y30-Q33 WeakPolarHBondContact O-CG 3.29Å; Y30-Q33 PolarHBondContact O-N 2.69Å; Y30-Q33 PolarHBondContact O-NE2 3.18Å; Y30-Y34 AromaticContact CE1-CE2 3.99Å; Y30-Y34 HydrophobicContact CE1-CE2 3.99Å; Y30-Y34 PolarHBondContact OH-OH 3.49Å; Y30-H74 HydrophobicContact CE1-CB 4.29Å; Y30-H74 AromaticContact CE1-ND1 3.88Å; Y30-H74 AromaticContact CZ-ND1 3.93Å; Y30-H74 WeakPolarHBondContact OH-CB 3.38Å; Y30-H74 PolarHBondContact OH-ND1 3.16Å; Y30-H74 VanDerWaalsContact OH-ND1 3.08Å; Y30-N75 VanDerWaalsContact CE2-O 3.23Å; Y30-N75 WeakPolarHBondContact CE2-O 3.49Å; Y30-L76 HydrophobicContact CD2-CD1 4.01Å; Y30-L76 HydrophobicContact CG-CD1 3.87Å; Y30-I81 HydrophobicContact CD1-CD1 4.2Å; Y30-I81 HydrophobicContact CE1-CD1 3.92Å
31F93.9Very high92.6Very high0 Ų063.9 Ų63.90%034%0.336CS..Hα-helixtrans-72-21.1-178.7-79.3-68.2000113.8L13 V15 L27 R28 Q33 Y34 V37 V57 F59 V68 I81 P83L13-F31 HydrophobicContact CD2-CD1 4.25Å; L13-F31 HydrophobicContact CD2-CE1 3.85Å; L13-F31 HydrophobicContact CD2-CZ 4.2Å; V15-F31 HydrophobicContact CB-CE2 4.44Å; V15-F31 HydrophobicContact CG1-CE2 3.92Å; V15-F31 HydrophobicContact CG1-CZ 3.93Å; V15-F31 HydrophobicContact CG2-CE2 3.76Å; V15-F31 HydrophobicContact CG2-CZ 3.83Å; L27-F31 HydrophobicContact CD1-CD2 3.83Å; L27-F31 HydrophobicContact CD1-CE2 3.61Å; L27-F31 HydrophobicContact CG-CD2 4.18Å; L27-F31 HydrophobicContact CG-CE2 4.43Å; L27-F31 WeakPolarHBondContact O-CD2 3.3Å; L27-F31 PolarHBondContact O-N 2.91Å; R28-F31 PolarHBondContact O-N 3.01Å; F31-Q33 PolarHBondContact O-N 3.28Å; F31-Q33 VanDerWaalsContact O-N 3.13Å; F31-Y34 AromaticContact CD1-CD2 3.99Å; F31-Y34 HydrophobicContact CD1-CD2 3.99Å; F31-Y34 HydrophobicContact CD1-CE2 4.26Å; F31-Y34 PolarHBondContact O-N 3.07Å; F31-V37 HydrophobicContact CB-CG2 3.97Å; F31-V57 HydrophobicContact CB-CG1 4.07Å; F31-V57 HydrophobicContact CD2-CG2 3.81Å; F31-V57 HydrophobicContact CE2-CG2 4.3Å; F31-V57 HydrophobicContact CG-CG1 4.34Å; F31-V57 HydrophobicContact CG-CG2 4.33Å; F31-F59 HydrophobicContact CB-CE1 4.38Å; F31-F59 HydrophobicContact CB-CZ 3.93Å; F31-F59 HydrophobicContact CD1-CZ 4.04Å; F31-F59 HydrophobicContact CG-CZ 4.34Å; F31-F59 WeakPolarHBondContact O-CE1 3.31Å; F31-V68 HydrophobicContact CD1-CG1 4.42Å; F31-V68 HydrophobicContact CD1-CG2 4.05Å; F31-V68 HydrophobicContact CE1-CG1 3.76Å; F31-V68 HydrophobicContact CE1-CG2 4.2Å; F31-I81 HydrophobicContact CE2-CD1 3.89Å; F31-I81 HydrophobicContact CZ-CD1 3.68Å; F31-P83 HydrophobicContact CZ-CB 4.49Å
32S93.5Very high92.9Very high61 Ų6160.9 Ų60.943%0.42731%0.314SS..THydrogen-bonded Turntrans-62.6-16.8175.8-1630000114.1R28 N29 Y30 Y34 G35R28-S32 VanDerWaalsContact O-CB 3.31Å; R28-S32 WeakPolarHBondContact O-CB 3.42Å; R28-S32 PolarHBondContact O-N 3.11Å; N29-S32 PolarHBondContact O-N 3.2Å; Y30-S32 VanDerWaalsContact C-N 3.27Å; Y30-S32 PolarHBondContact O-N 3.03Å; S32-Y34 PolarHBondContact O-N 3Å; S32-G35 WeakPolarHBondContact CA-O 3.31Å
33Q92.5Very high93Very high121 Ų12162.9 Ų62.957%0.56532%0.323SS*.THydrogen-bonded Turntrans-68.1-20.617383.8-168.5-93.300113Y30 F31Y30-Q33 VanDerWaalsContact O-CG 3.29Å; Y30-Q33 WeakPolarHBondContact O-CG 3.29Å; Y30-Q33 PolarHBondContact O-N 2.69Å; Y30-Q33 PolarHBondContact O-NE2 3.18Å; F31-Q33 PolarHBondContact O-N 3.28Å; F31-Q33 VanDerWaalsContact O-N 3.13Å
34Y91Very high92.9Very high38 Ų3865.5 Ų65.515%0.14933%0.329CS..SBendtrans-101.5-10-178.5-54.1-76.5000113.5Y30 F31 S32 C64 T67 V68 T71 H74Y30-Y34 AromaticContact CE1-CE2 3.99Å; Y30-Y34 HydrophobicContact CE1-CE2 3.99Å; Y30-Y34 PolarHBondContact OH-OH 3.49Å; F31-Y34 AromaticContact CD1-CD2 3.99Å; F31-Y34 HydrophobicContact CD1-CD2 3.99Å; F31-Y34 HydrophobicContact CD1-CE2 4.26Å; F31-Y34 PolarHBondContact O-N 3.07Å; S32-Y34 PolarHBondContact O-N 3Å; Y34-C64 PolarHBondContact O-SG 2.93Å; Y34-T67 HydrophobicContact CD1-CG2 4.49Å; Y34-V68 HydrophobicContact CD1-CG2 4.15Å; Y34-V68 HydrophobicContact CD2-CG2 3.59Å; Y34-V68 HydrophobicContact CE2-CG2 4.23Å; Y34-V68 HydrophobicContact CG-CG2 3.54Å; Y34-T71 HydrophobicContact CE1-CG2 4.13Å; Y34-H74 AromaticContact CZ-CE1 3.73Å; Y34-H74 AromaticContact CZ-ND1 3.86Å; Y34-H74 PolarHBondContact OH-CE1 2.96Å; Y34-H74 PolarHBondContact OH-ND1 3.1Å; Y34-H74 VanDerWaalsContact OH-ND1 3.14Å
35G91.1Very high92.8Very high21 Ų2162.6 Ų62.622%0.21632%0.317CS..SBendtrans153.5172.4-179.800000113.9S32 V37S32-G35 WeakPolarHBondContact CA-O 3.31Å; G35-V37 PolarHBondContact O-N 2.77Å
36E93.6Very high92.6Very high104 Ų10464.9 Ų64.949%0.48633%0.325SS..  trans-68.5114.7-176-168.3179.6139.200111.7F59 K60E36-F59 WeakPolarHBondContact O-CA 3.39Å; E36-K60 HydrophobicContact CB-CB 4.09Å; E36-K60 HydrophobicContact CB-CD 4.09Å; E36-K60 HydrophobicContact CG-CD 4.07Å; E36-K60 PolarHBondContact O-N 3.02Å; E36-K60 VanDerWaalsContact OE1-CD 3.25Å; E36-K60 WeakPolarHBondContact OE1-CD 3.03Å; E36-K60 IonicContact OE1-NZ 2.77Å; E36-K60 PolarHBondContact OE1-NZ 3.25Å; E36-K60 VanDerWaalsContact OE2-CD 3.29Å; E36-K60 WeakPolarHBondContact OE2-CD 3.45Å; E36-K60 IonicContact OE2-NZ 2.66Å; E36-K60 PolarHBondContact OE2-NZ 2.9Å
37V94.3Very high92.4Very high4 Ų467.5 Ų67.52%0.02434%0.341CS..EExtended strand (participates in β ladder)trans-85.7113.2176.4177.90000110.1R28 F31 G35 D39 C40 V57 F59R28-V37 HydrophobicContact CG-CB 4.06Å; R28-V37 HydrophobicContact CG-CG1 4.01Å; R28-V37 PolarHBondContact NH2-O 3.49Å; F31-V37 HydrophobicContact CB-CG2 3.97Å; G35-V37 PolarHBondContact O-N 2.77Å; V37-D39 WeakPolarHBondContact CG1-O 3.19Å; V37-C40 HydrophobicContact CG1-CB 4.03Å; V37-V57 HydrophobicContact CG1-CG1 3.79Å; V37-V57 HydrophobicContact CG2-CG1 3.91Å; V37-F59 HydrophobicContact CG2-CD1 4.07Å; V37-F59 HydrophobicContact CG2-CE1 3.77Å; V37-F59 HydrophobicContact CG2-CZ 4.43Å
38V92.4Very high92.1Very high87 Ų8771.7 Ų71.753%0.52737%0.366SS..EExtended strand (participates in β ladder)trans-82.3-44.2-179.7176.40000111.3K58 K60V38-K58 PolarHBondContact N-O 2.95Å; V38-K60 HydrophobicContact CG2-CB 3.65Å; V38-K60 HydrophobicContact CG2-CG 4.3Å
39D90.7Very high91.8Very high72 Ų7270.7 Ų70.739%0.38537%0.371SS..EExtended strand (participates in β ladder)trans-140.5150.2176.9174.941.9000110.2V37 K58V37-D39 WeakPolarHBondContact CG1-O 3.19Å; D39-K58 HydrophobicContact CB-CB 4.15Å; D39-K58 PolarHBondContact N-O 2.77Å; D39-K58 PolarHBondContact O-N 2.88Å
40C92.6Very high91.5Very high5 Ų569.4 Ų69.43%0.03436%0.361CS..EExtended strand (participates in β ladder)trans-153.8134.5171.653.30000110Q24 V37 F56 V57Q24-C40 WeakPolarHBondContact CG-O 3.15Å; Q24-C40 VanDerWaalsContact CG-SG 3.57Å; Q24-C40 PolarHBondContact NE2-O 2.63Å; V37-C40 HydrophobicContact CG1-CB 4.03Å; C40-F56 CarbonylContact C-O 3.6Å; C40-F56 VanDerWaalsContact CA-O 3.26Å; C40-F56 WeakPolarHBondContact CA-O 3.21Å; C40-V57 HydrophobicContact CB-CG2 4.2Å
41V92.1Very high91.4Very high57 Ų5767.8 Ų67.835%0.34536%0.356SS..EExtended strand (participates in β ladder)trans-138.3116.9-173.5-179.30000110M43 G55 F56V41-M43 HydrophobicContact CG1-SD 4.42Å; V41-G55 CarbonylContact O-C 3.52Å; V41-G55 WeakPolarHBondContact O-CA 3.38Å; V41-F56 PolarHBondContact N-O 3.14Å; V41-F56 PolarHBondContact O-N 3.41Å
42I93.9Very high91.2Very high17 Ų1774.4 Ų74.49%0.08738%0.381CS..EExtended strand (participates in β ladder)trans-84.1125.2168.4-65.1-175.9000108.9L18 T22 T23 L27 K44L18-I42 HydrophobicContact CD1-CD1 4.12Å; L18-I42 HydrophobicContact CD1-CG1 4.02Å; T22-I42 HydrophobicContact CG2-CD1 3.88Å; T22-I42 WeakPolarHBondContact O-CD1 3.3Å; T23-I42 WeakPolarHBondContact O-CD1 3.17Å; L27-I42 HydrophobicContact CB-CD1 4.38Å; L27-I42 HydrophobicContact CD2-CD1 4.21Å; L27-I42 HydrophobicContact CD2-CG1 3.76Å; I42-K44 PolarHBondContact O-N 3.14Å
43M92.6Very high91.1Very high47 Ų4772.1 Ų72.123%0.23237%0.367CS..EExtended strand (participates in β ladder)trans-77.6108.2-179.5-69.8-62.9-59.700109.4V41 R52 F54 F56V41-M43 HydrophobicContact CG1-SD 4.42Å; M43-R52 WeakPolarHBondContact O-CB 3.33Å; M43-R52 WeakPolarHBondContact O-CG 3.46Å; M43-R52 PolarHBondContact O-N 3.33Å; M43-F54 HydrophobicContact CB-CD2 4.08Å; M43-F54 HydrophobicContact CB-CE1 4.21Å; M43-F54 HydrophobicContact CB-CE2 3.67Å; M43-F54 HydrophobicContact CB-CZ 3.73Å; M43-F54 HydrophobicContact CG-CD2 4.01Å; M43-F54 HydrophobicContact CG-CE2 3.5Å; M43-F54 HydrophobicContact CG-CZ 4Å; M43-F54 PolarHBondContact N-O 2.75Å; M43-F56 HydrophobicContact CG-CD2 4.18Å; M43-F56 HydrophobicContact CG-CE2 3.92Å; M43-F56 HydrophobicContact SD-CE2 4.3Å
44K92.6Very high91.2Very high120 Ų12068.5 Ų68.552%0.52235%0.349SS..EExtended strand (participates in β ladder)trans-93.1158175.2-66.4175.3173.9-171.10111.6I42 N49 Q50 R52I42-K44 PolarHBondContact O-N 3.14Å; K44-N49 WeakPolarHBondContact CD-O 3.24Å; K44-Q50 CarbonylContact C-O 3.45Å; K44-Q50 WeakPolarHBondContact CA-O 3.35Å; K44-R52 WeakPolarHBondContact O-CD 3.36Å
45D90.1Very high91.4Very high51 Ų5166.7 Ų66.727%0.27334%0.342SS..  trans-75.5133.6168.3-172.8-70.6000109.8T47 T48 N49 Q50 R52D45-T47 VanDerWaalsContact C-N 3.26Å; D45-T47 PolarHBondContact O-N 3.44Å; D45-T47 WeakPolarHBondContact OD1-CA 3.3Å; D45-T47 WeakPolarHBondContact OD1-CB 3.29Å; D45-T47 PolarHBondContact OD1-N 2.78Å; D45-T47 PolarHBondContact OD1-OG1 2.8Å; D45-T48 PolarHBondContact OD1-N 2.89Å; D45-N49 WeakPolarHBondContact O-CA 3.27Å; D45-N49 PolarHBondContact O-N 3.33Å; D45-Q50 PolarHBondContact N-O 3.37Å; D45-R52 HydrophobicContact CB-CG 4.42Å
46K88.3Confident91.5Very high202 Ų20267.6 Ų67.688%0.87834%0.341SS*.THydrogen-bonded Turntrans-68.6-21.5-176.2-69.3-173.2175.5-173.80114
47T88.3Confident91.6Very high104 Ų10462.7 Ų62.764%0.63832%0.317SS*.THydrogen-bonded Turntrans-96.2-33.3-177.658.50000113.4D45D45-T47 VanDerWaalsContact C-N 3.26Å; D45-T47 PolarHBondContact O-N 3.44Å; D45-T47 WeakPolarHBondContact OD1-CA 3.3Å; D45-T47 WeakPolarHBondContact OD1-CB 3.29Å; D45-T47 PolarHBondContact OD1-N 2.78Å; D45-T47 PolarHBondContact OD1-OG1 2.8Å
48T88.1Confident91.4Very high87 Ų8764.5 Ų64.553%0.53433%0.325SS..THydrogen-bonded Turntrans-109-9.1-179.166.50000114.3D45 Q50D45-T48 PolarHBondContact OD1-N 2.89Å; T48-Q50 PolarHBondContact O-N 3.41Å; T48-Q50 WeakPolarHBondContact OG1-CB 3.35Å; T48-Q50 PolarHBondContact OG1-N 3.13Å
49N88.1Confident91.5Very high117 Ų11760.6 Ų60.663%0.62630%0.301SS*.  trans55.89.3-170.7-75.2-77.5000115.5K44 D45K44-N49 WeakPolarHBondContact CD-O 3.24Å; D45-N49 WeakPolarHBondContact O-CA 3.27Å; D45-N49 PolarHBondContact O-N 3.33Å
50Q87.9Confident91.5Very high100 Ų10062.8 Ų62.847%0.46731%0.307SS..  trans-71.7143177.2-167.3178.19.900111.1K44 D45 T48 R52K44-Q50 CarbonylContact C-O 3.45Å; K44-Q50 WeakPolarHBondContact CA-O 3.35Å; D45-Q50 PolarHBondContact N-O 3.37Å; T48-Q50 PolarHBondContact O-N 3.41Å; T48-Q50 WeakPolarHBondContact OG1-CB 3.35Å; T48-Q50 PolarHBondContact OG1-N 3.13Å; Q50-R52 PolarHBondContact O-N 3.29Å
51S91.7Very high91.4Very high9 Ų966.5 Ų66.56%0.06333%0.327CS..EExtended strand (participates in β ladder)trans-58.5133.6170167.90000110.6D19 W20 G53D19-S51 PolarHBondContact O-OG 3.37Å; W20-S51 WeakPolarHBondContact O-CB 3.26Å; S51-G53 PolarHBondContact O-N 3.38Å; S51-G53 PolarHBondContact OG-N 2.84Å
52R90.6Very high91.1Very high138 Ų13866.7 Ų66.752%0.52133%0.329SS..EExtended strand (participates in β ladder)trans-84.38.8176.5-60.3169.860.2-176.6-2.9112.9M43 K44 D45 Q50 F54M43-R52 WeakPolarHBondContact O-CB 3.33Å; M43-R52 WeakPolarHBondContact O-CG 3.46Å; M43-R52 PolarHBondContact O-N 3.33Å; K44-R52 WeakPolarHBondContact O-CD 3.36Å; D45-R52 HydrophobicContact CB-CG 4.42Å; Q50-R52 PolarHBondContact O-N 3.29Å; R52-F54 VanDerWaalsContact C-N 3.31Å; R52-F54 HydrophobicContact CB-CD1 3.85Å; R52-F54 HydrophobicContact CB-CE1 3.64Å; R52-F54 WeakPolarHBondContact O-CD1 3.23Å; R52-F54 PolarHBondContact O-N 3.45Å
53G91Very high90.9Very high13 Ų1371.6 Ų71.613%0.13436%0.355CS..EExtended strand (participates in β ladder)trans72.819.4-178.500000114.6G17 L18 S51G17-G53 PolarHBondContact N-O 2.97Å; L18-G53 PolarHBondContact N-O 2.7Å; L18-G53 VanDerWaalsContact O-CA 3.32Å; L18-G53 WeakPolarHBondContact O-CA 3.42Å; S51-G53 PolarHBondContact O-N 3.38Å; S51-G53 PolarHBondContact OG-N 2.84Å
54F94.6Very high90.7Very high45 Ų4570 Ų7020%0.19735%0.349CS..EExtended strand (participates in β ladder)trans-151.9158.3173.274.1-85.7000112.4F14 V15 M43 R52 F56F14-F54 HydrophobicContact CD2-CD2 4.36Å; F14-F54 HydrophobicContact CE2-CB 4.08Å; F14-F54 AromaticContact CE2-CD2 3.55Å; F14-F54 HydrophobicContact CE2-CD2 3.55Å; F14-F54 HydrophobicContact CE2-CE2 4.25Å; F14-F54 HydrophobicContact CE2-CG 4.07Å; F14-F54 HydrophobicContact CZ-CB 3.99Å; F14-F54 HydrophobicContact CZ-CD2 4.26Å; F14-F54 HydrophobicContact CZ-CG 4.34Å; V15-F54 CarbonylContact O-C 3.52Å; V15-F54 WeakPolarHBondContact O-CA 3.42Å; V15-F54 WeakPolarHBondContact O-CB 3.39Å; M43-F54 HydrophobicContact CB-CD2 4.08Å; M43-F54 HydrophobicContact CB-CE1 4.21Å; M43-F54 HydrophobicContact CB-CE2 3.67Å; M43-F54 HydrophobicContact CB-CZ 3.73Å; M43-F54 HydrophobicContact CG-CD2 4.01Å; M43-F54 HydrophobicContact CG-CE2 3.5Å; M43-F54 HydrophobicContact CG-CZ 4Å; M43-F54 PolarHBondContact N-O 2.75Å; R52-F54 VanDerWaalsContact C-N 3.31Å; R52-F54 HydrophobicContact CB-CD1 3.85Å; R52-F54 HydrophobicContact CB-CE1 3.64Å; R52-F54 WeakPolarHBondContact O-CD1 3.23Å; R52-F54 PolarHBondContact O-N 3.45Å; F54-F56 HydrophobicContact CE2-CE2 4.3Å
55G94Very high90.5Very high0 Ų065 Ų650%033%0.328CS..EExtended strand (participates in β ladder)trans-152-175.4176.600000112.7V15 V41V15-G55 PolarHBondContact N-O 2.83Å; V15-G55 PolarHBondContact O-N 2.98Å; V41-G55 CarbonylContact O-C 3.52Å; V41-G55 WeakPolarHBondContact O-CA 3.38Å
56F94.4Very high90.4Very high41 Ų4170.7 Ų70.718%0.1835%0.346CS..EExtended strand (participates in β ladder)trans-124.3148172.2-61.5-86.5000109.5L13 F14 C40 V41 M43 F54L13-F56 CarbonylContact O-C 3.53Å; L13-F56 VanDerWaalsContact O-CA 3.29Å; L13-F56 WeakPolarHBondContact O-CA 3.42Å; F14-F56 HydrophobicContact CB-CD1 4.37Å; F14-F56 HydrophobicContact CB-CE1 4.25Å; F14-F56 HydrophobicContact CD2-CD1 4.46Å; F14-F56 AromaticContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CZ 4.12Å; C40-F56 CarbonylContact C-O 3.6Å; C40-F56 VanDerWaalsContact CA-O 3.26Å; C40-F56 WeakPolarHBondContact CA-O 3.21Å; V41-F56 PolarHBondContact N-O 3.14Å; V41-F56 PolarHBondContact O-N 3.41Å; M43-F56 HydrophobicContact CG-CD2 4.18Å; M43-F56 HydrophobicContact CG-CE2 3.92Å; M43-F56 HydrophobicContact SD-CE2 4.3Å; F54-F56 HydrophobicContact CE2-CE2 4.3Å
57V94.3Very high90.5Very high0 Ų064.4 Ų64.40%033%0.325CS..EExtended strand (participates in β ladder)trans-131.6134.8174179.60000107.5K12 L13 V15 L27 F31 V37 C40 F59K12-V57 WeakPolarHBondContact CA-O 3.39Å; L13-V57 HydrophobicContact CB-CB 4.46Å; L13-V57 PolarHBondContact N-O 3.17Å; L13-V57 PolarHBondContact O-N 3.42Å; V15-V57 HydrophobicContact CG2-CG2 3.97Å; L27-V57 HydrophobicContact CD1-CG2 4.48Å; L27-V57 HydrophobicContact CD2-CG2 3.94Å; L27-V57 HydrophobicContact CG-CG2 4.03Å; F31-V57 HydrophobicContact CB-CG1 4.07Å; F31-V57 HydrophobicContact CD2-CG2 3.81Å; F31-V57 HydrophobicContact CE2-CG2 4.3Å; F31-V57 HydrophobicContact CG-CG1 4.34Å; F31-V57 HydrophobicContact CG-CG2 4.33Å; V37-V57 HydrophobicContact CG1-CG1 3.79Å; V37-V57 HydrophobicContact CG2-CG1 3.91Å; C40-V57 HydrophobicContact CB-CG2 4.2Å; V57-F59 HydrophobicContact CG1-CD2 4.47Å; V57-F59 HydrophobicContact CG1-CE2 4.1Å; V57-F59 HydrophobicContact CG1-CZ 4.26Å
58K91.9Very high90.6Very high42 Ų4259.5 Ų59.518%0.18329%0.294CS..EExtended strand (participates in β ladder)trans-119.1114.9176.9-171178-179179.30108.8D8 V38 D39D8-K58 VanDerWaalsContact O-CE 3.3Å; D8-K58 WeakPolarHBondContact O-CE 3.43Å; D8-K58 PolarHBondContact O-NZ 3.08Å; D8-K58 IonicContact OD1-NZ 3.39Å; D8-K58 PolarHBondContact OD1-NZ 2.86Å; D8-K58 IonicContact OD2-NZ 3.04Å; D8-K58 PolarHBondContact OD2-NZ 3.05Å; V38-K58 PolarHBondContact N-O 2.95Å; D39-K58 HydrophobicContact CB-CB 4.15Å; D39-K58 PolarHBondContact N-O 2.77Å; D39-K58 PolarHBondContact O-N 2.88Å
59F93.8Very high90.7Very high6 Ų657.8 Ų57.83%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-81.3155.1173-69.2-81.6000110.8G11 L13 F31 E36 V37 V57 D61 C64 V65 V68G11-F59 PolarHBondContact O-N 3.37Å; L13-F59 HydrophobicContact CD2-CE2 4.26Å; F31-F59 HydrophobicContact CB-CE1 4.38Å; F31-F59 HydrophobicContact CB-CZ 3.93Å; F31-F59 HydrophobicContact CD1-CZ 4.04Å; F31-F59 HydrophobicContact CG-CZ 4.34Å; F31-F59 WeakPolarHBondContact O-CE1 3.31Å; E36-F59 WeakPolarHBondContact O-CA 3.39Å; V37-F59 HydrophobicContact CG2-CD1 4.07Å; V37-F59 HydrophobicContact CG2-CE1 3.77Å; V37-F59 HydrophobicContact CG2-CZ 4.43Å; V57-F59 HydrophobicContact CG1-CD2 4.47Å; V57-F59 HydrophobicContact CG1-CE2 4.1Å; V57-F59 HydrophobicContact CG1-CZ 4.26Å; F59-D61 WeakPolarHBondContact CB-O 3.39Å; F59-C64 HydrophobicContact CB-CB 3.98Å; F59-C64 HydrophobicContact CD1-CB 3.6Å; F59-C64 HydrophobicContact CD2-CB 4.02Å; F59-C64 HydrophobicContact CE1-CB 4.02Å; F59-C64 HydrophobicContact CE2-CB 4.39Å; F59-C64 HydrophobicContact CG-CB 3.59Å; F59-C64 HydrophobicContact CZ-CB 4.38Å; F59-V65 HydrophobicContact CD2-CG2 3.88Å; F59-V68 HydrophobicContact CE2-CG2 4.21Å; F59-V68 HydrophobicContact CZ-CG2 4Å
60K91Very high90.7Very high118 Ų11858.6 Ų58.651%0.51328%0.282SS..SBendtrans-65.1-48.9167.7-171.4167.8178.9173.80110.8E36 V38E36-K60 HydrophobicContact CB-CB 4.09Å; E36-K60 HydrophobicContact CB-CD 4.09Å; E36-K60 HydrophobicContact CG-CD 4.07Å; E36-K60 PolarHBondContact O-N 3.02Å; E36-K60 VanDerWaalsContact OE1-CD 3.25Å; E36-K60 WeakPolarHBondContact OE1-CD 3.03Å; E36-K60 IonicContact OE1-NZ 2.77Å; E36-K60 PolarHBondContact OE1-NZ 3.25Å; E36-K60 VanDerWaalsContact OE2-CD 3.29Å; E36-K60 WeakPolarHBondContact OE2-CD 3.45Å; E36-K60 IonicContact OE2-NZ 2.66Å; E36-K60 PolarHBondContact OE2-NZ 2.9Å; V38-K60 HydrophobicContact CG2-CB 3.65Å; V38-K60 HydrophobicContact CG2-CG 4.3Å
61D89.3Confident90.6Very high83 Ų8357 Ų5744%0.44428%0.279SS..SBendtrans-98.1121.7178.6-66.3-74.1000110.6F59 N63 C64F59-D61 WeakPolarHBondContact CB-O 3.39Å; D61-N63 PolarHBondContact O-N 2.76Å; D61-N63 VanDerWaalsContact O-N 3.16Å; D61-C64 WeakPolarHBondContact O-CB 3.4Å; D61-C64 PolarHBondContact O-N 2.87Å
62P87.1Confident90.3Very high60 Ų6061 Ų6139%0.3930%0.295SS..THydrogen-bonded Turntrans-67.7-17.5-17927.3-34.6000113.4V10 C64 V65V10-P62 HydrophobicContact CG1-CB 3.68Å; V10-P62 HydrophobicContact CG1-CG 4.04Å; P62-C64 VanDerWaalsContact C-N 3.25Å; P62-C64 PolarHBondContact O-N 3.07Å; P62-V65 WeakPolarHBondContact O-CB 3.22Å; P62-V65 PolarHBondContact O-N 2.62Å
63N88.4Confident90.1Very high120 Ų12059.7 Ų59.764%0.64231%0.305SS*.Hα-helixtrans-61.9-32.6174.7-64.9-35.9000112.2D61 V65 R66 T67D61-N63 PolarHBondContact O-N 2.76Å; D61-N63 VanDerWaalsContact O-N 3.16Å; N63-V65 PolarHBondContact O-N 2.85Å; N63-R66 WeakPolarHBondContact O-CB 3.07Å; N63-R66 PolarHBondContact O-N 3.06Å; N63-T67 PolarHBondContact O-N 2.93Å; N63-T67 PolarHBondContact O-OG1 3.47Å
64C89.3Confident90Very high14 Ų1459.2 Ų59.210%0.09530%0.299CS..Hα-helixtrans-60.7-32.4178.2-59.80000112.5Y34 F59 D61 P62 R66 T67 V68Y34-C64 PolarHBondContact O-SG 2.93Å; F59-C64 HydrophobicContact CB-CB 3.98Å; F59-C64 HydrophobicContact CD1-CB 3.6Å; F59-C64 HydrophobicContact CD2-CB 4.02Å; F59-C64 HydrophobicContact CE1-CB 4.02Å; F59-C64 HydrophobicContact CE2-CB 4.39Å; F59-C64 HydrophobicContact CG-CB 3.59Å; F59-C64 HydrophobicContact CZ-CB 4.38Å; D61-C64 WeakPolarHBondContact O-CB 3.4Å; D61-C64 PolarHBondContact O-N 2.87Å; P62-C64 VanDerWaalsContact C-N 3.25Å; P62-C64 PolarHBondContact O-N 3.07Å; C64-R66 VanDerWaalsContact C-N 3.29Å; C64-R66 PolarHBondContact O-N 2.84Å; C64-T67 PolarHBondContact O-N 3.19Å; C64-V68 WeakPolarHBondContact O-CG2 3.37Å; C64-V68 PolarHBondContact O-N 3.14Å
65V88.6Confident89.8Confident14 Ų1460.3 Ų60.39%0.08531%0.307CS..Hα-helixtrans-60.5-40.4173.5174.40000110.8G11 L13 F59 P62 N63 L69G11-V65 VanDerWaalsContact C-CG2 3.47Å; G11-V65 WeakPolarHBondContact O-CG2 3.31Å; L13-V65 HydrophobicContact CB-CG2 4.47Å; L13-V65 HydrophobicContact CD1-CG1 3.93Å; F59-V65 HydrophobicContact CD2-CG2 3.88Å; P62-V65 WeakPolarHBondContact O-CB 3.22Å; P62-V65 PolarHBondContact O-N 2.62Å; N63-V65 PolarHBondContact O-N 2.85Å; V65-L69 HydrophobicContact CG1-CD1 3.85Å; V65-L69 WeakPolarHBondContact O-CD1 3.36Å; V65-L69 WeakPolarHBondContact O-CG 3.28Å; V65-L69 PolarHBondContact O-N 3.23Å; V65-L69 VanDerWaalsContact O-N 3.1Å
66R87.9Confident89.6Confident171 Ų17160.9 Ų60.965%0.64531%0.31SS*.Hα-helixtrans-65.8-50175.7-178.2180172.1165.4-2.1110.9N63 C64 V68 L69 E70N63-R66 WeakPolarHBondContact O-CB 3.07Å; N63-R66 PolarHBondContact O-N 3.06Å; C64-R66 VanDerWaalsContact C-N 3.29Å; C64-R66 PolarHBondContact O-N 2.84Å; R66-V68 VanDerWaalsContact C-N 3.29Å; R66-V68 PolarHBondContact O-N 2.9Å; R66-L69 PolarHBondContact O-N 2.91Å; R66-E70 IonicContact CZ-OE2 2.62Å; R66-E70 IonicContact NE-OE2 3.72Å; R66-E70 PolarHBondContact NE-OE2 3.36Å; R66-E70 IonicContact NH2-OE1 2.71Å; R66-E70 IonicContact NH2-OE2 2.74Å; R66-E70 PolarHBondContact NH2-OE2 3.44Å; R66-E70 PolarHBondContact O-N 2.88Å
67T89.9Confident89.3Confident71 Ų7162.3 Ų62.344%0.43632%0.32SS..Hα-helixtrans-55.1-45.4-179.5-49.40000111.7Y34 N63 C64 E70 T71Y34-T67 HydrophobicContact CD1-CG2 4.49Å; N63-T67 PolarHBondContact O-N 2.93Å; N63-T67 PolarHBondContact O-OG1 3.47Å; C64-T67 PolarHBondContact O-N 3.19Å; T67-E70 PolarHBondContact O-N 2.85Å; T67-T71 WeakPolarHBondContact O-CB 3.21Å; T67-T71 PolarHBondContact O-N 3.03Å; T67-T71 PolarHBondContact O-OG1 3.23Å
68V91Very high88.8Confident0 Ų065.6 Ų65.60%035%0.353CS..Hα-helixtrans-57.5-51.4172.7168.90000111.2L13 F31 Y34 F59 C64 R66 E70 T71 H74 P83L13-V68 HydrophobicContact CD1-CG1 4.39Å; L13-V68 HydrophobicContact CD2-CG1 3.81Å; F31-V68 HydrophobicContact CD1-CG1 4.42Å; F31-V68 HydrophobicContact CD1-CG2 4.05Å; F31-V68 HydrophobicContact CE1-CG1 3.76Å; F31-V68 HydrophobicContact CE1-CG2 4.2Å; Y34-V68 HydrophobicContact CD1-CG2 4.15Å; Y34-V68 HydrophobicContact CD2-CG2 3.59Å; Y34-V68 HydrophobicContact CE2-CG2 4.23Å; Y34-V68 HydrophobicContact CG-CG2 3.54Å; F59-V68 HydrophobicContact CE2-CG2 4.21Å; F59-V68 HydrophobicContact CZ-CG2 4Å; C64-V68 WeakPolarHBondContact O-CG2 3.37Å; C64-V68 PolarHBondContact O-N 3.14Å; R66-V68 VanDerWaalsContact C-N 3.29Å; R66-V68 PolarHBondContact O-N 2.9Å; V68-E70 PolarHBondContact O-N 2.84Å; V68-T71 PolarHBondContact O-N 3.44Å; V68-H74 PolarHBondContact O-CE1 3.49Å; V68-H74 PolarHBondContact O-NE2 3.35Å; V68-P83 HydrophobicContact CG1-CB 3.71Å; V68-P83 HydrophobicContact CG1-CG 3.65Å
69L89.3Confident88.6Confident51 Ų5168.9 Ų68.927%0.26736%0.364SS..Hα-helixtrans-64.2-25.9-177-67.5168.5000114L13 V65 R66 P83 P85L13-L69 HydrophobicContact CD1-CD2 4.17Å; L13-L69 HydrophobicContact CD1-CG 4.29Å; V65-L69 HydrophobicContact CG1-CD1 3.85Å; V65-L69 WeakPolarHBondContact O-CD1 3.36Å; V65-L69 WeakPolarHBondContact O-CG 3.28Å; V65-L69 PolarHBondContact O-N 3.23Å; V65-L69 VanDerWaalsContact O-N 3.1Å; R66-L69 PolarHBondContact O-N 2.91Å; L69-P83 WeakPolarHBondContact CD2-O 3.28Å; L69-P85 HydrophobicContact CD1-CG 3.69Å
70E89Confident88.5Confident134 Ų13473.8 Ų73.863%0.62639%0.391SS*.Hα-helixtrans-80.9-30.7173.9-125.8162.7112.200112.1R66 T67 V68 K72R66-E70 IonicContact CZ-OE2 2.62Å; R66-E70 IonicContact NE-OE2 3.72Å; R66-E70 PolarHBondContact NE-OE2 3.36Å; R66-E70 IonicContact NH2-OE1 2.71Å; R66-E70 IonicContact NH2-OE2 2.74Å; R66-E70 PolarHBondContact NH2-OE2 3.44Å; R66-E70 PolarHBondContact O-N 2.88Å; T67-E70 PolarHBondContact O-N 2.85Å; V68-E70 PolarHBondContact O-N 2.84Å; E70-K72 VanDerWaalsContact C-N 3.29Å; E70-K72 PolarHBondContact O-N 3.12Å; E70-K72 VanDerWaalsContact O-N 3.11Å
71T85.7Confident88.7Confident67 Ų6768.6 Ų68.641%0.41137%0.369SS..SBendtrans-88.444.5-175.5-42.90000113.3Y34 T67 V68 H74Y34-T71 HydrophobicContact CE1-CG2 4.13Å; T67-T71 WeakPolarHBondContact O-CB 3.21Å; T67-T71 PolarHBondContact O-N 3.03Å; T67-T71 PolarHBondContact O-OG1 3.23Å; V68-T71 PolarHBondContact O-N 3.44Å; T71-H74 PolarHBondContact O-CE1 3.36Å; T71-H74 PolarHBondContact O-NE2 3.39Å
72K84.7Confident88.7Confident92 Ų9267.4 Ų67.440%0.436%0.362SS..PPolyproline II helixtrans-83.7146.9174.4-67.4-167.5178-165.70111.4E70 D82 P83E70-K72 VanDerWaalsContact C-N 3.29Å; E70-K72 PolarHBondContact O-N 3.12Å; E70-K72 VanDerWaalsContact O-N 3.11Å; K72-D82 IonicContact NZ-OD2 2.82Å; K72-D82 PolarHBondContact NZ-OD2 3.09Å; K72-P83 VanDerWaalsContact CE-O 3.3Å; K72-P83 WeakPolarHBondContact CE-O 3.27Å; K72-P83 PolarHBondContact NZ-O 3.29Å
73P85.9Confident88.9Confident112 Ų11264.5 Ų64.573%0.72734%0.343SS*.PPolyproline II helixcis-88.1150.64.635.1-35.2000113.8
74H90.7Very high89Confident2 Ų263.8 Ų63.81%0.00934%0.335CS..EExtended strand (participates in β ladder)trans-99.7150.6170.6-59.2-84000111.1Y30 Y34 V68 T71 N80 I81 P83Y30-H74 HydrophobicContact CE1-CB 4.29Å; Y30-H74 AromaticContact CE1-ND1 3.88Å; Y30-H74 AromaticContact CZ-ND1 3.93Å; Y30-H74 WeakPolarHBondContact OH-CB 3.38Å; Y30-H74 PolarHBondContact OH-ND1 3.16Å; Y30-H74 VanDerWaalsContact OH-ND1 3.08Å; Y34-H74 AromaticContact CZ-CE1 3.73Å; Y34-H74 AromaticContact CZ-ND1 3.86Å; Y34-H74 PolarHBondContact OH-CE1 2.96Å; Y34-H74 PolarHBondContact OH-ND1 3.1Å; Y34-H74 VanDerWaalsContact OH-ND1 3.14Å; V68-H74 PolarHBondContact O-CE1 3.49Å; V68-H74 PolarHBondContact O-NE2 3.35Å; T71-H74 PolarHBondContact O-CE1 3.36Å; T71-H74 PolarHBondContact O-NE2 3.39Å; H74-N80 WeakPolarHBondContact O-CA 3.26Å; H74-N80 PolarHBondContact O-ND2 2.72Å; H74-I81 HydrophobicContact CB-CD1 4.04Å; H74-I81 HydrophobicContact CB-CG1 3.44Å; H74-I81 VanDerWaalsContact CB-CG1 3.44Å; H74-I81 PolarHBondContact O-N 3.31Å; H74-P83 WeakPolarHBondContact CD2-CG 3.5Å; H74-P83 WeakPolarHBondContact NE2-CG 3.44Å
75N90.2Very high88.9Confident68 Ų6866.3 Ų66.336%0.36435%0.351SS..EExtended strand (participates in β ladder)trans-139.8137.6171.1-169.6-74.7000109.2Y30 G78 R79 N80Y30-N75 VanDerWaalsContact CE2-O 3.23Å; Y30-N75 WeakPolarHBondContact CE2-O 3.49Å; N75-G78 PolarHBondContact ND2-O 3.02Å; N75-G78 VanDerWaalsContact OD1-CA 3.28Å; N75-G78 WeakPolarHBondContact OD1-CA 3.48Å; N75-G78 PolarHBondContact OD1-N 2.69Å; N75-R79 CarbonylContact C-O 3.55Å; N75-R79 VanDerWaalsContact CA-O 3.31Å; N75-R79 WeakPolarHBondContact CA-O 3.45Å; N75-R79 VanDerWaalsContact ND2-C 3.31Å; N75-R79 PolarHBondContact ND2-O 3.12Å; N75-R79 PolarHBondContact OD1-N 3.34Å; N75-N80 PolarHBondContact ND2-N 3.29Å
76L89.9Confident88.6Confident12 Ų1265.8 Ų65.86%0.06335%0.348CS..EExtended strand (participates in β ladder)trans-144.4135-178.9179.267.4000108.1L18 T22 L27 Y30 G78 R79 I81L18-L76 HydrophobicContact CD2-CD2 4.14Å; T22-L76 HydrophobicContact CG2-CD2 3.66Å; T22-L76 HydrophobicContact CG2-CG 4.45Å; L27-L76 HydrophobicContact CD1-CD2 3.93Å; Y30-L76 HydrophobicContact CD2-CD1 4.01Å; Y30-L76 HydrophobicContact CG-CD1 3.87Å; L76-G78 PolarHBondContact O-N 3.18Å; L76-G78 VanDerWaalsContact O-N 3.12Å; L76-R79 PolarHBondContact N-O 2.84Å; L76-R79 WeakPolarHBondContact O-CA 3.45Å; L76-R79 WeakPolarHBondContact O-CB 3.4Å; L76-R79 PolarHBondContact O-N 3.49Å; L76-R79 VanDerWaalsContact O-O 3.1Å; L76-I81 HydrophobicContact CB-CD1 3.97Å; L76-I81 HydrophobicContact CB-CG2 3.9Å; L76-I81 HydrophobicContact CD2-CD1 4.29Å
77D86.6Confident88.1Confident72 Ų7261 Ų6139%0.38534%0.337SS..THydrogen-bonded Turntrans52.333.7-179-51.5-34000113D19 T22 T26 R79D19-D77 HydrophobicContact CB-CB 4.37Å; T22-D77 VanDerWaalsContact CA-OD2 3.23Å; T22-D77 WeakPolarHBondContact CA-OD2 3.42Å; T22-D77 WeakPolarHBondContact CB-OD2 3.5Å; T22-D77 WeakPolarHBondContact CG2-OD2 3.4Å; T22-D77 PolarHBondContact OG1-OD2 2.87Å; T26-D77 PolarHBondContact OG1-OD2 2.92Å; D77-R79 VanDerWaalsContact C-N 3.25Å; D77-R79 PolarHBondContact O-N 2.87Å
78G84.3Confident87.1Confident68 Ų6859.3 Ų59.370%0.70133%0.328SS*.THydrogen-bonded Turntrans79.8-4.7-175.900000115N75 L76N75-G78 PolarHBondContact ND2-O 3.02Å; N75-G78 VanDerWaalsContact OD1-CA 3.28Å; N75-G78 WeakPolarHBondContact OD1-CA 3.48Å; N75-G78 PolarHBondContact OD1-N 2.69Å; L76-G78 PolarHBondContact O-N 3.18Å; L76-G78 VanDerWaalsContact O-N 3.12Å
79R88.9Confident85.7Confident112 Ų11269.7 Ų69.742%0.42337%0.367SS..EExtended strand (participates in β ladder)trans-108.6135.9-171.4-157.5169.2-167.1120.611.7111.7G17 D19 N75 L76 D77 I81G17-R79 VanDerWaalsContact O-CD 3.3Å; G17-R79 WeakPolarHBondContact O-CD 3.39Å; G17-R79 WeakPolarHBondContact O-CG 3.35Å; D19-R79 IonicContact OD2-CZ 2.77Å; D19-R79 IonicContact OD2-NH1 2.63Å; D19-R79 PolarHBondContact OD2-NH1 3.2Å; N75-R79 CarbonylContact C-O 3.55Å; N75-R79 VanDerWaalsContact CA-O 3.31Å; N75-R79 WeakPolarHBondContact CA-O 3.45Å; N75-R79 VanDerWaalsContact ND2-C 3.31Å; N75-R79 PolarHBondContact ND2-O 3.12Å; N75-R79 PolarHBondContact OD1-N 3.34Å; L76-R79 PolarHBondContact N-O 2.84Å; L76-R79 WeakPolarHBondContact O-CA 3.45Å; L76-R79 WeakPolarHBondContact O-CB 3.4Å; L76-R79 PolarHBondContact O-N 3.49Å; L76-R79 VanDerWaalsContact O-O 3.1Å; D77-R79 VanDerWaalsContact C-N 3.25Å; D77-R79 PolarHBondContact O-N 2.87Å; R79-I81 PolarHBondContact O-N 3.01Å
80N91.1Very high84Confident109 Ų10971.2 Ų71.258%0.58340%0.395SS*.EExtended strand (participates in β ladder)trans-72.8122.8174.7-75.2103.6000111.2H74 N75H74-N80 WeakPolarHBondContact O-CA 3.26Å; H74-N80 PolarHBondContact O-ND2 2.72Å; N75-N80 PolarHBondContact ND2-N 3.29Å
81I94.1Very high82.2Confident9 Ų972 Ų725%0.04640%0.4CS..EExtended strand (participates in β ladder)trans-104143.4179.868.8176.6000109.8V15 G16 L18 Y30 F31 H74 L76 R79 P83V15-I81 HydrophobicContact CG1-CB 4.14Å; V15-I81 HydrophobicContact CG1-CD1 3.94Å; V15-I81 HydrophobicContact CG1-CG1 4.34Å; G16-I81 CarbonylContact O-C 3.55Å; G16-I81 WeakPolarHBondContact O-CA 3.43Å; L18-I81 HydrophobicContact CD2-CB 4.34Å; L18-I81 HydrophobicContact CD2-CG2 3.81Å; Y30-I81 HydrophobicContact CD1-CD1 4.2Å; Y30-I81 HydrophobicContact CE1-CD1 3.92Å; F31-I81 HydrophobicContact CE2-CD1 3.89Å; F31-I81 HydrophobicContact CZ-CD1 3.68Å; H74-I81 HydrophobicContact CB-CD1 4.04Å; H74-I81 HydrophobicContact CB-CG1 3.44Å; H74-I81 VanDerWaalsContact CB-CG1 3.44Å; H74-I81 PolarHBondContact O-N 3.31Å; L76-I81 HydrophobicContact CB-CD1 3.97Å; L76-I81 HydrophobicContact CB-CG2 3.9Å; L76-I81 HydrophobicContact CD2-CD1 4.29Å; R79-I81 PolarHBondContact O-N 3.01Å; I81-P83 VanDerWaalsContact O-CD 3.27Å; I81-P83 WeakPolarHBondContact O-CD 3.5Å
82D90.8Very high80.7Confident57 Ų5774.2 Ų74.231%0.30541%0.406SS..EExtended strand (participates in β ladder)trans-114.193.2-179.9178.8-140.5000110.3G16 K72 K84G16-D82 PolarHBondContact N-O 3.07Å; G16-D82 PolarHBondContact O-N 3.07Å; K72-D82 IonicContact NZ-OD2 2.82Å; K72-D82 PolarHBondContact NZ-OD2 3.09Å; D82-K84 WeakPolarHBondContact OD1-CD 3.45Å; D82-K84 WeakPolarHBondContact OD1-CE 3.43Å; D82-K84 IonicContact OD1-NZ 4Å; D82-K84 PolarHBondContact OD1-NZ 3.01Å
83P91.3Very high78.9Confident0 Ų074.9 Ų74.90%042%0.42CS..EExtended strand (participates in β ladder)trans-74.2138.8171.328.1-30.7000111.1L13 F14 F31 V68 L69 K72 H74 I81L13-P83 HydrophobicContact CD1-CB 3.98Å; L13-P83 HydrophobicContact CD2-CB 3.74Å; L13-P83 HydrophobicContact CG-CB 4.04Å; F14-P83 CarbonylContact O-C 3.51Å; F14-P83 VanDerWaalsContact O-CA 3.3Å; F14-P83 WeakPolarHBondContact O-CA 3.41Å; F31-P83 HydrophobicContact CZ-CB 4.49Å; V68-P83 HydrophobicContact CG1-CB 3.71Å; V68-P83 HydrophobicContact CG1-CG 3.65Å; L69-P83 WeakPolarHBondContact CD2-O 3.28Å; K72-P83 VanDerWaalsContact CE-O 3.3Å; K72-P83 WeakPolarHBondContact CE-O 3.27Å; K72-P83 PolarHBondContact NZ-O 3.29Å; H74-P83 WeakPolarHBondContact CD2-CG 3.5Å; H74-P83 WeakPolarHBondContact NE2-CG 3.44Å; I81-P83 VanDerWaalsContact O-CD 3.27Å; I81-P83 WeakPolarHBondContact O-CD 3.5Å
84K90.3Very high76.8Confident105 Ų10577.5 Ų77.546%0.45742%0.422SS..EExtended strand (participates in β ladder)trans-139.6154180-81.5170.5167.61460110.2L13 F14 D82 C86L13-K84 WeakPolarHBondContact CD1-O 3.3Å; F14-K84 HydrophobicContact CD1-CB 4.27Å; F14-K84 PolarHBondContact N-O 3.29Å; F14-K84 PolarHBondContact O-N 3.21Å; D82-K84 WeakPolarHBondContact OD1-CD 3.45Å; D82-K84 WeakPolarHBondContact OD1-CE 3.43Å; D82-K84 IonicContact OD1-NZ 4Å; D82-K84 PolarHBondContact OD1-NZ 3.01Å; K84-C86 PolarHBondContact O-N 2.91Å
85P86.5Confident74.7Confident67 Ų6786 Ų8644%0.43546%0.459SS..EExtended strand (participates in β ladder)trans-51.7137169.3-21.531000110.4L69 T87L69-P85 HydrophobicContact CD1-CG 3.69Å; P85-T87 PolarHBondContact O-N 3.2Å; P85-T87 VanDerWaalsContact O-N 3.14Å
86C83.2Confident72.3Confident3 Ų386.1 Ų86.12%0.0247%0.466CS..  trans-66.2115.7175.2-170.50000109.7L5 K12 K84L5-C86 WeakPolarHBondContact CD2-O 3.29Å; K12-C86 HydrophobicContact CB-CB 3.86Å; K12-C86 HydrophobicContact CD-CB 4.28Å; K12-C86 HydrophobicContact CG-CB 3.88Å; K12-C86 WeakPolarHBondContact O-CB 3.34Å; K12-C86 PolarHBondContact O-N 3.31Å; K84-C86 PolarHBondContact O-N 2.91Å
87T77.3Confident70.2Confident70 Ų7097 Ų9743%0.42951%0.506SS..  trans-76.1133.9170.6-41.10000109.2P85 Q92P85-T87 PolarHBondContact O-N 3.2Å; P85-T87 VanDerWaalsContact O-N 3.14Å; T87-Q92 HydrophobicContact CG2-CG 4.11Å
88P69.2Low68Low35 Ų3598.2 Ų98.223%0.22752%0.516CS..  trans-55.3143.6178.7-28.134.7000113.4E9 G90 M91 Q92E9-P88 WeakPolarHBondContact OE2-CA 3.48Å; E9-P88 WeakPolarHBondContact OE2-CB 3.32Å; E9-P88 WeakPolarHBondContact OE2-CG 3.2Å; P88-G90 PolarHBondContact O-N 3.39Å; P88-G90 VanDerWaalsContact O-N 3.14Å; P88-M91 HydrophobicContact CB-CB 4.1Å; P88-M91 HydrophobicContact CG-CB 4.46Å; P88-M91 CarbonylContact O-C 3.56Å; P88-M91 PolarHBondContact O-N 2.61Å; P88-Q92 PolarHBondContact O-N 3.43Å; P88-Q92 VanDerWaalsContact O-N 3.07Å
89R61.1Low66.3Low219 Ų219103.4 Ų103.483%0.82652%0.519SS*.THydrogen-bonded Turntrans-60.3-26.8-176.5-125.9-178.8-169.8166.55.5114.1
90G54.4Low63.7Low83 Ų83106.1 Ų106.186%0.85654%0.537SS*.THydrogen-bonded Turntrans-92.43173.700000115P88P88-G90 PolarHBondContact O-N 3.39Å; P88-G90 VanDerWaalsContact O-N 3.14Å
91M50.9Low61.2Low149 Ų149104.6 Ų104.673%0.73455%0.546SS*.THydrogen-bonded Turntrans-132.26.3-176.3-139.2171-162.300114.1P88P88-M91 HydrophobicContact CB-CB 4.1Å; P88-M91 HydrophobicContact CG-CB 4.46Å; P88-M91 CarbonylContact O-C 3.56Å; P88-M91 PolarHBondContact O-N 2.61Å
92Q53Low58.7Low115 Ų115114 Ų11454%0.53758%0.581SS.*SBendtrans-62.6131.4154-79.3-164-16.400108.6T87 P88 E94T87-Q92 HydrophobicContact CG2-CG 4.11Å; P88-Q92 PolarHBondContact O-N 3.43Å; P88-Q92 VanDerWaalsContact O-N 3.07Å; Q92-E94 PolarHBondContact O-N 3.11Å
93P47.8Very low56.2Low106 Ų106120 Ų12069%0.68860%0.604SS**  trans-61.4124.1171.926-33.1000108.7K95P93-K95 VanDerWaalsContact C-N 3.27Å; P93-K95 PolarHBondContact O-N 3.34Å
94E42.5Very low54Low166 Ų166123 Ų12378%0.77664%0.636SS**  trans-7177.7-166.3-161-165.8141.300112.6Q92 S96Q92-E94 PolarHBondContact O-N 3.11Å; E94-S96 PolarHBondContact O-N 2.97Å; E94-S96 WeakPolarHBondContact OE1-CB 3.14Å; E94-S96 PolarHBondContact OE1-OG 3.31Å
95K44.7Very low51.6Low180 Ų180121.8 Ų121.878%0.78364%0.64SS**  trans-76.569.9164.7-67.9-169.1177-174.50108.6P93 R97P93-K95 VanDerWaalsContact C-N 3.27Å; P93-K95 PolarHBondContact O-N 3.34Å; K95-R97 PolarHBondContact O-N 3.5Å
96S40.4Very low49.7Very low72 Ų72128.2 Ų128.250%0.50366%0.662SS.*  trans-58.392.2-178.1-139.90000110.2E94 T98E94-S96 PolarHBondContact O-N 2.97Å; E94-S96 WeakPolarHBondContact OE1-CB 3.14Å; E94-S96 PolarHBondContact OE1-OG 3.31Å; S96-T98 PolarHBondContact O-N 3.43Å
97R46.2Very low47.9Very low241 Ų241131.8 Ų131.891%0.90969%0.692SS**  trans-80.760.3171.3-73.5-173.6176.1174.7-0.4109.3K95 K99K95-R97 PolarHBondContact O-N 3.5Å; R97-K99 PolarHBondContact O-N 2.95Å
98T39.3Very low46.6Very low96 Ų96134 Ų13459%0.58970%0.701SS**  trans-59.3123.3172.4-55.20000108.5S96 E100S96-T98 PolarHBondContact O-N 3.43Å; T98-E100 HydrophobicContact CG2-CB 4.33Å; T98-E100 HydrophobicContact CG2-CG 4.43Å; T98-E100 PolarHBondContact O-N 2.96Å
99K48.5Very low45.8Very low177 Ų177134.2 Ų134.277%0.7770%0.703SS**  trans-83.440.6-168.5-165.6-172.8170178.30111.7R97R97-K99 PolarHBondContact O-N 2.95Å
100E36.3Very low45.5Very low170 Ų170129 Ų12979%0.79469%0.691SS**SBendtrans-135.7126.3-171.6-62.7-173.3-16900110.8T98T98-E100 HydrophobicContact CG2-CB 4.33Å; T98-E100 HydrophobicContact CG2-CG 4.43Å; T98-E100 PolarHBondContact O-N 2.96Å
101G37Very low45.9Very low76 Ų76132 Ų13278%0.78468%0.681SS**  trans74.763.2172.400000116.7K103G101-K103 PolarHBondContact O-N 2.85Å
102W42.9Very low47.2Very low206 Ų206126.1 Ų126.178%0.7866%0.655SS**  trans-68.978.9164.6-172.4-87000111.1D192W102-D192 WeakPolarHBondContact CZ2-OD1 3.2Å; W102-D192 WeakPolarHBondContact CZ2-OD2 3.23Å
103K37.2Very low49Very low183 Ų183125.5 Ų125.580%0.79665%0.65SS**  trans-109.8101.5164.3-175.4-177.8-179.7-176.40106.8G101 S105G101-K103 PolarHBondContact O-N 2.85Å; K103-S105 PolarHBondContact O-N 3.15Å
104G44.8Very low51Low64 Ų64123.3 Ų123.366%0.6663%0.63SS**  trans-55.5102-17100000113.6K106G104-K106 PolarHBondContact O-N 2.92Å
105S41.3Very low53.4Low79 Ų79115.4 Ų115.455%0.55259%0.593SS**  trans-73.1113.5174.9-80.10000110.1K103 A107 D108K103-S105 PolarHBondContact O-N 3.15Å; S105-A107 PolarHBondContact O-N 3.46Å; S105-D108 WeakPolarHBondContact CB-OD2 3.44Å; S105-D108 PolarHBondContact O-N 3.1Å
106K46Very low55.7Low203 Ų203109.3 Ų109.388%0.88357%0.567SS**THydrogen-bonded Turntrans-61.5-12.4174.3-70.5-172.8173.6-173.40113.6G104G104-K106 PolarHBondContact O-N 2.92Å
107A45.6Very low58.1Low78 Ų78106 Ų10665%0.64554%0.543SS*.THydrogen-bonded Turntrans-69.8-43.6178.300000113.1S105 S109 N110S105-A107 PolarHBondContact O-N 3.46Å; A107-S109 PolarHBondContact O-N 2.89Å; A107-N110 WeakPolarHBondContact O-CB 3.4Å; A107-N110 PolarHBondContact O-N 3.04Å
108D48.9Very low60.3Low116 Ų11694.7 Ų94.762%0.6250%0.501SS*.G310 helixtrans-68.2-21.2-172.8-60.3-83.3000113.7S105 N110 K111S105-D108 WeakPolarHBondContact CB-OD2 3.44Å; S105-D108 PolarHBondContact O-N 3.1Å; D108-N110 PolarHBondContact O-N 2.88Å; D108-N110 VanDerWaalsContact O-N 3.16Å; D108-K111 PolarHBondContact O-N 2.83Å
109S53.3Low62.6Low40 Ų4092.2 Ų92.228%0.2850%0.496SS..G310 helixtrans-52-35.7172.5-174.10000112.3A107 K111 S112A107-S109 PolarHBondContact O-N 2.89Å; S109-K111 PolarHBondContact O-N 2.79Å; S109-S112 PolarHBondContact O-N 2.89Å; S109-S112 PolarHBondContact O-OG 3.31Å
110N54.3Low64.5Low109 Ų10984.2 Ų84.258%0.58346%0.461SS*.G310 helixtrans-65-24.7-177.5-156.522.4000112.7A107 D108 K187A107-N110 WeakPolarHBondContact O-CB 3.4Å; A107-N110 PolarHBondContact O-N 3.04Å; D108-N110 PolarHBondContact O-N 2.88Å; D108-N110 VanDerWaalsContact O-N 3.16Å; N110-K187 PolarHBondContact O-NZ 3.46Å; N110-K187 PolarHBondContact OD1-NZ 2.66Å
111K64Low66.8Low146 Ų14676.3 Ų76.364%0.63542%0.424SS*.G310 helixtrans-101.917.3-175.5-128.2173.6-175.3163.20114.9D108 S109 E164D108-K111 PolarHBondContact O-N 2.83Å; S109-K111 PolarHBondContact O-N 2.79Å; K111-E164 VanDerWaalsContact CE-OE1 3.28Å; K111-E164 WeakPolarHBondContact CE-OE1 3.43Å; K111-E164 WeakPolarHBondContact CE-OE2 3.45Å; K111-E164 VanDerWaalsContact CG-CD 3.41Å; K111-E164 WeakPolarHBondContact CG-OE1 3.46Å; K111-E164 WeakPolarHBondContact CG-OE2 3.45Å
112S77.9Confident68.9Low26 Ų2679 Ų7918%0.18242%0.416CS..  trans-77.3127.7178.556.40000111.5S109 K114S109-S112 PolarHBondContact O-N 2.89Å; S109-S112 PolarHBondContact O-OG 3.31Å; S112-K114 PolarHBondContact O-N 3.38Å; S112-K114 VanDerWaalsContact O-N 3.12Å
113K89.6Confident70.8Confident102 Ų10273.6 Ų73.644%0.44340%0.403SS..SBendtrans-78.823.4173.5-66.1-167176.7-169.90113.5T160 F161 E162 V167K113-T160 WeakPolarHBondContact O-CA 3.3Å; K113-T160 WeakPolarHBondContact O-CG2 3.28Å; K113-F161 PolarHBondContact O-N 3.44Å; K113-E162 WeakPolarHBondContact CD-O 3.4Å; K113-E162 WeakPolarHBondContact CE-O 3.46Å; K113-E162 PolarHBondContact NZ-O 3.25Å; K113-V167 VanDerWaalsContact C-CG2 3.43Å
114K91Very high73Confident60 Ų6065.1 Ų65.126%0.26137%0.366SS..EExtended strand (participates in β ladder)trans-135.4131.1-168.4-165.7161.6-170.7143.20110.7S112 E141 F158 I159 T160 A188S112-K114 PolarHBondContact O-N 3.38Å; S112-K114 VanDerWaalsContact O-N 3.12Å; K114-E141 IonicContact NZ-OE2 2.67Å; K114-E141 PolarHBondContact NZ-OE2 3.12Å; K114-F158 HydrophobicContact CD-CB 4.37Å; K114-F158 HydrophobicContact CG-CB 4.27Å; K114-I159 CarbonylContact C-O 3.57Å; K114-I159 VanDerWaalsContact CA-O 3.31Å; K114-I159 WeakPolarHBondContact CA-O 3.46Å; K114-T160 WeakPolarHBondContact CD-OG1 3.19Å; K114-T160 WeakPolarHBondContact CE-OG1 3.36Å; K114-T160 PolarHBondContact NZ-OG1 2.94Å; K114-A188 HydrophobicContact CB-CB 3.96Å; K114-A188 HydrophobicContact CG-CB 3.86Å; K114-A188 WeakPolarHBondContact O-CB 3.2Å; K114-A188 PolarHBondContact O-N 2.84Å
115I92.3Very high74.8Confident0 Ų063.1 Ų63.10%035%0.346CS..EExtended strand (participates in β ladder)trans-102.4147.8170.355.6171.5000111.1V117 F133 F158 I159 F161 V167 A170 V171 V185 K186I115-V117 HydrophobicContact CD1-CG2 3.62Å; I115-V117 HydrophobicContact CG1-CG2 3.82Å; I115-F133 HydrophobicContact CD1-CD1 3.96Å; I115-F133 HydrophobicContact CD1-CE1 3.87Å; I115-F133 HydrophobicContact CD1-CZ 4.36Å; I115-F158 WeakPolarHBondContact O-CA 3.32Å; I115-F158 WeakPolarHBondContact O-CB 3.27Å; I115-I159 HydrophobicContact CD1-CB 4.11Å; I115-I159 HydrophobicContact CD1-CD1 4.49Å; I115-I159 HydrophobicContact CG1-CB 3.75Å; I115-I159 PolarHBondContact N-O 3.35Å; I115-I159 PolarHBondContact O-N 2.67Å; I115-F161 HydrophobicContact CD1-CE2 3.71Å; I115-F161 HydrophobicContact CD1-CZ 4.13Å; I115-F161 HydrophobicContact CG1-CE2 3.88Å; I115-F161 HydrophobicContact CG2-CE2 4.28Å; I115-V167 HydrophobicContact CG2-CB 4.26Å; I115-V167 HydrophobicContact CG2-CG1 3.77Å; I115-V167 HydrophobicContact CG2-CG2 4.27Å; I115-A170 HydrophobicContact CD1-CB 4.24Å; I115-V171 HydrophobicContact CG2-CG2 3.66Å; I115-V185 HydrophobicContact CB-CG1 4.07Å; I115-V185 HydrophobicContact CD1-CG1 3.8Å; I115-V185 HydrophobicContact CG2-CG1 4.03Å; I115-K186 CarbonylContact C-O 3.44Å; I115-K186 VanDerWaalsContact CA-O 3.3Å; I115-K186 WeakPolarHBondContact CA-O 3.32Å; I115-K186 WeakPolarHBondContact CB-O 3.15Å
116F92.4Very high77Confident52 Ų5264 Ų6423%0.22834%0.341CS..EExtended strand (participates in β ladder)trans-85.4137.7157.8167.3-92.3000108.3F156 F158 V185 K186F116-F156 HydrophobicContact CD2-CD2 4.41Å; F116-F156 HydrophobicContact CE2-CB 3.78Å; F116-F156 AromaticContact CE2-CD2 3.68Å; F116-F156 HydrophobicContact CE2-CD2 3.68Å; F116-F156 HydrophobicContact CE2-CE2 4.48Å; F116-F156 AromaticContact CE2-CG 3.9Å; F116-F156 HydrophobicContact CE2-CG 3.9Å; F116-F156 HydrophobicContact CZ-CB 3.9Å; F116-F156 HydrophobicContact CZ-CG 4.36Å; F116-F158 HydrophobicContact CB-CD1 4.2Å; F116-F158 HydrophobicContact CB-CE1 4.16Å; F116-F158 HydrophobicContact CD2-CD1 4.4Å; F116-F158 AromaticContact CD2-CE1 3.88Å; F116-F158 HydrophobicContact CD2-CE1 3.88Å; F116-F158 HydrophobicContact CD2-CZ 4.22Å; F116-V185 WeakPolarHBondContact O-CA 3.15Å; F116-K186 HydrophobicContact CD1-CB 4.38Å; F116-K186 PolarHBondContact N-O 2.81Å; F116-K186 PolarHBondContact O-N 3.18Å
117V91.9Very high79.1Confident1 Ų158.3 Ų58.31%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-128.6115.3-179.5-173.60000107.9I115 I120 L129 F133 F156 G157 I159 V183 E184 V185I115-V117 HydrophobicContact CD1-CG2 3.62Å; I115-V117 HydrophobicContact CG1-CG2 3.82Å; V117-I120 HydrophobicContact CB-CD1 4.21Å; V117-I120 HydrophobicContact CG1-CD1 3.93Å; V117-I120 HydrophobicContact CG1-CG1 3.85Å; V117-L129 HydrophobicContact CG1-CD2 4.34Å; V117-F133 HydrophobicContact CG1-CE2 4.06Å; V117-F133 HydrophobicContact CG1-CZ 4.24Å; V117-F133 HydrophobicContact CG2-CE2 4.4Å; V117-F133 HydrophobicContact CG2-CZ 4.42Å; V117-F156 CarbonylContact O-C 3.49Å; V117-F156 WeakPolarHBondContact O-CA 3.31Å; V117-F156 WeakPolarHBondContact O-CB 3.5Å; V117-G157 PolarHBondContact N-O 3.29Å; V117-G157 PolarHBondContact O-N 3.42Å; V117-I159 HydrophobicContact CG2-CB 4.49Å; V117-I159 HydrophobicContact CG2-CD1 3.89Å; V117-I159 HydrophobicContact CG2-CG1 3.91Å; V117-V183 HydrophobicContact CG1-CG1 3.3Å; V117-E184 CarbonylContact C-O 3.58Å; V117-E184 WeakPolarHBondContact CA-O 3.48Å; V117-V185 HydrophobicContact CG1-CG2 4.41Å; V117-V185 HydrophobicContact CG2-CG2 4.41Å
118G91.2Very high81.2Confident4 Ų458.2 Ų58.24%0.04131%0.311CS..EExtended strand (participates in β ladder)trans-126157.8-174.100000113.1I120 G155 V183 E184G118-I120 VanDerWaalsContact C-N 3.29Å; G118-G155 CarbonylContact C-O 3.58Å; G118-V183 CarbonylContact O-C 3.46Å; G118-V183 VanDerWaalsContact O-CA 3.31Å; G118-V183 WeakPolarHBondContact O-CA 3.41Å; G118-V183 VanDerWaalsContact O-CG1 3.32Å; G118-V183 WeakPolarHBondContact O-CG1 3.21Å; G118-E184 PolarHBondContact N-O 2.96Å; G118-E184 PolarHBondContact O-N 2.78Å
119G88Confident83.1Confident45 Ų4552.8 Ų52.846%0.46428%0.282SS..SBendtrans78.210.9-173.700000114.5G155G119-G155 PolarHBondContact N-O 2.82Å
120I88.8Confident84.9Confident9 Ų957.4 Ų57.45%0.04629%0.293CS..  trans-54.9125.4178.7-54.9170.6000109.2V117 G118 C124 L129 M144 G155 V183V117-I120 HydrophobicContact CB-CD1 4.21Å; V117-I120 HydrophobicContact CG1-CD1 3.93Å; V117-I120 HydrophobicContact CG1-CG1 3.85Å; G118-I120 VanDerWaalsContact C-N 3.29Å; I120-C124 HydrophobicContact CG2-CB 4.14Å; I120-L129 HydrophobicContact CD1-CD1 3.9Å; I120-L129 HydrophobicContact CD1-CD2 4.37Å; I120-L129 HydrophobicContact CG1-CD2 4.32Å; I120-L129 HydrophobicContact CG2-CD1 4.19Å; I120-L129 HydrophobicContact CG2-CD2 4.26Å; I120-M144 HydrophobicContact CG2-CE 4.28Å; I120-G155 PolarHBondContact N-O 2.85Å; I120-G155 WeakPolarHBondContact O-CA 3.41Å; I120-V183 HydrophobicContact CG1-CG1 4.31Å
121P83.9Confident86.6Confident4 Ų458.1 Ų58.13%0.02630%0.297CS..  trans-73.8153.3-179.631.7-34.5000111.3N123 C124 M179 K181P121-N123 WeakPolarHBondContact CB-OD1 3.37Å; P121-N123 PolarHBondContact O-N 2.74Å; P121-N123 VanDerWaalsContact O-N 3.1Å; P121-C124 HydrophobicContact CG-CB 3.65Å; P121-C124 PolarHBondContact O-N 2.85Å; P121-M179 HydrophobicContact CG-CB 4.22Å; P121-K181 HydrophobicContact CB-CB 4.18Å; P121-K181 HydrophobicContact CB-CD 3.82Å; P121-K181 HydrophobicContact CB-CG 3.86Å; P121-K181 HydrophobicContact CG-CB 4.21Å; P121-K181 HydrophobicContact CG-CG 4.35Å
122H82.2Confident87.9Confident131 Ų13153.9 Ų53.961%0.60628%0.278SS*.THydrogen-bonded Turntrans-68.7-10.5-171.561.6-97000114.8
123N82.6Confident88.5Confident94 Ų9452.6 Ų52.650%0.50327%0.269SS..THydrogen-bonded Turntrans-101.91.2175.665-42.2000113.1P121 M179P121-N123 WeakPolarHBondContact CB-OD1 3.37Å; P121-N123 PolarHBondContact O-N 2.74Å; P121-N123 VanDerWaalsContact O-N 3.1Å; N123-M179 PolarHBondContact ND2-SD 3.32Å; N123-M179 VanDerWaalsContact ND2-SD 3.39Å
124C81.9Confident88.5Confident4 Ų451.8 Ų51.83%0.02727%0.269CS..  trans-102.7121.2173.2179.60000108.5I120 P121 M144 M179I120-C124 HydrophobicContact CG2-CB 4.14Å; P121-C124 HydrophobicContact CG-CB 3.65Å; P121-C124 PolarHBondContact O-N 2.85Å; C124-M144 WeakPolarHBondContact O-CE 3.22Å; C124-M179 HydrophobicContact CB-CE 4.38Å; C124-M179 HydrophobicContact CB-SD 3.71Å
125G83.9Confident88.4Confident22 Ų2258.6 Ų58.623%0.22729%0.293CS..  trans-103.6-163.7179.200000112.6P127 E128 L129 M144G125-P127 VanDerWaalsContact C-CD 3.5Å; G125-E128 VanDerWaalsContact CA-OE2 3.3Å; G125-E128 WeakPolarHBondContact CA-OE2 3.37Å; G125-E128 PolarHBondContact N-OE2 2.71Å; G125-L129 WeakPolarHBondContact O-CD1 3.41Å; G125-L129 VanDerWaalsContact O-CG 3.28Å; G125-L129 WeakPolarHBondContact O-CG 3.26Å; G125-L129 PolarHBondContact O-N 3.39Å; G125-M144 VanDerWaalsContact C-SD 3.5Å
126E87.8Confident88.2Confident99 Ų9959.7 Ų59.746%0.46330%0.298SS..Hα-helixtrans-58.1-46.5175.3-158.1-168.2113.700114.1R130 V142 M144E126-R130 VanDerWaalsContact O-CB 3.28Å; E126-R130 WeakPolarHBondContact O-CB 3.3Å; E126-R130 PolarHBondContact O-N 3.49Å; E126-V142 HydrophobicContact CG-CB 3.57Å; E126-V142 HydrophobicContact CG-CG1 3.63Å; E126-V142 HydrophobicContact CG-CG2 4.3Å; E126-M144 PolarHBondContact N-SD 3.45Å; E126-M144 VanDerWaalsContact N-SD 3.45Å
127P88.9Confident88Confident83 Ų8358.3 Ų58.354%0.53930%0.299SS..Hα-helixtrans-71.4-35.2-171.627.1-32.2000112.7G125 R130 D131G125-P127 VanDerWaalsContact C-CD 3.5Å; P127-R130 PolarHBondContact O-N 3.49Å; P127-D131 WeakPolarHBondContact O-CB 3.42Å; P127-D131 PolarHBondContact O-N 2.89Å
128E89.6Confident88Confident76 Ų7661.9 Ų61.936%0.35532%0.32SS..Hα-helixtrans-76.1-32.3-179.9-50.786.9176.800111.9G125 Y132 M179G125-E128 VanDerWaalsContact CA-OE2 3.3Å; G125-E128 WeakPolarHBondContact CA-OE2 3.37Å; G125-E128 PolarHBondContact N-OE2 2.71Å; E128-Y132 VanDerWaalsContact O-CB 3.22Å; E128-Y132 WeakPolarHBondContact O-CB 3.47Å; E128-Y132 PolarHBondContact O-N 2.88Å; E128-Y132 VanDerWaalsContact O-N 3.1Å; E128-M179 HydrophobicContact CB-CE 4.03Å; E128-M179 HydrophobicContact CG-CE 3.65Å
129L89.5Confident88.1Confident2 Ų262 Ų621%0.0132%0.32CS..Hα-helixtrans-62.6-48.4166-69.5169.9000110.5V117 I120 G125 D131 Y132 F133 V142 M144 I159 I178V117-L129 HydrophobicContact CG1-CD2 4.34Å; I120-L129 HydrophobicContact CD1-CD1 3.9Å; I120-L129 HydrophobicContact CD1-CD2 4.37Å; I120-L129 HydrophobicContact CG1-CD2 4.32Å; I120-L129 HydrophobicContact CG2-CD1 4.19Å; I120-L129 HydrophobicContact CG2-CD2 4.26Å; G125-L129 WeakPolarHBondContact O-CD1 3.41Å; G125-L129 VanDerWaalsContact O-CG 3.28Å; G125-L129 WeakPolarHBondContact O-CG 3.26Å; G125-L129 PolarHBondContact O-N 3.39Å; L129-D131 PolarHBondContact O-N 3.32Å; L129-Y132 PolarHBondContact O-N 3.01Å; L129-F133 HydrophobicContact CD2-CE2 4.16Å; L129-F133 WeakPolarHBondContact O-CB 3.45Å; L129-F133 VanDerWaalsContact O-CD2 3.26Å; L129-F133 WeakPolarHBondContact O-CD2 3.34Å; L129-F133 PolarHBondContact O-N 3.47Å; L129-V142 HydrophobicContact CD1-CG1 4.36Å; L129-M144 HydrophobicContact CD1-CE 4.49Å; L129-M144 HydrophobicContact CD1-CG 4.01Å; L129-M144 HydrophobicContact CD1-SD 3.93Å; L129-I159 HydrophobicContact CB-CD1 4.27Å; L129-I178 HydrophobicContact CD2-CD1 4.26Å
130R90.8Very high88.1Confident136 Ų13664 Ų6451%0.51332%0.323SS..Hα-helixtrans-59.9-48.5-178.1-174.9177.2177.6-169.7-3.7111.5E126 P127 N134 V139 V142E126-R130 VanDerWaalsContact O-CB 3.28Å; E126-R130 WeakPolarHBondContact O-CB 3.3Å; E126-R130 PolarHBondContact O-N 3.49Å; P127-R130 PolarHBondContact O-N 3.49Å; R130-N134 VanDerWaalsContact O-CB 3.26Å; R130-N134 WeakPolarHBondContact O-CB 3.46Å; R130-N134 PolarHBondContact O-N 3.04Å; R130-V139 HydrophobicContact CG-CB 4.19Å; R130-V139 HydrophobicContact CG-CG1 4.1Å; R130-V142 HydrophobicContact CB-CG2 4.18Å
131D91.3Very high88.1Confident125 Ų12567.8 Ų67.867%0.66834%0.341SS*.Hα-helixtrans-60.2-52.6177.9-177.4-103000111.6P127 L129 F133 N134P127-D131 WeakPolarHBondContact O-CB 3.42Å; P127-D131 PolarHBondContact O-N 2.89Å; L129-D131 PolarHBondContact O-N 3.32Å; D131-F133 VanDerWaalsContact C-N 3.34Å; D131-F133 PolarHBondContact O-N 2.9Å; D131-N134 WeakPolarHBondContact O-CB 3.28Å; D131-N134 PolarHBondContact O-N 2.66Å
132Y90.6Very high88.4Confident56 Ų5668.4 Ų68.422%0.2234%0.344CS..Hα-helixtrans-58.8-43.9-180-177.9-86.3000112.4E128 L129 R135 F136 H176 I178E128-Y132 VanDerWaalsContact O-CB 3.22Å; E128-Y132 WeakPolarHBondContact O-CB 3.47Å; E128-Y132 PolarHBondContact O-N 2.88Å; E128-Y132 VanDerWaalsContact O-N 3.1Å; L129-Y132 PolarHBondContact O-N 3.01Å; Y132-R135 WeakPolarHBondContact O-CB 3.46Å; Y132-F136 HydrophobicContact CD1-CE2 4.41Å; Y132-F136 AromaticContact CE1-CE2 3.93Å; Y132-F136 HydrophobicContact CE1-CE2 3.93Å; Y132-H176 HydrophobicContact CE1-CB 3.67Å; Y132-H176 AromaticContact CE1-CG 3.75Å; Y132-H176 AromaticContact CE1-ND1 3.42Å; Y132-H176 WeakPolarHBondContact CE1-ND1 3.1Å; Y132-H176 AromaticContact CZ-ND1 3.72Å; Y132-H176 WeakPolarHBondContact OH-CB 3.43Å; Y132-H176 PolarHBondContact OH-ND1 2.85Å; Y132-H176 VanDerWaalsContact OH-ND1 3.11Å; Y132-I178 HydrophobicContact CD1-CD1 3.54Å; Y132-I178 HydrophobicContact CD1-CG1 3.96Å; Y132-I178 HydrophobicContact CD2-CD1 4.45Å; Y132-I178 HydrophobicContact CD2-CG1 4.07Å; Y132-I178 HydrophobicContact CE1-CD1 3.84Å; Y132-I178 HydrophobicContact CE1-CG1 3.97Å; Y132-I178 HydrophobicContact CE2-CG1 4.06Å; Y132-I178 HydrophobicContact CG-CD1 3.9Å; Y132-I178 HydrophobicContact CG-CG1 4.03Å
133F90.1Very high88.7Confident0 Ų064.5 Ų64.50%033%0.33CS..Hα-helixtrans-78.2-21.4-179.6-77.3-73000113.8I115 V117 L129 D131 R135 F136 V139 I159 F161 A170 I178 V185I115-F133 HydrophobicContact CD1-CD1 3.96Å; I115-F133 HydrophobicContact CD1-CE1 3.87Å; I115-F133 HydrophobicContact CD1-CZ 4.36Å; V117-F133 HydrophobicContact CG1-CE2 4.06Å; V117-F133 HydrophobicContact CG1-CZ 4.24Å; V117-F133 HydrophobicContact CG2-CE2 4.4Å; V117-F133 HydrophobicContact CG2-CZ 4.42Å; L129-F133 HydrophobicContact CD2-CE2 4.16Å; L129-F133 WeakPolarHBondContact O-CB 3.45Å; L129-F133 VanDerWaalsContact O-CD2 3.26Å; L129-F133 WeakPolarHBondContact O-CD2 3.34Å; L129-F133 PolarHBondContact O-N 3.47Å; D131-F133 VanDerWaalsContact C-N 3.34Å; D131-F133 PolarHBondContact O-N 2.9Å; F133-R135 PolarHBondContact O-N 2.89Å; F133-R135 VanDerWaalsContact O-N 3.12Å; F133-F136 AromaticContact CD1-CD2 3.98Å; F133-F136 HydrophobicContact CD1-CD2 3.98Å; F133-F136 HydrophobicContact CD1-CE2 4.28Å; F133-F136 PolarHBondContact O-N 3.3Å; F133-V139 HydrophobicContact CB-CG2 4.02Å; F133-I159 HydrophobicContact CB-CD1 4.08Å; F133-I159 HydrophobicContact CD2-CD1 3.22Å; F133-I159 HydrophobicContact CE2-CD1 3.78Å; F133-I159 HydrophobicContact CG-CD1 3.72Å; F133-F161 HydrophobicContact CB-CE1 4.28Å; F133-F161 HydrophobicContact CB-CZ 4.11Å; F133-F161 HydrophobicContact CD1-CZ 4.22Å; F133-A170 HydrophobicContact CD1-CB 4.38Å; F133-A170 HydrophobicContact CE1-CB 4.32Å; F133-I178 HydrophobicContact CE2-CD1 3.84Å; F133-I178 HydrophobicContact CZ-CD1 4.24Å; F133-V185 HydrophobicContact CE1-CG2 3.85Å; F133-V185 HydrophobicContact CZ-CG2 3.59Å
134N90.5Very high88.9Confident85 Ų8561.1 Ų61.146%0.45531%0.311SS..Hα-helixtrans-58.3-25.9174.9-165.345.2000112.6R130 D131 F136 G137R130-N134 VanDerWaalsContact O-CB 3.26Å; R130-N134 WeakPolarHBondContact O-CB 3.46Å; R130-N134 PolarHBondContact O-N 3.04Å; D131-N134 WeakPolarHBondContact O-CB 3.28Å; D131-N134 PolarHBondContact O-N 2.66Å; N134-F136 PolarHBondContact O-N 3.49Å; N134-G137 WeakPolarHBondContact CA-O 3.41Å; N134-G137 CarbonylContact O-C 3.58Å; N134-G137 WeakPolarHBondContact O-CA 3.4Å; N134-G137 PolarHBondContact O-N 2.67Å
135R88.8Confident89Confident203 Ų20362.9 Ų62.977%0.76632%0.32SS*.THydrogen-bonded Turntrans-59.8-26.7172.6178.8176.7164.5-172.6-5.7114.1Y132 F133Y132-R135 WeakPolarHBondContact O-CB 3.46Å; F133-R135 PolarHBondContact O-N 2.89Å; F133-R135 VanDerWaalsContact O-N 3.12Å
136F87.8Confident89Confident23 Ų2367.4 Ų67.410%0.10133%0.331CS..THydrogen-bonded Turntrans-93.2-6.8175.8-53.5-82.5000112.3Y132 F133 N134 S166 Q169 A170 M173 H176Y132-F136 HydrophobicContact CD1-CE2 4.41Å; Y132-F136 AromaticContact CE1-CE2 3.93Å; Y132-F136 HydrophobicContact CE1-CE2 3.93Å; F133-F136 AromaticContact CD1-CD2 3.98Å; F133-F136 HydrophobicContact CD1-CD2 3.98Å; F133-F136 HydrophobicContact CD1-CE2 4.28Å; F133-F136 PolarHBondContact O-N 3.3Å; N134-F136 PolarHBondContact O-N 3.49Å; F136-S166 WeakPolarHBondContact O-CA 3.43Å; F136-S166 WeakPolarHBondContact O-CB 3.41Å; F136-S166 PolarHBondContact O-OG 2.78Å; F136-Q169 HydrophobicContact CD1-CB 4.2Å; F136-A170 HydrophobicContact CG-CB 4.42Å; F136-M173 HydrophobicContact CE1-SD 3.67Å; F136-M173 HydrophobicContact CZ-SD 3.83Å; F136-H176 AromaticContact CE2-CE1 3.76Å; F136-H176 AromaticContact CE2-ND1 3.96Å; F136-H176 AromaticContact CZ-CE1 3.43Å; F136-H176 VanDerWaalsContact CZ-CE1 3.43Å; F136-H176 WeakPolarHBondContact CZ-CE1 3.22Å; F136-H176 AromaticContact CZ-ND1 3.73Å
137G88.2Confident88.5Confident23 Ų2364.7 Ų64.724%0.23732%0.32CS..SBendtrans136.6171.3174.500000112.8N134 V139 F161 S166N134-G137 WeakPolarHBondContact CA-O 3.41Å; N134-G137 CarbonylContact O-C 3.58Å; N134-G137 WeakPolarHBondContact O-CA 3.4Å; N134-G137 PolarHBondContact O-N 2.67Å; G137-V139 PolarHBondContact O-N 3.11Å; G137-V139 VanDerWaalsContact O-N 3.16Å; G137-F161 WeakPolarHBondContact O-CD1 3.48Å; G137-F161 WeakPolarHBondContact O-CE1 3.2Å; G137-S166 WeakPolarHBondContact CA-OG 3.21Å
138V91.6Very high87.5Confident76 Ų7664.9 Ų64.946%0.46133%0.328SS..  trans-59.4117.4-169.4-177.60000111.7F161 E162V138-F161 CarbonylContact O-C 3.56Å; V138-F161 WeakPolarHBondContact O-CA 3.17Å; V138-E162 HydrophobicContact CB-CB 4.02Å; V138-E162 HydrophobicContact CG1-CB 4.32Å; V138-E162 PolarHBondContact O-N 3.04Å
139V92.8Very high86.7Confident7 Ų768.9 Ų68.94%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-83.1122.3173.7173.40000109.8R130 F133 G137 V142 I159 F161R130-V139 HydrophobicContact CG-CB 4.19Å; R130-V139 HydrophobicContact CG-CG1 4.1Å; F133-V139 HydrophobicContact CB-CG2 4.02Å; G137-V139 PolarHBondContact O-N 3.11Å; G137-V139 VanDerWaalsContact O-N 3.16Å; V139-V142 HydrophobicContact CG1-CG2 3.56Å; V139-I159 HydrophobicContact CB-CG2 4.36Å; V139-I159 HydrophobicContact CG1-CG2 3.62Å; V139-I159 HydrophobicContact CG2-CG2 3.89Å; V139-F161 HydrophobicContact CG2-CD1 3.9Å; V139-F161 HydrophobicContact CG2-CE1 3.64Å; V139-F161 HydrophobicContact CG2-CZ 4.5Å
140T89.4Confident85.9Confident85 Ų8575.4 Ų75.452%0.52138%0.375SS..EExtended strand (participates in β ladder)trans-97.2-26.8-179.2550000113.7T160 E162T140-T160 PolarHBondContact N-O 2.89Å; T140-T160 PolarHBondContact OG1-O 2.99Å; T140-E162 HydrophobicContact CG2-CB 3.77Å
141E87.1Confident84.8Confident90 Ų9076 Ų7642%0.42138%0.384SS..EExtended strand (participates in β ladder)trans-155.2137.5-177.3-177.2-160.1-129.400109.2K114 V143 I159 T160K114-E141 IonicContact NZ-OE2 2.67Å; K114-E141 PolarHBondContact NZ-OE2 3.12Å; E141-V143 HydrophobicContact CG-CG2 3.71Å; E141-I159 WeakPolarHBondContact O-CA 3.08Å; E141-T160 PolarHBondContact N-O 3.43Å; E141-T160 PolarHBondContact O-N 2.98Å; E141-T160 PolarHBondContact OE2-OG1 2.74Å
142V90.7Very high83.9Confident16 Ų1677.9 Ų77.910%0.09738%0.382CS..EExtended strand (participates in β ladder)trans-122.8133.9168179.30000107.6E126 L129 R130 V139 I159E126-V142 HydrophobicContact CG-CB 3.57Å; E126-V142 HydrophobicContact CG-CG1 3.63Å; E126-V142 HydrophobicContact CG-CG2 4.3Å; L129-V142 HydrophobicContact CD1-CG1 4.36Å; R130-V142 HydrophobicContact CB-CG2 4.18Å; V139-V142 HydrophobicContact CG1-CG2 3.56Å; V142-I159 HydrophobicContact CG1-CG1 4.21Å; V142-I159 HydrophobicContact CG2-CG1 4.19Å; V142-I159 HydrophobicContact CG2-CG2 4.32Å
143V88.5Confident83.2Confident49 Ų4977 Ų7730%0.29738%0.382SS..EExtended strand (participates in β ladder)trans-133.593.7-178.1-172.80000109.3E141 I145 G157 F158E141-V143 HydrophobicContact CG-CG2 3.71Å; V143-I145 HydrophobicContact CG1-CD1 4.03Å; V143-G157 CarbonylContact O-C 3.44Å; V143-G157 WeakPolarHBondContact O-CA 3.21Å; V143-F158 PolarHBondContact N-O 2.76Å; V143-F158 PolarHBondContact O-N 2.65Å
144M87.2Confident82.6Confident23 Ų2384.2 Ų84.211%0.11341%0.41CS..EExtended strand (participates in β ladder)trans-76.2137.6171.8-67.1178.670.900110.4I120 C124 G125 E126 L129 Y146 P153I120-M144 HydrophobicContact CG2-CE 4.28Å; C124-M144 WeakPolarHBondContact O-CE 3.22Å; G125-M144 VanDerWaalsContact C-SD 3.5Å; E126-M144 PolarHBondContact N-SD 3.45Å; E126-M144 VanDerWaalsContact N-SD 3.45Å; L129-M144 HydrophobicContact CD1-CE 4.49Å; L129-M144 HydrophobicContact CD1-CG 4.01Å; L129-M144 HydrophobicContact CD1-SD 3.93Å; M144-Y146 HydrophobicContact CB-CD2 4.47Å; M144-Y146 HydrophobicContact CB-CE2 3.64Å; M144-Y146 WeakPolarHBondContact O-CD2 3.42Å; M144-P153 HydrophobicContact CE-CB 4.23Å
145I84.9Confident82.3Confident42 Ų4281 Ų8122%0.21540%0.397CS..EExtended strand (participates in β ladder)trans-100.8112.5179.6-53.7-58.3000109.7V143 R154 F156 F158V143-I145 HydrophobicContact CG1-CD1 4.03Å; I145-R154 WeakPolarHBondContact O-CB 3.39Å; I145-R154 PolarHBondContact O-N 2.88Å; I145-F156 HydrophobicContact CB-CD2 4.12Å; I145-F156 HydrophobicContact CB-CE2 3.68Å; I145-F156 HydrophobicContact CB-CZ 3.99Å; I145-F156 HydrophobicContact CG1-CD2 4.02Å; I145-F156 HydrophobicContact CG1-CE2 3.6Å; I145-F156 HydrophobicContact CG1-CZ 4.36Å; I145-F156 HydrophobicContact CG2-CE2 4.04Å; I145-F156 HydrophobicContact CG2-CZ 3.92Å; I145-F156 PolarHBondContact N-O 3.27Å; I145-F158 HydrophobicContact CD1-CD2 4.38Å; I145-F158 HydrophobicContact CD1-CE2 4.28Å; I145-F158 HydrophobicContact CG1-CD2 4.24Å; I145-F158 HydrophobicContact CG1-CE2 3.98Å
146Y82.3Confident82.3Confident117 Ų11773.2 Ų73.246%0.45937%0.369SS..EExtended strand (participates in β ladder)trans-89.1152.9176.9-59.9-93.3000111.3M144 A148 P153M144-Y146 HydrophobicContact CB-CD2 4.47Å; M144-Y146 HydrophobicContact CB-CE2 3.64Å; M144-Y146 WeakPolarHBondContact O-CD2 3.42Å; Y146-A148 PolarHBondContact O-N 3.36Å; Y146-P153 HydrophobicContact CD1-CB 4.02Å; Y146-P153 HydrophobicContact CE1-CB 3.91Å; Y146-P153 HydrophobicContact CE1-CG 4.42Å
147D77.3Confident82.5Confident42 Ų4272.2 Ų72.223%0.22537%0.365CS..EExtended strand (participates in β ladder)trans-79.5110.3168.5-174.6-5.4000108E149 K150 Q151 R152 R154D147-E149 PolarHBondContact O-N 3.2Å; D147-E149 PolarHBondContact OD1-N 3.38Å; D147-K150 HydrophobicContact CB-CB 4.45Å; D147-K150 PolarHBondContact O-N 3.05Å; D147-Q151 WeakPolarHBondContact O-CA 3.4Å; D147-Q151 PolarHBondContact O-N 2.94Å; D147-R152 WeakPolarHBondContact CB-O 3.21Å; D147-R152 PolarHBondContact N-O 3.02Å; D147-R154 HydrophobicContact CB-CG 3.88Å
148A69.3Low82.7Confident86 Ų8672.6 Ų72.671%0.71136%0.36SS*.THydrogen-bonded Turntrans-60.8-32.6-175.900000112.5Y146 K150 Q151Y146-A148 PolarHBondContact O-N 3.36Å; A148-K150 VanDerWaalsContact C-N 3.31Å; A148-K150 PolarHBondContact O-N 3.16Å; A148-Q151 PolarHBondContact O-NE2 2.87Å
149E72.3Confident82.8Confident160 Ų16069 Ų6975%0.74834%0.338SS*.THydrogen-bonded Turntrans-71.2-26-179.6-62-179.5173.400113D147D147-E149 PolarHBondContact O-N 3.2Å; D147-E149 PolarHBondContact OD1-N 3.38Å
150K72.3Confident82.7Confident140 Ų14070 Ų7061%0.60934%0.344SS*.THydrogen-bonded Turntrans-130.70.7-165.5-67169-167.2133.30113.9D147 A148 R152D147-K150 HydrophobicContact CB-CB 4.45Å; D147-K150 PolarHBondContact O-N 3.05Å; A148-K150 VanDerWaalsContact C-N 3.31Å; A148-K150 PolarHBondContact O-N 3.16Å; K150-R152 HydrophobicContact CB-CB 4.42Å; K150-R152 PolarHBondContact O-N 2.86Å
151Q67.3Low82.9Confident149 Ų14966.1 Ų66.170%0.69632%0.32SS*.THydrogen-bonded Turntrans49.323.7-175.3-63.2-61.5-58.200114.3D147 A148D147-Q151 WeakPolarHBondContact O-CA 3.4Å; D147-Q151 PolarHBondContact O-N 2.94Å; A148-Q151 PolarHBondContact O-NE2 2.87Å
152R72.6Confident83.1Confident164 Ų16467.4 Ų67.462%0.61933%0.326SS*.EExtended strand (participates in β ladder)trans-102.1134.9-175.3-169.6177.6-173.5172.15.3109.6D147 K150 R154D147-R152 WeakPolarHBondContact CB-O 3.21Å; D147-R152 PolarHBondContact N-O 3.02Å; K150-R152 HydrophobicContact CB-CB 4.42Å; K150-R152 PolarHBondContact O-N 2.86Å; R152-R154 PolarHBondContact O-N 3.39Å
153P75.8Confident83Confident36 Ų3668.6 Ų68.623%0.23434%0.338CS..EExtended strand (participates in β ladder)trans-57.9132.4172.523.6-33.2000109.8M144 Y146 G155M144-P153 HydrophobicContact CE-CB 4.23Å; Y146-P153 HydrophobicContact CD1-CB 4.02Å; Y146-P153 HydrophobicContact CE1-CB 3.91Å; Y146-P153 HydrophobicContact CE1-CG 4.42Å; P153-G155 PolarHBondContact O-N 3.03Å
154R78.2Confident82.9Confident153 Ų15369.1 Ų69.158%0.57734%0.337SS*.EExtended strand (participates in β ladder)trans-7312.7179.9-67.517962.8174.3-2.7113.5I145 D147 R152 F156I145-R154 WeakPolarHBondContact O-CB 3.39Å; I145-R154 PolarHBondContact O-N 2.88Å; D147-R154 HydrophobicContact CB-CG 3.88Å; R152-R154 PolarHBondContact O-N 3.39Å; R154-F156 HydrophobicContact CB-CD1 3.72Å; R154-F156 HydrophobicContact CB-CE1 3.54Å; R154-F156 HydrophobicContact CB-CZ 4.45Å; R154-F156 HydrophobicContact CG-CE1 4.41Å; R154-F156 WeakPolarHBondContact O-CD1 3.31Å; R154-F156 PolarHBondContact O-N 3.02Å
155G83.6Confident82.9Confident18 Ų1874.2 Ų74.219%0.18636%0.36CS..EExtended strand (participates in β ladder)trans68.415.4-173.200000113.9G118 G119 I120 P153G118-G155 CarbonylContact C-O 3.58Å; G119-G155 PolarHBondContact N-O 2.82Å; I120-G155 PolarHBondContact N-O 2.85Å; I120-G155 WeakPolarHBondContact O-CA 3.41Å; P153-G155 PolarHBondContact O-N 3.03Å
156F90.1Very high83.2Confident39 Ų3972.5 Ų72.517%0.17135%0.352CS..EExtended strand (participates in β ladder)trans-145.8159.1175.174.9-93.4000113.3F116 V117 I145 R154 F158F116-F156 HydrophobicContact CD2-CD2 4.41Å; F116-F156 HydrophobicContact CE2-CB 3.78Å; F116-F156 AromaticContact CE2-CD2 3.68Å; F116-F156 HydrophobicContact CE2-CD2 3.68Å; F116-F156 HydrophobicContact CE2-CE2 4.48Å; F116-F156 AromaticContact CE2-CG 3.9Å; F116-F156 HydrophobicContact CE2-CG 3.9Å; F116-F156 HydrophobicContact CZ-CB 3.9Å; F116-F156 HydrophobicContact CZ-CG 4.36Å; V117-F156 CarbonylContact O-C 3.49Å; V117-F156 WeakPolarHBondContact O-CA 3.31Å; V117-F156 WeakPolarHBondContact O-CB 3.5Å; I145-F156 HydrophobicContact CB-CD2 4.12Å; I145-F156 HydrophobicContact CB-CE2 3.68Å; I145-F156 HydrophobicContact CB-CZ 3.99Å; I145-F156 HydrophobicContact CG1-CD2 4.02Å; I145-F156 HydrophobicContact CG1-CE2 3.6Å; I145-F156 HydrophobicContact CG1-CZ 4.36Å; I145-F156 HydrophobicContact CG2-CE2 4.04Å; I145-F156 HydrophobicContact CG2-CZ 3.92Å; I145-F156 PolarHBondContact N-O 3.27Å; R154-F156 HydrophobicContact CB-CD1 3.72Å; R154-F156 HydrophobicContact CB-CE1 3.54Å; R154-F156 HydrophobicContact CB-CZ 4.45Å; R154-F156 HydrophobicContact CG-CE1 4.41Å; R154-F156 WeakPolarHBondContact O-CD1 3.31Å; R154-F156 PolarHBondContact O-N 3.02Å; F156-F158 HydrophobicContact CE2-CE2 4.39Å
157G91.3Very high83.6Confident2 Ų266.9 Ų66.92%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-157.9-170.4176.600000111.2V117 V143V117-G157 PolarHBondContact N-O 3.29Å; V117-G157 PolarHBondContact O-N 3.42Å; V143-G157 CarbonylContact O-C 3.44Å; V143-G157 WeakPolarHBondContact O-CA 3.21Å
158F92.9Very high84.1Confident31 Ų3167.4 Ų67.414%0.13633%0.333CS..EExtended strand (participates in β ladder)trans-132.8148.1174.3-56.1-92000110K114 I115 F116 V143 I145 F156 A188K114-F158 HydrophobicContact CD-CB 4.37Å; K114-F158 HydrophobicContact CG-CB 4.27Å; I115-F158 WeakPolarHBondContact O-CA 3.32Å; I115-F158 WeakPolarHBondContact O-CB 3.27Å; F116-F158 HydrophobicContact CB-CD1 4.2Å; F116-F158 HydrophobicContact CB-CE1 4.16Å; F116-F158 HydrophobicContact CD2-CD1 4.4Å; F116-F158 AromaticContact CD2-CE1 3.88Å; F116-F158 HydrophobicContact CD2-CE1 3.88Å; F116-F158 HydrophobicContact CD2-CZ 4.22Å; V143-F158 PolarHBondContact N-O 2.76Å; V143-F158 PolarHBondContact O-N 2.65Å; I145-F158 HydrophobicContact CD1-CD2 4.38Å; I145-F158 HydrophobicContact CD1-CE2 4.28Å; I145-F158 HydrophobicContact CG1-CD2 4.24Å; I145-F158 HydrophobicContact CG1-CE2 3.98Å; F156-F158 HydrophobicContact CE2-CE2 4.39Å; F158-A188 HydrophobicContact CD1-CB 3.95Å; F158-A188 HydrophobicContact CE1-CB 4.32Å
159I92.7Very high85Confident1 Ų168.7 Ų68.71%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-126.7127.7175.7-58.8-178.1000108.2K114 I115 V117 L129 F133 V139 E141 V142 F161K114-I159 CarbonylContact C-O 3.57Å; K114-I159 VanDerWaalsContact CA-O 3.31Å; K114-I159 WeakPolarHBondContact CA-O 3.46Å; I115-I159 HydrophobicContact CD1-CB 4.11Å; I115-I159 HydrophobicContact CD1-CD1 4.49Å; I115-I159 HydrophobicContact CG1-CB 3.75Å; I115-I159 PolarHBondContact N-O 3.35Å; I115-I159 PolarHBondContact O-N 2.67Å; V117-I159 HydrophobicContact CG2-CB 4.49Å; V117-I159 HydrophobicContact CG2-CD1 3.89Å; V117-I159 HydrophobicContact CG2-CG1 3.91Å; L129-I159 HydrophobicContact CB-CD1 4.27Å; F133-I159 HydrophobicContact CB-CD1 4.08Å; F133-I159 HydrophobicContact CD2-CD1 3.22Å; F133-I159 HydrophobicContact CE2-CD1 3.78Å; F133-I159 HydrophobicContact CG-CD1 3.72Å; V139-I159 HydrophobicContact CB-CG2 4.36Å; V139-I159 HydrophobicContact CG1-CG2 3.62Å; V139-I159 HydrophobicContact CG2-CG2 3.89Å; E141-I159 WeakPolarHBondContact O-CA 3.08Å; V142-I159 HydrophobicContact CG1-CG1 4.21Å; V142-I159 HydrophobicContact CG2-CG1 4.19Å; V142-I159 HydrophobicContact CG2-CG2 4.32Å; I159-F161 HydrophobicContact CG2-CE2 4.35Å; I159-F161 HydrophobicContact CG2-CZ 4.34Å
160T91Very high85.9Confident27 Ų2761 Ų6117%0.16629%0.288CS..EExtended strand (participates in β ladder)trans-101.8130174-47.90000108.7K113 K114 T140 E141K113-T160 WeakPolarHBondContact O-CA 3.3Å; K113-T160 WeakPolarHBondContact O-CG2 3.28Å; K114-T160 WeakPolarHBondContact CD-OG1 3.19Å; K114-T160 WeakPolarHBondContact CE-OG1 3.36Å; K114-T160 PolarHBondContact NZ-OG1 2.94Å; T140-T160 PolarHBondContact N-O 2.89Å; T140-T160 PolarHBondContact OG1-O 2.99Å; E141-T160 PolarHBondContact N-O 3.43Å; E141-T160 PolarHBondContact O-N 2.98Å; E141-T160 PolarHBondContact OE2-OG1 2.74Å
161F93.3Very high86.6Confident3 Ų355.3 Ų55.31%0.01327%0.265CS..EExtended strand (participates in β ladder)trans-101.6159.1177.7-69.4-82.3000111.8K113 I115 F133 G137 V138 V139 I159 A163 S166 V167 A170K113-F161 PolarHBondContact O-N 3.44Å; I115-F161 HydrophobicContact CD1-CE2 3.71Å; I115-F161 HydrophobicContact CD1-CZ 4.13Å; I115-F161 HydrophobicContact CG1-CE2 3.88Å; I115-F161 HydrophobicContact CG2-CE2 4.28Å; F133-F161 HydrophobicContact CB-CE1 4.28Å; F133-F161 HydrophobicContact CB-CZ 4.11Å; F133-F161 HydrophobicContact CD1-CZ 4.22Å; G137-F161 WeakPolarHBondContact O-CD1 3.48Å; G137-F161 WeakPolarHBondContact O-CE1 3.2Å; V138-F161 CarbonylContact O-C 3.56Å; V138-F161 WeakPolarHBondContact O-CA 3.17Å; V139-F161 HydrophobicContact CG2-CD1 3.9Å; V139-F161 HydrophobicContact CG2-CE1 3.64Å; V139-F161 HydrophobicContact CG2-CZ 4.5Å; I159-F161 HydrophobicContact CG2-CE2 4.35Å; I159-F161 HydrophobicContact CG2-CZ 4.34Å; F161-A163 WeakPolarHBondContact CB-O 3.4Å; F161-S166 VanDerWaalsContact CD1-CB 3.46Å; F161-V167 HydrophobicContact CD2-CG2 3.7Å; F161-V167 HydrophobicContact CE2-CG2 4.38Å; F161-A170 HydrophobicContact CE2-CB 4.48Å; F161-A170 HydrophobicContact CZ-CB 4.43Å
162E90.8Very high87.6Confident117 Ų11754.3 Ų54.355%0.54727%0.265SS..SBendtrans-70-40.1168.7-172.9172.1-16000111.5K113 V138 T140K113-E162 WeakPolarHBondContact CD-O 3.4Å; K113-E162 WeakPolarHBondContact CE-O 3.46Å; K113-E162 PolarHBondContact NZ-O 3.25Å; V138-E162 HydrophobicContact CB-CB 4.02Å; V138-E162 HydrophobicContact CG1-CB 4.32Å; V138-E162 PolarHBondContact O-N 3.04Å; T140-E162 HydrophobicContact CG2-CB 3.77Å
163A88.4Confident88Confident42 Ų4251.1 Ų51.135%0.34726%0.258SS..SBendtrans-106144.6-178.800000112.4F161F161-A163 WeakPolarHBondContact CB-O 3.4Å
164E86.7Confident88.2Confident59 Ų5954 Ų5428%0.27627%0.268SS..Hα-helixtrans-68.2-38.2175-171-179.514400111.1K111 S166 V167 D168K111-E164 VanDerWaalsContact CE-OE1 3.28Å; K111-E164 WeakPolarHBondContact CE-OE1 3.43Å; K111-E164 WeakPolarHBondContact CE-OE2 3.45Å; K111-E164 VanDerWaalsContact CG-CD 3.41Å; K111-E164 WeakPolarHBondContact CG-OE1 3.46Å; K111-E164 WeakPolarHBondContact CG-OE2 3.45Å; E164-S166 PolarHBondContact O-N 2.82Å; E164-S166 VanDerWaalsContact O-N 3.15Å; E164-V167 VanDerWaalsContact O-CB 3.27Å; E164-V167 WeakPolarHBondContact O-CB 3.49Å; E164-V167 PolarHBondContact O-N 3.32Å; E164-D168 PolarHBondContact O-N 2.86Å
165Q88.3Confident88.7Confident130 Ų13051.1 Ų51.161%0.60726%0.26SS*.Hα-helixtrans-58.1-29.7178.1-61.5-71.6-94.500113.5V167 D168 Q169Q165-V167 VanDerWaalsContact C-N 3.32Å; Q165-V167 PolarHBondContact O-N 3.47Å; Q165-D168 PolarHBondContact NE2-OD2 2.8Å; Q165-D168 PolarHBondContact O-N 3.27Å; Q165-Q169 WeakPolarHBondContact O-CG 3.48Å; Q165-Q169 PolarHBondContact O-N 2.8Å
166S90.9Very high89Confident6 Ų650.3 Ų50.34%0.04225%0.251CS..Hα-helixtrans-65.3-35.2174.9-54.20000112.6F136 G137 F161 E164 A170F136-S166 WeakPolarHBondContact O-CA 3.43Å; F136-S166 WeakPolarHBondContact O-CB 3.41Å; F136-S166 PolarHBondContact O-OG 2.78Å; G137-S166 WeakPolarHBondContact CA-OG 3.21Å; F161-S166 VanDerWaalsContact CD1-CB 3.46Å; E164-S166 PolarHBondContact O-N 2.82Å; E164-S166 VanDerWaalsContact O-N 3.15Å; S166-A170 WeakPolarHBondContact O-CB 3.44Å; S166-A170 PolarHBondContact O-N 2.78Å
167V89.9Confident88.9Confident0 Ų053.4 Ų53.40%027%0.27CS..Hα-helixtrans-66.5-46.3173.5173.90000109.9K113 I115 F161 E164 Q165 Q169 A170 V171 K187K113-V167 VanDerWaalsContact C-CG2 3.43Å; I115-V167 HydrophobicContact CG2-CB 4.26Å; I115-V167 HydrophobicContact CG2-CG1 3.77Å; I115-V167 HydrophobicContact CG2-CG2 4.27Å; F161-V167 HydrophobicContact CD2-CG2 3.7Å; F161-V167 HydrophobicContact CE2-CG2 4.38Å; E164-V167 VanDerWaalsContact O-CB 3.27Å; E164-V167 WeakPolarHBondContact O-CB 3.49Å; E164-V167 PolarHBondContact O-N 3.32Å; Q165-V167 VanDerWaalsContact C-N 3.32Å; Q165-V167 PolarHBondContact O-N 3.47Å; V167-Q169 PolarHBondContact O-N 3.18Å; V167-A170 PolarHBondContact O-N 3.21Å; V167-V171 HydrophobicContact CG1-CG2 4.22Å; V167-V171 VanDerWaalsContact O-CB 3.31Å; V167-V171 WeakPolarHBondContact O-CB 3.27Å; V167-V171 WeakPolarHBondContact O-CG2 3.4Å; V167-V171 PolarHBondContact O-N 3.39Å; V167-K187 HydrophobicContact CG1-CD 4.25Å; V167-K187 HydrophobicContact CG1-CG 3.86Å
168D88.5Confident88.7Confident53 Ų5353.8 Ų53.828%0.28327%0.271SS..Hα-helixtrans-62.1-43.4179-64.9-52.6000111.8E164 Q165 N172 K187E164-D168 PolarHBondContact O-N 2.86Å; Q165-D168 PolarHBondContact NE2-OD2 2.8Å; Q165-D168 PolarHBondContact O-N 3.27Å; D168-N172 WeakPolarHBondContact O-CB 3.32Å; D168-N172 PolarHBondContact O-N 3.07Å; D168-K187 WeakPolarHBondContact OD1-CE 3.43Å; D168-K187 IonicContact OD1-NZ 2.66Å; D168-K187 PolarHBondContact OD1-NZ 3.16Å
169Q89.1Confident88Confident112 Ų11256.5 Ų56.552%0.52329%0.285SS..Hα-helixtrans-66-44.4177.7-71.9-172.16.500113.1F136 Q165 V167F136-Q169 HydrophobicContact CD1-CB 4.2Å; Q165-Q169 WeakPolarHBondContact O-CG 3.48Å; Q165-Q169 PolarHBondContact O-N 2.8Å; V167-Q169 PolarHBondContact O-N 3.18Å
170A89.3Confident87.5Confident0 Ų060.2 Ų60.20%032%0.324CS..Hα-helixtrans-65.4-44.6177.100000111.5I115 F133 F136 F161 S166 V167 N172 M173 H176 V185I115-A170 HydrophobicContact CD1-CB 4.24Å; F133-A170 HydrophobicContact CD1-CB 4.38Å; F133-A170 HydrophobicContact CE1-CB 4.32Å; F136-A170 HydrophobicContact CG-CB 4.42Å; F161-A170 HydrophobicContact CE2-CB 4.48Å; F161-A170 HydrophobicContact CZ-CB 4.43Å; S166-A170 WeakPolarHBondContact O-CB 3.44Å; S166-A170 PolarHBondContact O-N 2.78Å; V167-A170 PolarHBondContact O-N 3.21Å; A170-N172 PolarHBondContact O-N 2.76Å; A170-M173 PolarHBondContact O-N 2.84Å; A170-H176 PolarHBondContact O-NE2 2.79Å; A170-V185 HydrophobicContact CB-CG1 4.13Å
171V88.8Confident87.3Confident20 Ų2064 Ų6412%0.12134%0.338CS..Hα-helixtrans-69.3-32.8179.2176.70000112I115 V167 M173 H174 V185 K186 K187I115-V171 HydrophobicContact CG2-CG2 3.66Å; V167-V171 HydrophobicContact CG1-CG2 4.22Å; V167-V171 VanDerWaalsContact O-CB 3.31Å; V167-V171 WeakPolarHBondContact O-CB 3.27Å; V167-V171 WeakPolarHBondContact O-CG2 3.4Å; V167-V171 PolarHBondContact O-N 3.39Å; V171-M173 VanDerWaalsContact C-N 3.25Å; V171-M173 PolarHBondContact O-N 2.93Å; V171-H174 WeakPolarHBondContact O-CA 3.47Å; V171-H174 PolarHBondContact O-CE1 3.26Å; V171-H174 VanDerWaalsContact O-CE1 3.27Å; V171-H174 VanDerWaalsContact O-CG 3.3Å; V171-H174 PolarHBondContact O-N 3.35Å; V171-H174 PolarHBondContact O-ND1 3.1Å; V171-V185 HydrophobicContact CG2-CG1 4Å; V171-K186 VanDerWaalsContact CG2-C 3.45Å; V171-K187 HydrophobicContact CB-CG 4.45Å; V171-K187 HydrophobicContact CG1-CG 4.29Å; V171-K187 HydrophobicContact CG2-CG 3.89Å
172N87.2Confident87.2Confident128 Ų12870 Ų7068%0.68436%0.364SS*.Hα-helixtrans-56.6-38.5177.7-178.764.4000112.6D168 A170 H174D168-N172 WeakPolarHBondContact O-CB 3.32Å; D168-N172 PolarHBondContact O-N 3.07Å; A170-N172 PolarHBondContact O-N 2.76Å; N172-H174 VanDerWaalsContact C-N 3.29Å; N172-H174 PolarHBondContact O-N 3.26Å; N172-H174 PolarHBondContact O-ND1 3.36Å
173M81.1Confident87.2Confident97 Ų9764.4 Ų64.448%0.47834%0.338SS..Hα-helixtrans-69.5-25.1175.8-69.8-172.663.100113.3F136 A170 V171 F175F136-M173 HydrophobicContact CE1-SD 3.67Å; F136-M173 HydrophobicContact CZ-SD 3.83Å; A170-M173 PolarHBondContact O-N 2.84Å; V171-M173 VanDerWaalsContact C-N 3.25Å; V171-M173 PolarHBondContact O-N 2.93Å; M173-F175 PolarHBondContact O-N 2.82Å
174H80.3Confident87.3Confident97 Ų9765.1 Ų65.145%0.44933%0.334SS..  trans57.9-29.3-175.9-67.779.8000116.5V171 N172 E184 V185V171-H174 WeakPolarHBondContact O-CA 3.47Å; V171-H174 PolarHBondContact O-CE1 3.26Å; V171-H174 VanDerWaalsContact O-CE1 3.27Å; V171-H174 VanDerWaalsContact O-CG 3.3Å; V171-H174 PolarHBondContact O-N 3.35Å; V171-H174 PolarHBondContact O-ND1 3.1Å; N172-H174 VanDerWaalsContact C-N 3.29Å; N172-H174 PolarHBondContact O-N 3.26Å; N172-H174 PolarHBondContact O-ND1 3.36Å; H174-E184 WeakPolarHBondContact O-CA 3.31Å; H174-V185 PolarHBondContact O-N 3.26Å
175F89.5Confident87.6Confident91 Ų9162.3 Ų62.340%0.39932%0.321SS..EExtended strand (participates in β ladder)trans-140.5139.9-179.3-63.5-79.6000111.2M173 K182 V183 E184M173-F175 PolarHBondContact O-N 2.82Å; F175-K182 HydrophobicContact CB-CD 4.2Å; F175-K182 HydrophobicContact CB-CG 3.83Å; F175-K182 HydrophobicContact CD1-CD 4.3Å; F175-K182 HydrophobicContact CD1-CG 3.9Å; F175-K182 HydrophobicContact CG-CD 4.32Å; F175-K182 VanDerWaalsContact CG-CE 3.4Å; F175-K182 HydrophobicContact CG-CG 4.15Å; F175-V183 CarbonylContact C-O 3.57Å; F175-V183 VanDerWaalsContact CA-O 3.27Å; F175-V183 WeakPolarHBondContact CA-O 3.36Å; F175-E184 HydrophobicContact CD1-CB 4.1Å; F175-E184 HydrophobicContact CD1-CG 4.36Å; F175-E184 HydrophobicContact CE1-CB 3.94Å; F175-E184 HydrophobicContact CE1-CG 3.92Å
176H88.8Confident87.8Confident1 Ų160.5 Ų60.51%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-133.4124.4-176.9-66.8-91.2000109.6Y132 F136 A170 I178 V183 V185Y132-H176 HydrophobicContact CE1-CB 3.67Å; Y132-H176 AromaticContact CE1-CG 3.75Å; Y132-H176 AromaticContact CE1-ND1 3.42Å; Y132-H176 WeakPolarHBondContact CE1-ND1 3.1Å; Y132-H176 AromaticContact CZ-ND1 3.72Å; Y132-H176 WeakPolarHBondContact OH-CB 3.43Å; Y132-H176 PolarHBondContact OH-ND1 2.85Å; Y132-H176 VanDerWaalsContact OH-ND1 3.11Å; F136-H176 AromaticContact CE2-CE1 3.76Å; F136-H176 AromaticContact CE2-ND1 3.96Å; F136-H176 AromaticContact CZ-CE1 3.43Å; F136-H176 VanDerWaalsContact CZ-CE1 3.43Å; F136-H176 WeakPolarHBondContact CZ-CE1 3.22Å; F136-H176 AromaticContact CZ-ND1 3.73Å; A170-H176 PolarHBondContact O-NE2 2.79Å; H176-I178 HydrophobicContact CB-CD1 4.33Å; H176-I178 HydrophobicContact CB-CG1 4.22Å; H176-I178 PolarHBondContact O-N 2.94Å; H176-V183 PolarHBondContact N-O 3.28Å; H176-V183 WeakPolarHBondContact O-CB 3.08Å; H176-V183 PolarHBondContact O-N 2.77Å; H176-V185 WeakPolarHBondContact CD2-CG2 3.47Å
177D88.4Confident87.7Confident105 Ų10562.1 Ų62.156%0.56132%0.317SS*.EExtended strand (participates in β ladder)trans-84.5105.1177.2-67.8-72.4000110.2K181 K182D177-K181 WeakPolarHBondContact CA-O 3.34Å; D177-K182 WeakPolarHBondContact OD1-CA 3.36Å; D177-K182 WeakPolarHBondContact OD1-CB 3.15Å
178I85.9Confident87.4Confident9 Ų962.3 Ų62.35%0.04632%0.319CS..EExtended strand (participates in β ladder)trans-118.9124.5-177-54.6-179.3000108L129 Y132 F133 H176 G180 K181 V183L129-I178 HydrophobicContact CD2-CD1 4.26Å; Y132-I178 HydrophobicContact CD1-CD1 3.54Å; Y132-I178 HydrophobicContact CD1-CG1 3.96Å; Y132-I178 HydrophobicContact CD2-CD1 4.45Å; Y132-I178 HydrophobicContact CD2-CG1 4.07Å; Y132-I178 HydrophobicContact CE1-CD1 3.84Å; Y132-I178 HydrophobicContact CE1-CG1 3.97Å; Y132-I178 HydrophobicContact CE2-CG1 4.06Å; Y132-I178 HydrophobicContact CG-CD1 3.9Å; Y132-I178 HydrophobicContact CG-CG1 4.03Å; F133-I178 HydrophobicContact CE2-CD1 3.84Å; F133-I178 HydrophobicContact CZ-CD1 4.24Å; H176-I178 HydrophobicContact CB-CD1 4.33Å; H176-I178 HydrophobicContact CB-CG1 4.22Å; H176-I178 PolarHBondContact O-N 2.94Å; I178-G180 PolarHBondContact O-N 2.9Å; I178-G180 VanDerWaalsContact O-N 3.16Å; I178-K181 PolarHBondContact N-O 3.02Å; I178-K181 PolarHBondContact O-N 2.97Å; I178-K181 VanDerWaalsContact O-O 3.12Å; I178-V183 HydrophobicContact CB-CG2 4Å; I178-V183 HydrophobicContact CD1-CB 4.21Å; I178-V183 HydrophobicContact CD1-CG1 4.38Å; I178-V183 HydrophobicContact CD1-CG2 4.11Å; I178-V183 HydrophobicContact CG1-CB 4.47Å; I178-V183 HydrophobicContact CG1-CG2 4.19Å
179M80.1Confident87Confident88 Ų8867.5 Ų67.543%0.43334%0.342SS..THydrogen-bonded Turntrans49.337.2-175.6-64.1-173.3171.500114.3P121 N123 C124 E128 K181P121-M179 HydrophobicContact CG-CB 4.22Å; N123-M179 PolarHBondContact ND2-SD 3.32Å; N123-M179 VanDerWaalsContact ND2-SD 3.39Å; C124-M179 HydrophobicContact CB-CE 4.38Å; C124-M179 HydrophobicContact CB-SD 3.71Å; E128-M179 HydrophobicContact CB-CE 4.03Å; E128-M179 HydrophobicContact CG-CE 3.65Å; M179-K181 VanDerWaalsContact C-N 3.27Å; M179-K181 PolarHBondContact O-N 2.97Å
180G81.4Confident86.1Confident79 Ų7967 Ų6781%0.81435%0.348SS*.THydrogen-bonded Turntrans72.514.5-178.500000114.7I178I178-G180 PolarHBondContact O-N 2.9Å; I178-G180 VanDerWaalsContact O-N 3.16Å
181K87.1Confident84.8Confident107 Ų10774.4 Ų74.447%0.46538%0.376SS..EExtended strand (participates in β ladder)trans-119.9140.3168.7-66.2-138.4-169.6-171.50111.8P121 D177 I178 M179 V183P121-K181 HydrophobicContact CB-CB 4.18Å; P121-K181 HydrophobicContact CB-CD 3.82Å; P121-K181 HydrophobicContact CB-CG 3.86Å; P121-K181 HydrophobicContact CG-CB 4.21Å; P121-K181 HydrophobicContact CG-CG 4.35Å; D177-K181 WeakPolarHBondContact CA-O 3.34Å; I178-K181 PolarHBondContact N-O 3.02Å; I178-K181 PolarHBondContact O-N 2.97Å; I178-K181 VanDerWaalsContact O-O 3.12Å; M179-K181 VanDerWaalsContact C-N 3.27Å; M179-K181 PolarHBondContact O-N 2.97Å; K181-V183 PolarHBondContact O-N 2.99Å
182K89.9Confident83.1Confident128 Ų12876.9 Ų76.956%0.55739%0.388SS*.EExtended strand (participates in β ladder)trans-80101.9177.1-165.3164.6-176.1166.80110.5F175 D177F175-K182 HydrophobicContact CB-CD 4.2Å; F175-K182 HydrophobicContact CB-CG 3.83Å; F175-K182 HydrophobicContact CD1-CD 4.3Å; F175-K182 HydrophobicContact CD1-CG 3.9Å; F175-K182 HydrophobicContact CG-CD 4.32Å; F175-K182 VanDerWaalsContact CG-CE 3.4Å; F175-K182 HydrophobicContact CG-CG 4.15Å; D177-K182 WeakPolarHBondContact OD1-CA 3.36Å; D177-K182 WeakPolarHBondContact OD1-CB 3.15Å
183V92.7Very high81.2Confident0 Ų078.6 Ų78.60%040%0.397CS..EExtended strand (participates in β ladder)trans-87.2125.7178.61760000109.1V117 G118 I120 F175 H176 I178 K181V117-V183 HydrophobicContact CG1-CG1 3.3Å; G118-V183 CarbonylContact O-C 3.46Å; G118-V183 VanDerWaalsContact O-CA 3.31Å; G118-V183 WeakPolarHBondContact O-CA 3.41Å; G118-V183 VanDerWaalsContact O-CG1 3.32Å; G118-V183 WeakPolarHBondContact O-CG1 3.21Å; I120-V183 HydrophobicContact CG1-CG1 4.31Å; F175-V183 CarbonylContact C-O 3.57Å; F175-V183 VanDerWaalsContact CA-O 3.27Å; F175-V183 WeakPolarHBondContact CA-O 3.36Å; H176-V183 PolarHBondContact N-O 3.28Å; H176-V183 WeakPolarHBondContact O-CB 3.08Å; H176-V183 PolarHBondContact O-N 2.77Å; I178-V183 HydrophobicContact CB-CG2 4Å; I178-V183 HydrophobicContact CD1-CB 4.21Å; I178-V183 HydrophobicContact CD1-CG1 4.38Å; I178-V183 HydrophobicContact CD1-CG2 4.11Å; I178-V183 HydrophobicContact CG1-CB 4.47Å; I178-V183 HydrophobicContact CG1-CG2 4.19Å; K181-V183 PolarHBondContact O-N 2.99Å
184E90.1Very high79.6Confident58 Ų5881.9 Ų81.927%0.27141%0.409SS..EExtended strand (participates in β ladder)trans-82.3137.3176.4-174.2-177.1-125.400111V117 G118 H174 F175 K186V117-E184 CarbonylContact C-O 3.58Å; V117-E184 WeakPolarHBondContact CA-O 3.48Å; G118-E184 PolarHBondContact N-O 2.96Å; G118-E184 PolarHBondContact O-N 2.78Å; H174-E184 WeakPolarHBondContact O-CA 3.31Å; F175-E184 HydrophobicContact CD1-CB 4.1Å; F175-E184 HydrophobicContact CD1-CG 4.36Å; F175-E184 HydrophobicContact CE1-CB 3.94Å; F175-E184 HydrophobicContact CE1-CG 3.92Å; E184-K186 VanDerWaalsContact CD-CE 3.41Å; E184-K186 HydrophobicContact CG-CD 4.47Å; E184-K186 WeakPolarHBondContact OE1-CE 3.49Å; E184-K186 IonicContact OE1-NZ 2.75Å; E184-K186 PolarHBondContact OE1-NZ 3.49Å; E184-K186 WeakPolarHBondContact OE2-CE 3.47Å; E184-K186 IonicContact OE2-NZ 2.7Å; E184-K186 PolarHBondContact OE2-NZ 3.27Å
185V93.1Very high77.5Confident0 Ų080.7 Ų80.70%042%0.416CS..EExtended strand (participates in β ladder)trans-127.5130.9178173.60000111.1I115 F116 V117 F133 A170 V171 H174 H176I115-V185 HydrophobicContact CB-CG1 4.07Å; I115-V185 HydrophobicContact CD1-CG1 3.8Å; I115-V185 HydrophobicContact CG2-CG1 4.03Å; F116-V185 WeakPolarHBondContact O-CA 3.15Å; V117-V185 HydrophobicContact CG1-CG2 4.41Å; V117-V185 HydrophobicContact CG2-CG2 4.41Å; F133-V185 HydrophobicContact CE1-CG2 3.85Å; F133-V185 HydrophobicContact CZ-CG2 3.59Å; A170-V185 HydrophobicContact CB-CG1 4.13Å; V171-V185 HydrophobicContact CG2-CG1 4Å; H174-V185 PolarHBondContact O-N 3.26Å; H176-V185 WeakPolarHBondContact CD2-CG2 3.47Å
186K90.9Very high75.4Confident91 Ų9182.2 Ų82.240%0.39644%0.435SS..EExtended strand (participates in β ladder)trans-139156.2-179.3-76.6165175.91570110.2I115 F116 V171 E184 A188I115-K186 CarbonylContact C-O 3.44Å; I115-K186 VanDerWaalsContact CA-O 3.3Å; I115-K186 WeakPolarHBondContact CA-O 3.32Å; I115-K186 WeakPolarHBondContact CB-O 3.15Å; F116-K186 HydrophobicContact CD1-CB 4.38Å; F116-K186 PolarHBondContact N-O 2.81Å; F116-K186 PolarHBondContact O-N 3.18Å; V171-K186 VanDerWaalsContact CG2-C 3.45Å; E184-K186 VanDerWaalsContact CD-CE 3.41Å; E184-K186 HydrophobicContact CG-CD 4.47Å; E184-K186 WeakPolarHBondContact OE1-CE 3.49Å; E184-K186 IonicContact OE1-NZ 2.75Å; E184-K186 PolarHBondContact OE1-NZ 3.49Å; E184-K186 WeakPolarHBondContact OE2-CE 3.47Å; E184-K186 IonicContact OE2-NZ 2.7Å; E184-K186 PolarHBondContact OE2-NZ 3.27Å; K186-A188 PolarHBondContact O-N 3.17Å
187K89.5Confident73.4Confident40 Ų4085.6 Ų85.617%0.17447%0.47CS..EExtended strand (participates in β ladder)trans-58.5132.6166.8-69.4-161.6176-1710108.1N110 V167 D168 V171 E189N110-K187 PolarHBondContact O-NZ 3.46Å; N110-K187 PolarHBondContact OD1-NZ 2.66Å; V167-K187 HydrophobicContact CG1-CD 4.25Å; V167-K187 HydrophobicContact CG1-CG 3.86Å; D168-K187 WeakPolarHBondContact OD1-CE 3.43Å; D168-K187 IonicContact OD1-NZ 2.66Å; D168-K187 PolarHBondContact OD1-NZ 3.16Å; V171-K187 HydrophobicContact CB-CG 4.45Å; V171-K187 HydrophobicContact CG1-CG 4.29Å; V171-K187 HydrophobicContact CG2-CG 3.89Å; K187-E189 PolarHBondContact O-N 3.05Å
188A84.9Confident71Confident5 Ų589 Ų894%0.04148%0.483CS..PPolyproline II helixtrans-70.8119.4-177.900000109.6K114 F158 K186K114-A188 HydrophobicContact CB-CB 3.96Å; K114-A188 HydrophobicContact CG-CB 3.86Å; K114-A188 WeakPolarHBondContact O-CB 3.2Å; K114-A188 PolarHBondContact O-N 2.84Å; F158-A188 HydrophobicContact CD1-CB 3.95Å; F158-A188 HydrophobicContact CE1-CB 4.32Å; K186-A188 PolarHBondContact O-N 3.17Å
189E80Confident68.8Low162 Ų16296.5 Ų96.576%0.75752%0.522SS*.PPolyproline II helixtrans-59.8135166.9-64.5-162.5134.500109.2K187 R191K187-E189 PolarHBondContact O-N 3.05Å; E189-R191 VanDerWaalsContact C-N 3.3Å; E189-R191 PolarHBondContact O-N 3.34Å
190P69.9Low66.7Low100 Ų10095 Ų9565%0.64953%0.529SS*.  trans-68.890.2179.728-34.2000109.5D192P190-D192 PolarHBondContact O-N 2.75Å
191R61.9Low64.9Low157 Ų15797.9 Ų97.959%0.59253%0.534SS*.  trans-66.2106.2177.6-176.8171.2-179.6177.9-0.8109.6E189 N193E189-R191 VanDerWaalsContact C-N 3.3Å; E189-R191 PolarHBondContact O-N 3.34Å; R191-N193 PolarHBondContact O-N 2.79Å
192D53.4Low63Low72 Ų7295.9 Ų95.939%0.38554%0.543SS..  trans-42.6127160.9-95.1-46.9000109.7W102 P190 K194W102-D192 WeakPolarHBondContact CZ2-OD1 3.2Å; W102-D192 WeakPolarHBondContact CZ2-OD2 3.23Å; P190-D192 PolarHBondContact O-N 2.75Å; D192-K194 HydrophobicContact CB-CG 4.41Å; D192-K194 PolarHBondContact O-N 2.91Å
193N46.7Very low60.6Low163 Ų16397.8 Ų97.887%0.87255%0.554SS**  trans-78.248.4-176.8-160.678.2000112.1R191 A195R191-N193 PolarHBondContact O-N 2.79Å; N193-A195 PolarHBondContact O-N 2.77Å
194K48.2Very low57.9Low167 Ų167109.1 Ų109.173%0.72660%0.597SS**  trans-69.6108.8164.1-69-178.1-179179.60107.5D192D192-K194 HydrophobicContact CB-CG 4.41Å; D192-K194 PolarHBondContact O-N 2.91Å
195A34.7Very low55.5Low71 Ų71109.6 Ų109.659%0.58761%0.611SS**  trans-57137.2178.200000110.6N193 G197N193-A195 PolarHBondContact O-N 2.77Å; A195-G197 PolarHBondContact O-N 3.25Å
196P45.2Very low53.1Low123 Ų123115.5 Ų115.580%0.79965%0.649SS**THydrogen-bonded Turntrans-69105.6173.329.3-32.3000109
197G48.4Very low50.6Low72 Ų72122.7 Ų122.774%0.74267%0.674SS**THydrogen-bonded Turntrans145.2-20.3173.900000116.2A195 L199A195-G197 PolarHBondContact O-N 3.25Å; G197-L199 PolarHBondContact O-N 3.06Å; G197-L199 VanDerWaalsContact O-N 3.07Å
198Q36.3Very low47.9Very low178 Ų178123.9 Ų123.983%0.83270%0.697SS**  trans-83.891178.6-166.5165.171.600111.7G200Q198-G200 PolarHBondContact O-N 3.13Å; Q198-G200 VanDerWaalsContact O-N 3.13Å
199L41.2Very low45.7Very low166 Ų166131.2 Ų131.287%0.86973%0.734SS**  trans-61.1106.7159.9-70.6168.3000108.6G197G197-L199 PolarHBondContact O-N 3.06Å; G197-L199 VanDerWaalsContact O-N 3.07Å
200G35.3Very low43.5Very low57 Ų57131.7 Ų131.759%0.58874%0.741SS**  trans-67.4135.1172.200000110.5Q198 G202Q198-G200 PolarHBondContact O-N 3.13Å; Q198-G200 VanDerWaalsContact O-N 3.13Å; G200-G202 PolarHBondContact O-N 3.07Å
201P42.8Very low41.6Very low139 Ų139133 Ų13390%0.90375%0.748SS**SBendtrans-66.5132.5178.127.6-33.8000110.7
202G48.8Very low40.3Very low65 Ų65129.9 Ų129.967%0.6776%0.756SS**SBendtrans97.637.1164.500000118.2G200G200-G202 PolarHBondContact O-N 3.07Å
203Q39.3Very low39.4Very low168 Ų168130.6 Ų130.679%0.78577%0.771SS**  trans-140.351.8163.3-153.6167.3105.600115.3A205Q203-A205 HydrophobicContact CG-CB 4.43Å; Q203-A205 PolarHBondContact O-N 3.45Å; Q203-A205 VanDerWaalsContact O-N 3.15Å
204W36.3Very low38.9Very low238 Ų238130.1 Ų130.190%0.90277%0.769SS**  trans-8153157.238.2-95.2000111.2
205A38.8Very low38Very low68 Ų68125.5 Ų125.556%0.56277%0.769SS**  trans-92.3119.4167.500000108.5Q203 R207Q203-A205 HydrophobicContact CG-CB 4.43Å; Q203-A205 PolarHBondContact O-N 3.45Å; Q203-A205 VanDerWaalsContact O-N 3.15Å; A205-R207 PolarHBondContact O-N 3.02Å
206P42.8Very low37.9Very low124 Ų124133.8 Ų133.881%0.80579%0.785SS**  trans-61.3137.6174.726.1-33.1000109.4G208P206-G208 PolarHBondContact O-N 2.79Å
207R38.1Very low37.7Very low241 Ų241134.4 Ų134.491%0.90979%0.787SS**  trans-70.677.2179.7-80.5-77.9-167.6146.83.3110.8A205 I209A205-R207 PolarHBondContact O-N 3.02Å; R207-I209 PolarHBondContact O-N 3.15Å
208G34.1Very low37.1Very low65 Ų65135.8 Ų135.867%0.6779%0.791SS**  trans-56.4132.9164.900000110.2P206P206-G208 PolarHBondContact O-N 2.79Å
209I38.2Very low37.2Very low160 Ų160136.4 Ų136.482%0.82179%0.794SS**  trans-71.6130179.5-66.7170.3000108.9R207R207-I209 PolarHBondContact O-N 3.15Å
210L33.5Very low37.1Very low171 Ų171134.7 Ų134.790%0.89579%0.793SS**  trans-117.796.6168.1-75.4176.7000109.5
211T30.6Very low37.1Very low128 Ų128136.5 Ų136.579%0.78580%0.802SS**  trans-155.9146162.1-73.50000108.6
212A33.1Very low37.3Very low92 Ų92136 Ų13676%0.7680%0.799SS**  trans66.5114.5173.400000117.3
213A34.7Very low36.3Very low86 Ų86136 Ų13671%0.71180%0.799SS**  trans-77.2-177.5151.900000110.4
214N36Very low35.8Very low153 Ų153138.5 Ų138.582%0.81880%0.801SS**  trans84.652.9170.2-54.2-5.9000118.1
215G31Very low35.8Very low71 Ų71135.7 Ų135.773%0.73280%0.798SS**  trans74.9-167.5134.200000119.1
216W32Very low35.7Very low245 Ų245140.9 Ų140.993%0.92881%0.811SS**  trans70.6118.8-175.4-59.799.4000117.3
217T40.5Very low35Very low136 Ų136138.1 Ų138.183%0.83480%0.799SS**  trans-63.4140.6175.147.40000113
218A36.6Very low34.8Very low100 Ų100137.9 Ų137.983%0.82680%0.8SS**  trans-137.6124.5160.100000110
219Q38.4Very low34.7Very low191 Ų191138.1 Ų138.189%0.89380%0.802SS**PPolyproline II helixtrans-81.7145.1173.3-62.8164.1-89.400110A221Q219-A221 PolarHBondContact O-N 3.47Å
220P38.3Very low35Very low131 Ų131135.9 Ų135.985%0.85180%0.798SS**PPolyproline II helixtrans-73.2119.7163.130.1-31.3000109.9
221A34.8Very low35.1Very low95 Ų95136.6 Ų136.679%0.78580%0.797SS**PPolyproline II helixtrans-85.3152.2170.700000111.1Q219Q219-A221 PolarHBondContact O-N 3.47Å
222P46.5Very low35.2Very low128 Ų128133.5 Ų133.583%0.83179%0.79SS**PPolyproline II helixtrans-102.6159.5-16238.6-36.4000116
223G29.2Very low35.3Very low66 Ų66135.6 Ų135.668%0.6879%0.793SS**  trans124.2152.4162.500000114.7
224W29.1Very low35Very low219 Ų219143.5 Ų143.583%0.8381%0.805SS**  cis-160.8169.9-11.3-99.1108.5000108.4
225Q36.5Very low35.1Very low179 Ų179142.7 Ų142.784%0.83681%0.805SS**  trans73.4114.6178.8-51.9172.759.900112.7
226Q35.9Very low35.1Very low177 Ų177145 Ų14583%0.82781%0.81SS**  cis67137.723.2-117.9-175.818.400113.1
227A28.8Very low35Very low67 Ų67137.9 Ų137.955%0.55480%0.803SS**  cis-140.5179.36.900000109.4
228Y33.4Very low34.5Very low235 Ų235136.6 Ų136.692%0.92281%0.807SS**  cis-142.8164.528.6-82.4-99.6000112.6
229G31.7Very low34.2Very low71 Ų71135.5 Ų135.573%0.73281%0.805SS**  trans-97.9-141177.300000113.8
230P44.3Very low33.9Very low113 Ų113135.2 Ų135.273%0.73480%0.804SS**  cis-138.2168.119.244.5-27.8000117.5
231Q35.4Very low34.1Very low186 Ų186133.6 Ų133.687%0.86979%0.794SS**  trans58134.1166.6-38.5-49.90.900119.8
232G33.9Very low33.8Very low62 Ų62136.9 Ų136.964%0.63980%0.796SS**  cis174.9170.5-6.600000115.2
233V34.3Very low33Very low137 Ų137134.6 Ų134.683%0.8380%0.796SS**  trans66.6112.7170.5-169.10000117.6V235V233-V235 HydrophobicContact CG1-CG2 4.15Å
234W29Very low32.9Very low252 Ų252134.8 Ų134.896%0.95580%0.797SS**  trans-103.5147.3156.3-67.385000109.4
235V37.9Very low33.1Very low135 Ų135135.7 Ų135.782%0.81880%0.803SS**  trans-135.4145.7162.21780000108.9V233V233-V235 HydrophobicContact CG1-CG2 4.15Å
236S30.9Very low32.9Very low119 Ų119133.3 Ų133.383%0.83280%0.8SS**  trans-93.8178.1-165-60.90000114.7
237A29.2Very low33.7Very low96 Ų96130.5 Ų130.579%0.79380%0.797SS**  trans-71.4166.6-172.300000116.5
238A30.9Very low33.7Very low110 Ų110131.9 Ų131.991%0.90980%0.802SS**  trans76.3125.6164.100000118.2
239G30.6Very low33.6Very low77 Ų77128.2 Ų128.279%0.79480%0.798SS**  trans149.6105.2171.400000114.6
240Q32.5Very low33.7Very low184 Ų184129.4 Ų129.486%0.8680%0.795SS**  trans-98.1170.6153.3-70.8-82.9-13.700107.1
241P40.8Very low33.1Very low98 Ų98129.3 Ų129.364%0.63680%0.804SS**  cis-142.5-163.59.344.5-25.4000115.4
242I28.4Very low32.9Very low164 Ų164124 Ų12484%0.84180%0.799SS**  trans77.5125.4153.3-69.1167.2000120.3
243G30.1Very low32.7Very low80 Ų80133.2 Ų133.283%0.82582%0.815SS**  trans85.5138.7148.900000117.2
244G27.9Very low32.5Very low69 Ų69129.7 Ų129.771%0.71181%0.806SS**  cis175173.1-4.900000112
245Y32.1Very low33Very low239 Ų239124.8 Ų124.894%0.93780%0.804SS**  trans6697.6173.6-76.2-85.1000120
246V32.3Very low33.8Very low128 Ų128123.9 Ų123.978%0.77680%0.801SS**  trans-81.8164136.7-570000108.5
247P53Low33.9Very low118 Ų118125.5 Ų125.577%0.76681%0.806SS**  -122.7-179.465.7322.6000112.9
248S28.7Very low34.5Very low96 Ų96129.5 Ų129.567%0.67181%0.809SS**  cis-159.6155.832-146.50000114.3
249L32.8Very low35.4Very low158 Ų158129.6 Ų129.683%0.82780%0.8SS**  trans33143.2149.5-60.7166.8000121.7
250S32.7Very low36.1Very low96 Ų96132 Ų13267%0.67180%0.801SS**  cis-177.4137.9-16.250.20000111.4
251A31.9Very low36.6Very low111 Ų111128.8 Ų128.892%0.91780%0.8SS**  trans57.9143.9159.900000119.9
252G30.1Very low37.7Very low75 Ų75129.6 Ų129.677%0.77381%0.805SS**  trans-177.4-14.6178.500000122.5
253R30.8Very low38Very low255 Ų255131.5 Ų131.596%0.96281%0.807SS**  trans32.1108160.7-172.3-169.7-168178.35.1119.4
254G30.3Very low38.5Very low64 Ų64134.4 Ų134.466%0.6680%0.804SS**  trans175.980.6162.900000120.6
255T39.1Very low38.7Very low148 Ų148136 Ų13691%0.90881%0.81SS**  trans45.4156.1137.944.90000124.6
256P55Low39.1Very low117 Ų117134 Ų13476%0.7681%0.807SS**  trans-116170.8-16643.2-33.2000116.6
257T33.4Very low39.1Very low152 Ų152136.6 Ų136.693%0.93382%0.815SS**  trans-155.2164.6161.46.60000114.3
258Q40.7Very low38.3Very low181 Ų181137 Ų13785%0.84682%0.815SS**PPolyproline II helixtrans-82.2164.2-176.3-85.5176.3-109.100115.5
259P51.3Low38.4Very low112 Ų112138.9 Ų138.973%0.72782%0.823SS**PPolyproline II helixtrans-83.7147.3163.635.3-34.1000112.9
260P44.4Very low38.8Very low126 Ų126137.4 Ų137.482%0.81882%0.821SS**PPolyproline II helixtrans-93.1162.1166.835.8-32.7000113.1
261S42.9Very low39.3Very low118 Ų118139 Ų13983%0.82583%0.829SS**PPolyproline II helixtrans-102.9166.1170.7-83.40000111.5
262P64.2Low39.4Very low115 Ų115138.6 Ų138.675%0.74783%0.825SS**PPolyproline II helixtrans-93.3161.7-158.736.5-37000114.6
263F34.1Very low39.7Very low203 Ų203138.7 Ų138.789%0.8983%0.826SS**  trans-158.4162.2131.6-121.9-84.3000111.2
264N41.2Very low39.8Very low142 Ų142131.1 Ų131.176%0.75981%0.813SS**  trans-81.9151.8-168.7-62.3-55.3000114.6
265A31.3Very low39.9Very low102 Ų102138 Ų13884%0.84383%0.825SS**  trans-133.4128155.600000109.5
266F40.1Very low39.5Very low198 Ų198135.3 Ų135.387%0.86882%0.817SS**  trans-85.8131.4174.6-76-101.4000110.3
267L32.7Very low38.6Very low181 Ų181134.1 Ų134.195%0.94882%0.817SS**  trans-142.7155.1151.5-84.8-174.4000110.6
268V35.8Very low39.4Very low127 Ų127132.4 Ų132.477%0.7781%0.809SS**  trans-103.7145.1-173.878.80000110.9
269T31Very low39.2Very low135 Ų135133.1 Ų133.183%0.82881%0.813SS**  trans-165.7157.2141.814.80000112.2
270T42.1Very low38.2Very low128 Ų128130.8 Ų130.879%0.78581%0.809SS**  trans-89.4162.2177.649.20000112.4
271P42.8Very low37.9Very low128 Ų128136 Ų13683%0.83181%0.814SS**  trans-107.4154.514435.3-29.1000111.3
272A34.9Very low38.5Very low103 Ų103135.4 Ų135.485%0.85181%0.807SS**  trans-97.6162.8-179.800000112.8
273G35.1Very low37.1Very low77 Ų77137.4 Ų137.479%0.79481%0.806SS**  trans-148.3139169.100000110.2
274S33Very low37.2Very low97 Ų97135 Ų13568%0.67880%0.798SS**  trans-135.4152.7-165.2-56.90000112.1
275F32.1Very low36.8Very low208 Ų208131.9 Ų131.991%0.91280%0.799SS**  trans63.4148.7163.295.9-97.1000117.1
276A32.5Very low37.1Very low91 Ų91136.8 Ų136.875%0.75280%0.797SS**  cis-153175.1-14.600000110.1
277A34.1Very low36.8Very low92 Ų92131.8 Ų131.876%0.7679%0.787SS**  trans-112.6172.5172.200000111.2
278P52Low37Very low117 Ų117129.7 Ų129.776%0.7678%0.782SS**  -156-176.781.941.4-20.8000117.9
279Q35.6Very low37.3Very low196 Ų196127.7 Ų127.792%0.91678%0.778SS**  trans71.8137.7168-59.2-174.4-16.200118.8
280G30.2Very low38.1Very low63 Ų63126.9 Ų126.965%0.64978%0.775SS**  cis171.1135.7-15.100000116.6
281Y38.7Very low37.8Very low235 Ų235127.4 Ų127.492%0.92277%0.769SS**  trans67.1163.7162.4-61.6-76.2000119.6
282P55.1Low37.4Very low105 Ų105129.9 Ų129.968%0.68277%0.767SS**  -142.3158.4-5939.2-22.9000116.6
283Q35.7Very low37.2Very low157 Ų157128.5 Ų128.573%0.73476%0.763SS**  168.6149.2117.7-96.2-67.53400118
284Q34.8Very low37.2Very low154 Ų154135.7 Ų135.772%0.7277%0.768SS**  trans46133.7157.1-58.4-147.620.300124.3
285G33.1Very low37Very low75 Ų75136.6 Ų136.677%0.77377%0.774SS**  trans167.4102163.100000114.1
286Y38.6Very low37.2Very low205 Ų205136.5 Ų136.580%0.80477%0.774SS**  trans-49.8132.9176.3-70.8-107000112.3
287S33.9Very low37.1Very low93 Ų93135.6 Ų135.665%0.6577%0.773SS**  66.4129.557.486.20000113.5
288T35.7Very low37.3Very low137 Ų137137.7 Ų137.784%0.8478%0.776SS**  cis-148.2172.515.951.60000113.3
289A41.5Very low37.3Very low85 Ų85137.9 Ų137.970%0.70278%0.778SS**  trans-114.2169.6166.600000111.4
290P48.7Very low37.1Very low118 Ų118137.9 Ų137.977%0.76678%0.778SS**  -142.9-176.989.644.3-29000112.3
291Q34.8Very low37.5Very low140 Ų140139.2 Ų139.265%0.65478%0.783SS**  cis79.6143.616.5-55-64.513.300116.3
292F34.4Very low37.4Very low180 Ų180135.7 Ų135.779%0.78978%0.779SS**  cis-143.9169.2-2.9-78.5-66000109.8
293G30.8Very low36.7Very low74 Ų74139.1 Ų139.176%0.76379%0.787SS**  trans173.8125.316200000119
294Y35.2Very low36.8Very low228 Ų228141.4 Ų141.489%0.89479%0.79SS**  trans-74.6177.3177.5-57.3-96.2000113.3
295S30.1Very low37.3Very low115 Ų115137.3 Ų137.380%0.80478%0.783SS**  cis-160.1-173.520-156.60000114.4
296F34.8Very low37.9Very low207 Ų207140 Ų14091%0.90879%0.787SS**  trans-73.8157-179.2-104.8-114.8000115.8
297G31.2Very low37.9Very low71 Ų71138.1 Ų138.173%0.73279%0.785SS**  trans178.5130.1161.600000115.1
298T39.6Very low38.7Very low136 Ų136140 Ų14083%0.83479%0.792SS**  trans-154.1167.2172.356.20000109.8
299P50.3Low39.8Very low122 Ų122139.2 Ų139.279%0.79279%0.79SS**  cis-121.2165.5-29.237.3-24.6000112.3
300Q32.9Very low41Very low196 Ų196140.9 Ų140.992%0.91679%0.793SS**  trans-144.3146.1156-169.6166.5-37.100109.6
301A38.5Very low41.5Very low91 Ų91140.7 Ų140.775%0.75279%0.792SS**  trans-100.2143.7-177.400000111.6
302D36.6Very low42.4Very low160 Ų160140.2 Ų140.286%0.85680%0.801SS**  trans-152.9164.8149.6-139.4-47.8000110.2
303Q39.2Very low42.9Very low178 Ų178138.2 Ų138.283%0.83280%0.804SS**  trans-95.8141-173.9-63.2-172.4-42.500112.9
304Y38.9Very low43.9Very low204 Ų204141.2 Ų141.280%0.881%0.807SS**  trans-152.1150.7145.9-142.3-101000113
305A44.2Very low44.3Very low69 Ų69136.4 Ų136.457%0.5780%0.804SS**  trans-124.2151.3-18000000110.7
306P46.1Very low44.5Very low132 Ų132134.7 Ų134.786%0.85780%0.804SS**  trans-71.3132.5-176.928.6-34.5000112.3
307Q38.9Very low44.6Very low164 Ų164131.5 Ų131.577%0.76680%0.802SS**  trans-84.6153.8177.5-71.7-167.1-66.500113.5
308V51Low44.9Very low132 Ų132132.9 Ų132.980%0.881%0.807SS**  trans-105.6149.3167.2-72.50000110.9
309P58.8Low44.8Very low122 Ų122132.1 Ų132.179%0.79280%0.802SS**PPolyproline II helixtrans-81.1150.5-178.932.4-35.4000113.6
310P65.9Low44.1Very low119 Ų119134.6 Ų134.677%0.77381%0.807SS**PPolyproline II helixtrans-90.5163-179.836.4-36.3000114.4
311P60.2Low44.1Very low115 Ų115128.4 Ų128.475%0.74780%0.797SS**PPolyproline II helixtrans-81.2162.517534.4-36.3000113.7
312P53.7Low44Very low130 Ų130134.8 Ų134.884%0.84481%0.808SS**PPolyproline II helixtrans-76.3159.8179.532.2-36.4000113.8
313T43.8Very low43.9Very low138 Ų138131.3 Ų131.385%0.84780%0.802SS**  trans-106.4153.9-176.147.20000113.6
314T52.5Low44.6Very low137 Ų137128.4 Ų128.484%0.8480%0.798SS**  trans-120.9130176.4-48.70000110.2
315P43.9Very low44.4Very low126 Ų126122.8 Ų122.882%0.81879%0.794SS**  trans-94.5146177.435.3-32.8000113.1
316G34.2Very low44.1Very low79 Ų79126.4 Ų126.481%0.81481%0.809SS**  trans159.5107.317000000113.7
317T36.9Very low43.8Very low140 Ų140126.4 Ų126.486%0.85981%0.807SS**  trans-117.5131.9-170.8-49.40000112.6
318A36.3Very low44Very low100 Ų100124.7 Ų124.783%0.82681%0.81SS**  trans-156.4160.7156.300000109.6
319T37.3Very low43.7Very low120 Ų120124.4 Ų124.474%0.73681%0.809SS**  trans-134.3-177.6-162.152.30000114.1
320L36.8Very low42.7Very low174 Ų174127.2 Ų127.291%0.91181%0.811SS**  trans85.1126.8174.7-45.5177.6000115.4
321G33.3Very low41.4Very low67 Ų67127.6 Ų127.669%0.69181%0.806SS**  cis174.7163.2-9.500000114.8
322F35.7Very low40.6Very low224 Ų224130.4 Ų130.498%0.98281%0.814SS**  trans66.9166.1170.1-76.4-92.8000119.3
323A34.7Very low40Very low88 Ų88128.9 Ų128.973%0.72781%0.807SS**  trans-146.7-170-161.300000109
324P53.4Low39.6Very low117 Ų117132.3 Ų132.376%0.7681%0.81SS**  cis-138.8178.10.843.4-25.1000117
325A35.2Very low38.7Very low85 Ų85129.9 Ų129.970%0.70280%0.804SS**  trans35.8126.914700000122.2
326T38.8Very low39.3Very low146 Ų146129.6 Ų129.690%0.89680%0.802SS**  -179.6146.5101.326.20000112.9
327T39.2Very low39.4Very low131 Ų131133.1 Ų133.180%0.80481%0.808SS**  trans-91.1152.2161.9-1.90000109
328P43.5Very low39.3Very low128 Ų128130 Ų13083%0.83180%0.804SS**  -151.1171.186.240-22000117.1
329T43.9Very low39.4Very low127 Ų127132.4 Ų132.478%0.77980%0.798SS**  trans-76.6139.1169.2-44.90000112.6
330Q38.2Very low40.2Very low181 Ų181131.7 Ų131.785%0.84680%0.795SS**  trans-151.4132.9138.8-74.9-147.4-29.700107.2
331D38.7Very low40Very low126 Ų126128.8 Ų128.867%0.67478%0.781SS**  52.4122.280.9-157.9-83.6000113.8
332L42.9Very low40.1Very low174 Ų174133.3 Ų133.391%0.91178%0.782SS**  trans-151.3117.8168.5-155.476.6000110.5
333S40.7Very low40.8Very low98 Ų98128 Ų12869%0.68577%0.77SS**  trans-123.3136.8177.552.40000111.6
334K35.3Very low40.8Very low210 Ų210133.6 Ų133.691%0.91377%0.773SS**  trans73.1171.7172.6-131.7169.9-177.2177.60116.6
335A34.2Very low40Very low86 Ų86131.3 Ų131.371%0.71176%0.76SS**  trans-155.1-165.2-161.700000109.5
336P56Low40Very low120 Ų120132.7 Ų132.778%0.77975%0.752SS**  -128.2167.2-61.135.2-21.2000113.9
337T36.2Very low40Very low154 Ų154135.2 Ų135.295%0.94575%0.747SS**  trans-155.5155.6161.635.20000108.3
338G34.8Very low39.6Very low75 Ų75133 Ų13377%0.77374%0.742SS**  cis-166.2163.2-5.900000110
339Q38.2Very low39.1Very low150 Ų150138.6 Ų138.670%0.70175%0.748SS**  trans-89.8172.5-173.1-135-154.1-37.600112.9D341Q339-D341 PolarHBondContact NE2-O 3.44Å
340P54.6Low38.7Very low105 Ų105135.9 Ų135.968%0.68275%0.745SS**  -130.8-167.56542.9-27.6000112.4
341D33.1Very low38.5Very low112 Ų112135.6 Ų135.660%0.59974%0.744SS**  cis-146.7-137.211.2-160.6-105.5000113.1Q339Q339-D341 PolarHBondContact NE2-O 3.44Å
342F35.1Very low38.2Very low163 Ų163135.3 Ų135.372%0.71574%0.742SS**  trans-137.8-175.9-156.9-70.6-64.6000112.4
343P51.1Low37.8Very low113 Ų113133.6 Ų133.673%0.73473%0.733SS**  cis-145.9168.314.445-25.7000120.8
344Y32.9Very low37.6Very low205 Ų205135.1 Ų135.180%0.80474%0.739SS**  trans58.6143.6147.9-108.1-139.9000120.5
345S38.6Very low37.5Very low68 Ų68129.6 Ų129.648%0.47673%0.732SS.*  cis-158.3141.2-3.6-126.30000110
346Q33.8Very low37.6Very low115 Ų115135.7 Ų135.754%0.53774%0.743SS.*  76.613292.2-152-175.4900112.5
347Y39.1Very low36.6Very low199 Ų199133.3 Ų133.378%0.7874%0.74SS**  cis-141.117240.3-79.6-99000116
348A31.3Very low37Very low85 Ų85135 Ų13570%0.70274%0.737SS**  trans-34.9156.7176.900000120.3
349Y32.4Very low37Very low245 Ų245137 Ų13796%0.96174%0.739SS**  cis84.9130.438.4-102.9-80.7000116.9
350G35.5Very low37.1Very low70 Ų70139.3 Ų139.372%0.72275%0.747SS**  trans113.3157.1162.600000116.2
351Q35.1Very low36Very low175 Ų175138.1 Ų138.182%0.81875%0.754SS**  cis-176.7157.1-47.6166.7170-3.700108.9
352D32.3Very low36Very low119 Ų119140.3 Ų140.364%0.63677%0.766SS**  trans77.1114.7160.2-97.9-127.9000123.3
353L34.5Very low36.7Very low138 Ų138137.5 Ų137.572%0.72376%0.764SS**  50.5139.9123.6-70.2-179.7000125.3
354T35.4Very low36Very low131 Ų131138 Ų13880%0.80477%0.77SS**  trans63.3111.4150.8510000121
355A33.9Very low36.3Very low93 Ų93137.1 Ų137.177%0.76977%0.774SS**  -168.1142.7125.700000113.4
356F35.1Very low36.9Very low215 Ų215139.2 Ų139.294%0.94379%0.786SS**  trans50.7126.6148.7-94.2-104.1000123.5
357G35.3Very low36.8Very low70 Ų70138.2 Ų138.272%0.72280%0.797SS**  113.784.3115.800000118.5
358H45.7Very low36.5Very low188 Ų188133.1 Ų133.187%0.8780%0.796SS**  trans-76.9148.8158.3-65.3-82.2000111.2
359S34.4Very low36.8Very low119 Ų119134 Ų13483%0.83280%0.796SS**  trans-151.3146.5146.3-160.10000112
360F39Very low36.9Very low198 Ų198133.1 Ų133.187%0.86879%0.793SS**  trans-106.9160.1170.8-79.3-116.5000108.8
361G33.1Very low36.8Very low80 Ų80133.5 Ų133.583%0.82580%0.798SS**  trans173.6130.9167.500000113.5
362D31.9Very low37Very low157 Ų157129.9 Ų129.984%0.8480%0.798SS**  trans-117.2-146.7179.3-170.135.6000110.4
363P51Low38Very low105 Ų105129.7 Ų129.768%0.68280%0.802SS**  -101.4160-113.336.9-26.2000115.4
364S35.8Very low38.1Very low124 Ų124129.9 Ų129.987%0.86781%0.81SS**  trans-156.2147.7152.143.20000113.5
365Q39.5Very low38.3Very low186 Ų186128 Ų12887%0.86981%0.808SS**  trans-113.8179.4173.9-89.3-159.816.700109.1
366P50.9Low38.7Very low112 Ų112132.8 Ų132.873%0.72781%0.814SS**  cis-136.1-174.15.733.1-10.7000116
367A31.2Very low39.5Very low93 Ų93128.6 Ų128.677%0.76981%0.809SS**  127.3123.6127.800000120.4
368A34Very low39.7Very low92 Ų92130 Ų13076%0.7681%0.814SS**  trans57.1109.113300000124.7
369S36.3Very low39.4Very low103 Ų103125.1 Ų125.172%0.7281%0.806SS**  68.4165117.6-149.50000122.6
370Y35.8Very low39.7Very low227 Ų227124 Ų12489%0.8980%0.803SS**  trans66.7145.7-175.6-52.2-84.1000115.2
371G32.9Very low40.6Very low79 Ų79120.4 Ų120.481%0.81480%0.8SS**  cis-175.9164.2-6.100000111.9
372A38Very low41.1Very low99 Ų99125.3 Ų125.382%0.81880%0.801SS**  trans-137.2-17617600000108.5
373P54.5Low42.2Very low114 Ų114123.5 Ų123.574%0.7480%0.798SS**  cis-136-170.7-2.244.2-27000114
374T36.2Very low41.8Very low143 Ų143123.2 Ų123.288%0.87781%0.805SS**  trans170156148.827.40000109.7
375A40.3Very low42Very low92 Ų92121.7 Ų121.776%0.7680%0.799SS**  cis-160.4157.9-28.900000109.1
376Q41.8Very low42Very low192 Ų192118 Ų11890%0.89779%0.794SS**  trans-111.1150.1173-67.4178.4-85.700111.7
377P51.8Low41.4Very low128 Ų128116.3 Ų116.383%0.83179%0.79SS**  trans-88.8159.2165.335.1-32.2000113
378A40.4Very low41.6Very low100 Ų100122.2 Ų122.283%0.82680%0.798SS**  trans-111.5-168.2179.300000110.5
379A37.9Very low41.6Very low85 Ų85121.2 Ų121.270%0.70280%0.797SS**  cis-16416212.200000113
380A42.2Very low41.7Very low94 Ų94128.9 Ų128.978%0.77781%0.81SS**  50.6169.7129.300000121.8
381P57.4Low41.8Very low123 Ų123121.6 Ų121.680%0.79980%0.804SS**  cis-133.9-175.64.642.9-25.2000117.2
382Q42.8Very low42.3Very low184 Ų184126 Ų12686%0.8680%0.804SS**  trans-127.3168.8169-58.3177.8-61.500111.2
383P56.4Low42.4Very low119 Ų119126.7 Ų126.777%0.77379%0.794SS**  trans-111.1130.214233-22.7000110.7
384A42.3Very low41.9Very low99 Ų99129.5 Ų129.582%0.81880%0.796SS**  70.213374.100000113.9
385A39Very low42.3Very low91 Ų91129.5 Ų129.575%0.75279%0.791SS**  cis-153.2-160.3-7.700000108
386S39.3Very low42.5Very low110 Ų110131.4 Ų131.477%0.76979%0.793SS**  cis-160.6134.712.9-930000108.3
387A37.9Very low42.7Very low76 Ų76131.2 Ų131.263%0.62879%0.792SS**  96.614890.600000116.8
388F35.8Very low42.2Very low216 Ų216128 Ų12895%0.94778%0.782SS**  trans69.2137.1177.9-51.3-82.7000118.3
389G35.4Very low42.3Very low72 Ų72132.4 Ų132.474%0.74278%0.783SS**  cis173138.2-14.400000117.1
390R37.9Very low43.1Very low263 Ų263136.6 Ų136.699%0.99279%0.788SS**  trans60141156.7-82.4-174.2168.7-175.7-2.5123.4
391G36.6Very low43.9Very low74 Ų74136.5 Ų136.576%0.76378%0.779SS**  trans92.7114.2159.100000114.5
392Q44.9Very low43.6Very low172 Ų172141 Ų14180%0.80478%0.782SS**  cis70.19115.9-149.6-157.768.100115.5
393N40.4Very low43.8Very low113 Ų113143.5 Ų143.560%0.60478%0.783SS**  170.3141.5110-92.5-61.3000116.8
394H43.2Very low43.6Very low173 Ų173152.9 Ų152.980%0.80180%0.803SS**  trans72138.5143.1-8070.4000124.6
395N45.6Very low43.6Very low143 Ų143155.6 Ų155.677%0.76580%0.802SS**  trans-88.9140.8171.4143.196.4000111.1
396V43.2Very low43.9Very low133 Ų133158.9 Ų158.981%0.80681%0.805SS**  trans-145.6147163.8-1600000110.2
397Q47.3Very low44.1Very low188 Ų188161.7 Ų161.788%0.87981%0.807SS**  trans-77.2148.9174-64.1166.2-30.900111.4
398G40.1Very low44.5Very low60 Ų60166.7 Ų166.762%0.61982%0.818SS**  trans-142.365-171.700000115.3H400G398-H400 PolarHBondContact O-ND1 3.43Å
399F42Very low45.1Very low192 Ų192163.6 Ų163.684%0.84281%0.809SS**  trans-56.5130.8177.7-155.3-89000112.1
400H55.3Low45.7Very low174 Ų174169.7 Ų169.781%0.80681%0.814SS**  trans-132.4113176.8-82.281000111.7G398G398-H400 PolarHBondContact O-ND1 3.43Å
401P60.2Low46.3Very low91 Ų91163.1 Ų163.159%0.59180%0.801SS**  trans-94.8-170.217738.5-34.9000112.8
402Y49.6Very low47Very low219 Ų219169.9 Ų169.986%0.85980%0.804SS**  trans75.7111.6-167.1-62.6-86.7000113
403R48.1Very low47.2Very low236 Ų236169.8 Ų169.889%0.89180%0.804SS**  cis71.394.319.8-159.3-161-167.5-171.17.5115.3
404R51.3Low47.8Very low315 Ų315174.9 Ų174.9100%1.18982%0.822SS**  -1400119.5-143.5175.9-159.8-113.12.8110.5

Retrieved 404 of 404 residues in 51.2 ms (Link to these results)