A0A087YLU2_POEFO Loading...

SEC14-like lipid binding 7

AlphaFold DB , UniProt , Accession A0A087YLU2, Species POEFO (Poecilia formosa, Amazon 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
1M87.4Confident95.3Very high135 Ų13575.2 Ų75.267%0.66544%0.44SS*.  0121.80-51.8-47.1-79.400108.5G3 D7 L8M1-G3 VanDerWaalsContact C-N 3.29Å; M1-G3 PolarHBondContact O-N 3.04Å; M1-D7 WeakPolarHBondContact CA-OD1 3.28Å; M1-D7 WeakPolarHBondContact CB-O 3.19Å; M1-D7 HydrophobicContact CE-CB 4.44Å; M1-D7 WeakPolarHBondContact CE-OD1 3.24Å; M1-L8 WeakPolarHBondContact CE-O 3.44Å
2S93.1Very high95.6Very high49 Ų4971.4 Ų71.434%0.34342%0.415SS..  trans-77.1-9.6-17364.10000114.4R4 D7S2-R4 VanDerWaalsContact C-N 3.28Å; S2-R4 PolarHBondContact OG-N 3.16Å; S2-D7 WeakPolarHBondContact CA-OD2 3.2Å; S2-D7 WeakPolarHBondContact CB-OD2 3.35Å; S2-D7 PolarHBondContact N-O 2.92Å; S2-D7 PolarHBondContact N-OD2 2.62Å; S2-D7 PolarHBondContact OG-OD2 2.98Å
3G95.3Very high95.8Very high0 Ų068.9 Ų68.90%041%0.408CS..SBendtrans74.321.8-175.100000113M1 D7 L8 R43M1-G3 VanDerWaalsContact C-N 3.29Å; M1-G3 PolarHBondContact O-N 3.04Å; G3-D7 PolarHBondContact N-O 3.26Å; G3-L8 VanDerWaalsContact C-CD2 3.44Å; G3-R43 WeakPolarHBondContact O-CD 3.31Å; G3-R43 PolarHBondContact O-NH1 3.12Å
4R95.8Very high96Very high113 Ų11372.4 Ų72.443%0.42642%0.418SS..BIsolated β-bridgetrans-104.2156.8171.8-67.5-174.9170.281.13.7110.1S2 G6 D7 L8S2-R4 VanDerWaalsContact C-N 3.28Å; S2-R4 PolarHBondContact OG-N 3.16Å; R4-G6 PolarHBondContact O-N 3.33Å; R4-D7 CarbonylContact O-C 3.58Å; R4-D7 VanDerWaalsContact O-C 3.25Å; R4-D7 WeakPolarHBondContact O-CA 3.37Å; R4-D7 PolarHBondContact O-N 2.84Å; R4-L8 VanDerWaalsContact O-CD2 3.29Å; R4-L8 WeakPolarHBondContact O-CD2 3.44Å; R4-L8 WeakPolarHBondContact O-CG 3.27Å
5A94.1Very high96.1Very high34 Ų3468.7 Ų68.728%0.28140%0.398SS..THydrogen-bonded Turntrans-57136.5176.300000110.1D7 L39A5-D7 VanDerWaalsContact C-N 3.27Å; A5-D7 PolarHBondContact O-N 2.74Å; A5-L39 HydrophobicContact CB-CD1 4.23Å
6G94.3Very high96.3Very high91 Ų9164.9 Ų64.994%0.93838%0.375SS*.THydrogen-bonded Turntrans82.5-10.3-171.700000115.4R4R4-G6 PolarHBondContact O-N 3.33Å
7D96.8Very high96.4Very high56 Ų5665.8 Ų65.830%0.29938%0.382SS..BIsolated β-bridgetrans-140.752.7-179.2-177.231.4000111M1 S2 G3 R4 A5M1-D7 WeakPolarHBondContact CA-OD1 3.28Å; M1-D7 WeakPolarHBondContact CB-O 3.19Å; M1-D7 HydrophobicContact CE-CB 4.44Å; M1-D7 WeakPolarHBondContact CE-OD1 3.24Å; S2-D7 WeakPolarHBondContact CA-OD2 3.2Å; S2-D7 WeakPolarHBondContact CB-OD2 3.35Å; S2-D7 PolarHBondContact N-O 2.92Å; S2-D7 PolarHBondContact N-OD2 2.62Å; S2-D7 PolarHBondContact OG-OD2 2.98Å; G3-D7 PolarHBondContact N-O 3.26Å; R4-D7 CarbonylContact O-C 3.58Å; R4-D7 VanDerWaalsContact O-C 3.25Å; R4-D7 WeakPolarHBondContact O-CA 3.37Å; R4-D7 PolarHBondContact O-N 2.84Å; A5-D7 VanDerWaalsContact C-N 3.27Å; A5-D7 PolarHBondContact O-N 2.74Å
8L97.8Very high96.5Very high38 Ų3865.9 Ų65.920%0.19938%0.378CS..  trans-101.1138.7174.4-58.5-175.8000111.1M1 G3 R4 Q12 A13 L16 L39M1-L8 WeakPolarHBondContact CE-O 3.44Å; G3-L8 VanDerWaalsContact C-CD2 3.44Å; R4-L8 VanDerWaalsContact O-CD2 3.29Å; R4-L8 WeakPolarHBondContact O-CD2 3.44Å; R4-L8 WeakPolarHBondContact O-CG 3.27Å; L8-Q12 HydrophobicContact CB-CB 4.18Å; L8-Q12 HydrophobicContact CD2-CB 4.23Å; L8-A13 HydrophobicContact CB-CB 4.39Å; L8-A13 HydrophobicContact CD1-CB 4.37Å; L8-L16 HydrophobicContact CD1-CD2 4.05Å; L8-L39 HydrophobicContact CD1-CD1 4.37Å; L8-L39 HydrophobicContact CD1-CD2 4.33Å; L8-L39 HydrophobicContact CD2-CD1 4.07Å; L8-L39 HydrophobicContact CD2-CD2 3.82Å
9S98.1Very high96.6Very high32 Ų3262.4 Ų62.422%0.22436%0.358CS..  trans-71.6161163.275.10000110.8K11 Q12 A13S9-K11 PolarHBondContact O-N 3.44Å; S9-Q12 PolarHBondContact O-N 3.01Å; S9-Q12 WeakPolarHBondContact OG-CG 3.26Å; S9-Q12 PolarHBondContact OG-N 3.42Å; S9-Q12 PolarHBondContact OG-OE1 3.29Å; S9-A13 PolarHBondContact O-N 2.68Å
10P98.2Very high96.7Very high119 Ų11963 Ų6377%0.77335%0.354SS*.Hα-helixtrans-53.5-39.9175.8-28.235.7000113.1A13 Q14P10-A13 PolarHBondContact O-N 3.1Å; P10-Q14 PolarHBondContact O-N 2.93Å
11K97.9Very high96.8Very high160 Ų16066.1 Ų66.170%0.69637%0.366SS*.Hα-helixtrans-64.9-42.7176.3-175175-179.1177.20112.3S9 Q14 T15S9-K11 PolarHBondContact O-N 3.44Å; K11-Q14 PolarHBondContact O-N 3.17Å; K11-T15 WeakPolarHBondContact O-CB 3.35Å; K11-T15 PolarHBondContact O-N 3.44Å; K11-T15 PolarHBondContact O-OG1 2.64Å
12Q98.3Very high97.3Very high30 Ų3064.8 Ų64.814%0.1435%0.354CS..Hα-helixtrans-65.7-40.7177.7-73.5171.5-37.600111.7L8 S9 T15 L16 F47L8-Q12 HydrophobicContact CB-CB 4.18Å; L8-Q12 HydrophobicContact CD2-CB 4.23Å; S9-Q12 PolarHBondContact O-N 3.01Å; S9-Q12 WeakPolarHBondContact OG-CG 3.26Å; S9-Q12 PolarHBondContact OG-N 3.42Å; S9-Q12 PolarHBondContact OG-OE1 3.29Å; Q12-T15 PolarHBondContact O-N 3.15Å; Q12-L16 PolarHBondContact O-N 3.1Å; Q12-F47 HydrophobicContact CB-CD1 4.1Å; Q12-F47 HydrophobicContact CB-CE1 3.65Å; Q12-F47 HydrophobicContact CB-CZ 4.07Å; Q12-F47 HydrophobicContact CG-CD1 3.88Å; Q12-F47 HydrophobicContact CG-CD2 4.28Å; Q12-F47 HydrophobicContact CG-CE1 3.65Å; Q12-F47 HydrophobicContact CG-CE2 4.08Å; Q12-F47 HydrophobicContact CG-CG 4.19Å; Q12-F47 HydrophobicContact CG-CZ 3.77Å
13A98.3Very high97.6Very high39 Ų3962.5 Ų62.532%0.32234%0.338SS..Hα-helixtrans-62.6-45.7175.700000111.5L8 S9 P10 T15 L16 T17L8-A13 HydrophobicContact CB-CB 4.39Å; L8-A13 HydrophobicContact CD1-CB 4.37Å; S9-A13 PolarHBondContact O-N 2.68Å; P10-A13 PolarHBondContact O-N 3.1Å; A13-T15 PolarHBondContact O-N 2.54Å; A13-L16 WeakPolarHBondContact O-CB 3.41Å; A13-L16 PolarHBondContact O-N 3.25Å; A13-T17 PolarHBondContact O-N 2.74Å; A13-T17 VanDerWaalsContact O-N 3.12Å; A13-T17 PolarHBondContact O-OG1 3.44Å
14Q98.3Very high97.7Very high117 Ų11769.2 Ų69.255%0.54737%0.369SS..Hα-helixtrans-59.5-46.2173.9-177.4-175.5-300111.8P10 K11 L16 T17 E18P10-Q14 PolarHBondContact O-N 2.93Å; K11-Q14 PolarHBondContact O-N 3.17Å; Q14-L16 VanDerWaalsContact C-N 3.27Å; Q14-L16 PolarHBondContact O-N 2.6Å; Q14-T17 WeakPolarHBondContact O-CB 3.49Å; Q14-T17 PolarHBondContact O-N 2.96Å; Q14-T17 VanDerWaalsContact O-N 3.15Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.28Å; Q14-E18 PolarHBondContact NE2-OE1 3.36Å; Q14-E18 PolarHBondContact O-N 3.34Å
15T98.5Very high97.8Very high18 Ų1868.8 Ų68.811%0.1138%0.375CS..Hα-helixtrans-61.8-35.6178.6-57.80000111.8K11 Q12 A13 F19 L42 F47 L49K11-T15 WeakPolarHBondContact O-CB 3.35Å; K11-T15 PolarHBondContact O-N 3.44Å; K11-T15 PolarHBondContact O-OG1 2.64Å; Q12-T15 PolarHBondContact O-N 3.15Å; A13-T15 PolarHBondContact O-N 2.54Å; T15-F19 WeakPolarHBondContact O-CB 3.31Å; T15-F19 PolarHBondContact O-N 3.27Å; T15-L42 HydrophobicContact CG2-CD2 3.9Å; T15-F47 HydrophobicContact CG2-CB 4.36Å; T15-F47 HydrophobicContact CG2-CD1 4.2Å; T15-L49 HydrophobicContact CG2-CD1 4.25Å
16L98.6Very high97.9Very high8 Ų868 Ų684%0.04237%0.367CS..Hα-helixtrans-64.8-41.9175175.962.8000112.1L8 Q12 A13 Q14 F19 R20 D35 L38 L39 L42L8-L16 HydrophobicContact CD1-CD2 4.05Å; Q12-L16 PolarHBondContact O-N 3.1Å; A13-L16 WeakPolarHBondContact O-CB 3.41Å; A13-L16 PolarHBondContact O-N 3.25Å; Q14-L16 VanDerWaalsContact C-N 3.27Å; Q14-L16 PolarHBondContact O-N 2.6Å; L16-F19 PolarHBondContact O-N 2.84Å; L16-R20 WeakPolarHBondContact O-CB 3.35Å; L16-R20 PolarHBondContact O-N 2.83Å; L16-D35 HydrophobicContact CD2-CB 4.06Å; L16-L38 HydrophobicContact CD1-CB 3.83Å; L16-L38 HydrophobicContact CD1-CD1 4.36Å; L16-L39 HydrophobicContact CD1-CD2 4.23Å; L16-L39 HydrophobicContact CD1-CG 4.26Å; L16-L39 HydrophobicContact CD2-CD1 4.44Å; L16-L39 HydrophobicContact CD2-CD2 4.09Å; L16-L39 HydrophobicContact CD2-CG 4.16Å; L16-L42 HydrophobicContact CB-CD1 4.13Å; L16-L42 HydrophobicContact CD1-CD1 3.85Å
17T98.3Very high98Very high80 Ų8064.5 Ų64.549%0.49133%0.327SS..Hα-helixtrans-60.8-52.6174.5-570000111A13 Q14 F19 R20 E21A13-T17 PolarHBondContact O-N 2.74Å; A13-T17 VanDerWaalsContact O-N 3.12Å; A13-T17 PolarHBondContact O-OG1 3.44Å; Q14-T17 WeakPolarHBondContact O-CB 3.49Å; Q14-T17 PolarHBondContact O-N 2.96Å; Q14-T17 VanDerWaalsContact O-N 3.15Å; T17-F19 VanDerWaalsContact C-N 3.26Å; T17-F19 PolarHBondContact O-N 3Å; T17-R20 WeakPolarHBondContact O-CB 3.2Å; T17-R20 PolarHBondContact O-N 3.38Å; T17-R20 VanDerWaalsContact O-N 3.15Å; T17-E21 PolarHBondContact O-N 2.87Å
18E98.5Very high98Very high67 Ų6766.7 Ų66.731%0.31334%0.344SS..Hα-helixtrans-60.1-37.7178.3-69.1176.2-157.200111.9Q14 E21 R22 L49Q14-E18 WeakPolarHBondContact CG-OE1 3.28Å; Q14-E18 PolarHBondContact NE2-OE1 3.36Å; Q14-E18 PolarHBondContact O-N 3.34Å; E18-E21 PolarHBondContact O-N 3.49Å; E18-R22 WeakPolarHBondContact O-CG 3.32Å; E18-R22 PolarHBondContact O-N 2.97Å; E18-L49 HydrophobicContact CB-CD1 4.46Å; E18-L49 HydrophobicContact CB-CD2 4Å
19F98.6Very high97.9Very high0 Ų068 Ų680%036%0.356CS..Hα-helixtrans-62.9-46.3176.5-178.2-122.7000111.6T15 L16 T17 E21 R22 I23 L38 W41 L42 L49 E53 I56T15-F19 WeakPolarHBondContact O-CB 3.31Å; T15-F19 PolarHBondContact O-N 3.27Å; L16-F19 PolarHBondContact O-N 2.84Å; T17-F19 VanDerWaalsContact C-N 3.26Å; T17-F19 PolarHBondContact O-N 3Å; F19-E21 VanDerWaalsContact C-N 3.32Å; F19-E21 PolarHBondContact O-N 3.03Å; F19-R22 PolarHBondContact O-N 3.38Å; F19-I23 HydrophobicContact CD1-CD1 4.22Å; F19-I23 HydrophobicContact CD2-CG2 4.3Å; F19-I23 HydrophobicContact CE1-CD1 3.85Å; F19-I23 HydrophobicContact CE2-CD1 4.43Å; F19-I23 HydrophobicContact CE2-CG2 3.95Å; F19-I23 HydrophobicContact CZ-CD1 3.97Å; F19-I23 HydrophobicContact CZ-CG2 4.41Å; F19-I23 WeakPolarHBondContact O-CG1 3.38Å; F19-I23 PolarHBondContact O-N 3Å; F19-L38 HydrophobicContact CD1-CB 4.32Å; F19-L38 HydrophobicContact CE1-CB 4.22Å; F19-L38 HydrophobicContact CE1-CD2 4.2Å; F19-W41 HydrophobicContact CE1-CB 4.23Å; F19-W41 HydrophobicContact CZ-CB 4Å; F19-L42 HydrophobicContact CB-CD1 4.24Å; F19-L42 HydrophobicContact CB-CD2 4.12Å; F19-L42 HydrophobicContact CD1-CD1 3.97Å; F19-L42 HydrophobicContact CD1-CD2 4.24Å; F19-L42 HydrophobicContact CD1-CG 3.94Å; F19-L42 HydrophobicContact CD2-CD2 4.29Å; F19-L42 HydrophobicContact CE1-CG 4.32Å; F19-L42 HydrophobicContact CG-CD1 4.3Å; F19-L42 HydrophobicContact CG-CD2 3.97Å; F19-L42 HydrophobicContact CG-CG 4.19Å; F19-L49 VanDerWaalsContact CA-CD1 3.49Å; F19-L49 HydrophobicContact CB-CD1 3.56Å; F19-L49 HydrophobicContact CD2-CD1 3.95Å; F19-L49 HydrophobicContact CG-CD1 4.23Å; F19-E53 HydrophobicContact CE2-CB 4.31Å; F19-I56 HydrophobicContact CE1-CD1 4.39Å; F19-I56 HydrophobicContact CE2-CG2 4.14Å; F19-I56 HydrophobicContact CZ-CB 4.29Å; F19-I56 HydrophobicContact CZ-CD1 4.08Å; F19-I56 HydrophobicContact CZ-CG2 3.83Å
20R98.4Very high97.8Very high73 Ų7367.1 Ų67.128%0.27535%0.349SS..Hα-helixtrans-60.8-40.8178.3-174.1-177.7-71.3-79.93.7111.8L16 T17 Q24 L27 Q33 D35 L38L16-R20 WeakPolarHBondContact O-CB 3.35Å; L16-R20 PolarHBondContact O-N 2.83Å; T17-R20 WeakPolarHBondContact O-CB 3.2Å; T17-R20 PolarHBondContact O-N 3.38Å; T17-R20 VanDerWaalsContact O-N 3.15Å; R20-Q24 PolarHBondContact O-N 3.45Å; R20-L27 HydrophobicContact CG-CD1 4.08Å; R20-Q33 PolarHBondContact NH1-O 2.9Å; R20-Q33 PolarHBondContact NH2-O 3.42Å; R20-D35 IonicContact CZ-OD1 3.6Å; R20-D35 IonicContact NH2-OD1 3.67Å; R20-D35 PolarHBondContact NH2-OD1 2.83Å; R20-L38 HydrophobicContact CB-CD1 4.35Å; R20-L38 HydrophobicContact CG-CD1 4.34Å; R20-L38 VanDerWaalsContact CZ-CD1 3.43Å
21E98.1Very high97.6Very high130 Ų13064.4 Ų64.461%0.60733%0.331SS*.Hα-helixtrans-63-46.4175.7-70.6173.4-178.900111.8T17 E18 F19 I23 Q24T17-E21 PolarHBondContact O-N 2.87Å; E18-E21 PolarHBondContact O-N 3.49Å; F19-E21 VanDerWaalsContact C-N 3.32Å; F19-E21 PolarHBondContact O-N 3.03Å; E21-I23 VanDerWaalsContact C-N 3.27Å; E21-I23 PolarHBondContact O-N 3.13Å; E21-Q24 WeakPolarHBondContact O-CB 3.48Å; E21-Q24 PolarHBondContact O-N 3.11Å
22R98.4Very high97.4Very high107 Ų10757.8 Ų57.840%0.40431%0.307SS..Hα-helixtrans-64.5-28.1-178.2-75.2-177.5176-148.22.8114.7E18 F19 L49 E53 R57E18-R22 WeakPolarHBondContact O-CG 3.32Å; E18-R22 PolarHBondContact O-N 2.97Å; F19-R22 PolarHBondContact O-N 3.38Å; R22-L49 VanDerWaalsContact NE-CD2 3.29Å; R22-E53 WeakPolarHBondContact CD-OE2 3.47Å; R22-E53 IonicContact NH1-OE2 3.07Å; R22-E53 PolarHBondContact NH1-OE2 2.95Å; R22-R57 PolarHBondContact O-NH2 3.1Å
23I98.1Very high97.2Very high0 Ų060.8 Ų60.80%032%0.321CS..THydrogen-bonded Turntrans-104.511.9-177.270.6176.6000112.6F19 E21 D25 V26 L27 L30 L38 E53 I56F19-I23 HydrophobicContact CD1-CD1 4.22Å; F19-I23 HydrophobicContact CD2-CG2 4.3Å; F19-I23 HydrophobicContact CE1-CD1 3.85Å; F19-I23 HydrophobicContact CE2-CD1 4.43Å; F19-I23 HydrophobicContact CE2-CG2 3.95Å; F19-I23 HydrophobicContact CZ-CD1 3.97Å; F19-I23 HydrophobicContact CZ-CG2 4.41Å; F19-I23 WeakPolarHBondContact O-CG1 3.38Å; F19-I23 PolarHBondContact O-N 3Å; E21-I23 VanDerWaalsContact C-N 3.27Å; E21-I23 PolarHBondContact O-N 3.13Å; I23-D25 PolarHBondContact O-N 3.17Å; I23-D25 VanDerWaalsContact O-N 3.1Å; I23-V26 HydrophobicContact CB-CG2 3.78Å; I23-V26 VanDerWaalsContact O-CG2 3.26Å; I23-V26 WeakPolarHBondContact O-CG2 3.32Å; I23-V26 PolarHBondContact O-N 3.28Å; I23-L27 HydrophobicContact CD1-CD2 3.7Å; I23-L27 HydrophobicContact CG1-CD2 3.76Å; I23-L27 HydrophobicContact CG1-CG 4.06Å; I23-L27 PolarHBondContact O-N 2.96Å; I23-L30 HydrophobicContact CD1-CD1 4.39Å; I23-L38 HydrophobicContact CD1-CD2 3.77Å; I23-E53 HydrophobicContact CG2-CG 4.08Å; I23-I56 HydrophobicContact CD1-CD1 4.03Å; I23-I56 HydrophobicContact CG2-CG2 3.92Å
24Q97.8Very high97.1Very high141 Ų14163.6 Ų63.666%0.65933%0.327SS*.THydrogen-bonded Turntrans-53.8-35-174.2-173.2-179.57.900112.6R20 E21 V26R20-Q24 PolarHBondContact O-N 3.45Å; E21-Q24 WeakPolarHBondContact O-CB 3.48Å; E21-Q24 PolarHBondContact O-N 3.11Å; Q24-V26 VanDerWaalsContact C-N 3.31Å; Q24-V26 PolarHBondContact O-N 2.88Å
25D98.1Very high97Very high105 Ų10561.1 Ų61.156%0.56132%0.317SS*.THydrogen-bonded Turntrans-65.3-29.4177.663.6-54.9000113.6I23 R57I23-D25 PolarHBondContact O-N 3.17Å; I23-D25 VanDerWaalsContact O-N 3.1Å; D25-R57 IonicContact OD1-CZ 2.71Å; D25-R57 IonicContact OD1-NH1 3.33Å; D25-R57 PolarHBondContact OD1-NH1 3.21Å; D25-R57 IonicContact OD1-NH2 3.83Å; D25-R57 PolarHBondContact OD1-NH2 2.73Å; D25-R57 IonicContact OD2-CZ 3.64Å; D25-R57 IonicContact OD2-NH1 3.85Å; D25-R57 PolarHBondContact OD2-NH1 2.77Å; D25-R57 IonicContact OD2-NH2 4Å
26V97.6Very high96.9Very high18 Ų1863 Ų6311%0.10932%0.324CS..THydrogen-bonded Turntrans-104.7-9.6-179.7-62.20000114.3I23 Q24 P28 S29 V60I23-V26 HydrophobicContact CB-CG2 3.78Å; I23-V26 VanDerWaalsContact O-CG2 3.26Å; I23-V26 WeakPolarHBondContact O-CG2 3.32Å; I23-V26 PolarHBondContact O-N 3.28Å; Q24-V26 VanDerWaalsContact C-N 3.31Å; Q24-V26 PolarHBondContact O-N 2.88Å; V26-P28 VanDerWaalsContact C-CD 3.4Å; V26-P28 VanDerWaalsContact C-N 3.32Å; V26-S29 WeakPolarHBondContact O-CB 3.26Å; V26-S29 PolarHBondContact O-N 2.91Å; V26-V60 HydrophobicContact CB-CG2 4.16Å; V26-V60 HydrophobicContact CG2-CG2 4.48Å
27L96Very high96.8Very high17 Ų1763.1 Ų63.19%0.08933%0.325CS..G310 helixtrans-49.8-42.3177.8-75.2179.6000114.1R20 I23 S29 L30 Q33 L38R20-L27 HydrophobicContact CG-CD1 4.08Å; I23-L27 HydrophobicContact CD1-CD2 3.7Å; I23-L27 HydrophobicContact CG1-CD2 3.76Å; I23-L27 HydrophobicContact CG1-CG 4.06Å; I23-L27 PolarHBondContact O-N 2.96Å; L27-S29 PolarHBondContact O-N 3.38Å; L27-L30 HydrophobicContact CD2-CD1 3.94Å; L27-L30 PolarHBondContact O-N 3.28Å; L27-Q33 HydrophobicContact CB-CG 4.49Å; L27-Q33 PolarHBondContact O-NE2 2.97Å; L27-Q33 VanDerWaalsContact O-NE2 3.11Å; L27-L38 HydrophobicContact CD2-CD2 4.27Å
28P96.6Very high96.8Very high101 Ų10159.3 Ų59.366%0.65630%0.301SS*.G310 helixtrans-65.1-19179-22.835.5000114.3V26V26-P28 VanDerWaalsContact C-CD 3.4Å; V26-P28 VanDerWaalsContact C-N 3.32Å
29S95.4Very high96.8Very high66 Ų6656.1 Ų56.146%0.46229%0.286SS..G310 helixtrans-93-0.8179.6-56.20000113.1V26 L27V26-S29 WeakPolarHBondContact O-CB 3.26Å; V26-S29 PolarHBondContact O-N 2.91Å; L27-S29 PolarHBondContact O-N 3.38Å
30L96.2Very high96.7Very high14 Ų1456.8 Ų56.87%0.07329%0.289CS..SBendtrans-90.2148.8178.8-64.5173.1000111I23 L27 A32 Y37 L38 I56 V60I23-L30 HydrophobicContact CD1-CD1 4.39Å; L27-L30 HydrophobicContact CD2-CD1 3.94Å; L27-L30 PolarHBondContact O-N 3.28Å; L30-A32 PolarHBondContact O-N 3.29Å; L30-Y37 HydrophobicContact CB-CE1 4.18Å; L30-Y37 HydrophobicContact CD1-CE1 4.14Å; L30-Y37 HydrophobicContact CD2-CE1 4.2Å; L30-Y37 HydrophobicContact CG-CE1 4.41Å; L30-L38 HydrophobicContact CD1-CD2 4.32Å; L30-I56 HydrophobicContact CD1-CD1 3.68Å; L30-I56 HydrophobicContact CD1-CG1 4.39Å; L30-I56 HydrophobicContact CD2-CD1 4.02Å; L30-I56 HydrophobicContact CD2-CG1 3.89Å; L30-V60 HydrophobicContact CD2-CG2 3.59Å; L30-V60 HydrophobicContact CG-CG2 4.41Å
31P93.1Very high96.7Very high62 Ų6253.3 Ų53.340%0.40328%0.276SS..SBendtrans-67.3-20.2178.628.8-37.3000113.4Y37P31-Y37 VanDerWaalsContact CD-OH 3.26Å; P31-Y37 WeakPolarHBondContact CD-OH 3.32Å; P31-Y37 HydrophobicContact CG-CD2 4.42Å; P31-Y37 HydrophobicContact CG-CE2 3.46Å; P31-Y37 VanDerWaalsContact CG-CE2 3.46Å; P31-Y37 WeakPolarHBondContact CG-OH 3.49Å
32A94Very high96.7Very high21 Ų2147.1 Ų47.117%0.17425%0.247CC..  trans-155.8151.717600000111.3L30 Y37L30-A32 PolarHBondContact O-N 3.29Å; A32-Y37 HydrophobicContact CB-CD2 3.91Å; A32-Y37 HydrophobicContact CB-CG 3.86Å; A32-Y37 WeakPolarHBondContact O-CD1 3.43Å
33Q94.9Very high96.6Very high93 Ų9343 Ų4344%0.43523%0.231SC..  trans-120-0.8-178.4-58.7178.417.600113.2R20 L27R20-Q33 PolarHBondContact NH1-O 2.9Å; R20-Q33 PolarHBondContact NH2-O 3.42Å; L27-Q33 HydrophobicContact CB-CG 4.49Å; L27-Q33 PolarHBondContact O-NE2 2.97Å; L27-Q33 VanDerWaalsContact O-NE2 3.11Å
34H94.8Very high96.5Very high97 Ų9744.3 Ų44.345%0.44924%0.242SC..SBendtrans-71.8158.3178.159.768000111.7H36 Y37 L38H34-H36 VanDerWaalsContact C-N 3.31Å; H34-H36 WeakPolarHBondContact ND1-CB 3.3Å; H34-H36 PolarHBondContact O-N 2.87Å; H34-Y37 PolarHBondContact CE1-N 3.13Å; H34-Y37 PolarHBondContact ND1-N 2.65Å; H34-Y37 WeakPolarHBondContact O-CB 3.34Å; H34-Y37 PolarHBondContact O-N 3Å; H34-L38 PolarHBondContact O-N 3.42Å
35D97.3Very high96.5Very high66 Ų6641.3 Ų41.335%0.35322%0.224SC..Hα-helixtrans-57.9-39.2-172.7-70.7-5.2000113.3L16 R20 Y37 L38 L39L16-D35 HydrophobicContact CD2-CB 4.06Å; R20-D35 IonicContact CZ-OD1 3.6Å; R20-D35 IonicContact NH2-OD1 3.67Å; R20-D35 PolarHBondContact NH2-OD1 2.83Å; D35-Y37 PolarHBondContact O-N 3.03Å; D35-L38 PolarHBondContact O-N 2.73Å; D35-L39 HydrophobicContact CB-CD1 4.26Å; D35-L39 VanDerWaalsContact O-CB 3.26Å; D35-L39 WeakPolarHBondContact O-CB 3.35Å; D35-L39 WeakPolarHBondContact O-CD1 3.44Å; D35-L39 WeakPolarHBondContact O-CG 3.29Å; D35-L39 PolarHBondContact O-N 2.84Å
36H96Very high96.4Very high56 Ų5643.5 Ų43.526%0.25924%0.236SC..Hα-helixtrans-53.4-41.8175.9-66.9-77.9000112.3H34 R40 N146 E148H34-H36 VanDerWaalsContact C-N 3.31Å; H34-H36 WeakPolarHBondContact ND1-CB 3.3Å; H34-H36 PolarHBondContact O-N 2.87Å; H36-R40 WeakPolarHBondContact O-CG 3.2Å; H36-N146 VanDerWaalsContact CG-CG 3.47Å; H36-N146 VanDerWaalsContact ND1-CG 3.34Å; H36-N146 PolarHBondContact ND1-ND2 2.97Å; H36-N146 VanDerWaalsContact ND1-ND2 3.13Å; H36-E148 IonicContact ND1-OE2 2.99Å
37Y96.8Very high96.4Very high12 Ų1244.4 Ų44.45%0.04724%0.239CC..Hα-helixtrans-68.9-48.1-179.9-178.7-91.3000111.5L30 P31 A32 H34 D35 R40 W41 I56 H59L30-Y37 HydrophobicContact CB-CE1 4.18Å; L30-Y37 HydrophobicContact CD1-CE1 4.14Å; L30-Y37 HydrophobicContact CD2-CE1 4.2Å; L30-Y37 HydrophobicContact CG-CE1 4.41Å; P31-Y37 VanDerWaalsContact CD-OH 3.26Å; P31-Y37 WeakPolarHBondContact CD-OH 3.32Å; P31-Y37 HydrophobicContact CG-CD2 4.42Å; P31-Y37 HydrophobicContact CG-CE2 3.46Å; P31-Y37 VanDerWaalsContact CG-CE2 3.46Å; P31-Y37 WeakPolarHBondContact CG-OH 3.49Å; A32-Y37 HydrophobicContact CB-CD2 3.91Å; A32-Y37 HydrophobicContact CB-CG 3.86Å; A32-Y37 WeakPolarHBondContact O-CD1 3.43Å; H34-Y37 PolarHBondContact CE1-N 3.13Å; H34-Y37 PolarHBondContact ND1-N 2.65Å; H34-Y37 WeakPolarHBondContact O-CB 3.34Å; H34-Y37 PolarHBondContact O-N 3Å; D35-Y37 PolarHBondContact O-N 3.03Å; Y37-R40 PolarHBondContact O-N 2.94Å; Y37-W41 AromaticContact CD1-NE1 3.76Å; Y37-W41 HydrophobicContact CE1-CZ2 4.4Å; Y37-W41 AromaticContact CE1-NE1 3.27Å; Y37-W41 VanDerWaalsContact CE1-NE1 3.27Å; Y37-W41 AromaticContact CZ-CZ2 3.96Å; Y37-W41 AromaticContact CZ-NE1 3.61Å; Y37-W41 PolarHBondContact O-NE1 3.19Å; Y37-W41 WeakPolarHBondContact OH-CZ2 3.46Å; Y37-I56 HydrophobicContact CE1-CD1 4.33Å; Y37-H59 PolarHBondContact OH-NE2 3.01Å
38L98.1Very high96.5Very high0 Ų046.8 Ų46.80%025%0.252CS..Hα-helixtrans-67.2-37.6-177.6-64.6-174.6000112.6L16 F19 R20 I23 L27 L30 H34 D35 R40 W41 L42 I56L16-L38 HydrophobicContact CD1-CB 3.83Å; L16-L38 HydrophobicContact CD1-CD1 4.36Å; F19-L38 HydrophobicContact CD1-CB 4.32Å; F19-L38 HydrophobicContact CE1-CB 4.22Å; F19-L38 HydrophobicContact CE1-CD2 4.2Å; R20-L38 HydrophobicContact CB-CD1 4.35Å; R20-L38 HydrophobicContact CG-CD1 4.34Å; R20-L38 VanDerWaalsContact CZ-CD1 3.43Å; I23-L38 HydrophobicContact CD1-CD2 3.77Å; L27-L38 HydrophobicContact CD2-CD2 4.27Å; L30-L38 HydrophobicContact CD1-CD2 4.32Å; H34-L38 PolarHBondContact O-N 3.42Å; D35-L38 PolarHBondContact O-N 2.73Å; L38-R40 PolarHBondContact O-N 3.2Å; L38-W41 PolarHBondContact O-N 2.93Å; L38-L42 PolarHBondContact O-N 3.49Å; L38-I56 HydrophobicContact CD2-CD1 4.21Å
39L98.2Very high96.5Very high0 Ų043.1 Ų43.10%023%0.226CC..Hα-helixtrans-64-24.2179.7-75.4168.1000113A5 L8 L16 D35 W41 L42 R43 F47A5-L39 HydrophobicContact CB-CD1 4.23Å; L8-L39 HydrophobicContact CD1-CD1 4.37Å; L8-L39 HydrophobicContact CD1-CD2 4.33Å; L8-L39 HydrophobicContact CD2-CD1 4.07Å; L8-L39 HydrophobicContact CD2-CD2 3.82Å; L16-L39 HydrophobicContact CD1-CD2 4.23Å; L16-L39 HydrophobicContact CD1-CG 4.26Å; L16-L39 HydrophobicContact CD2-CD1 4.44Å; L16-L39 HydrophobicContact CD2-CD2 4.09Å; L16-L39 HydrophobicContact CD2-CG 4.16Å; D35-L39 HydrophobicContact CB-CD1 4.26Å; D35-L39 VanDerWaalsContact O-CB 3.26Å; D35-L39 WeakPolarHBondContact O-CB 3.35Å; D35-L39 WeakPolarHBondContact O-CD1 3.44Å; D35-L39 WeakPolarHBondContact O-CG 3.29Å; D35-L39 PolarHBondContact O-N 2.84Å; L39-W41 VanDerWaalsContact C-N 3.34Å; L39-W41 PolarHBondContact O-N 3.36Å; L39-L42 HydrophobicContact CD2-CD1 4.18Å; L39-L42 PolarHBondContact O-N 2.97Å; L39-R43 WeakPolarHBondContact O-CB 3.32Å; L39-R43 WeakPolarHBondContact O-CG 3.25Å; L39-R43 PolarHBondContact O-N 2.98Å; L39-F47 HydrophobicContact CD2-CE1 3.93Å; L39-F47 HydrophobicContact CD2-CZ 4.02Å
40R97.1Very high96.7Very high13 Ų1344.4 Ų44.45%0.04923%0.225CC..Hα-helixtrans-60.8-44.2174.6-66.9-170-59.2151-4.5112H36 Y37 L38 R43 A44 P184 E185H36-R40 WeakPolarHBondContact O-CG 3.2Å; Y37-R40 PolarHBondContact O-N 2.94Å; L38-R40 PolarHBondContact O-N 3.2Å; R40-R43 PolarHBondContact O-N 2.85Å; R40-A44 VanDerWaalsContact O-CB 3.3Å; R40-A44 WeakPolarHBondContact O-CB 3.46Å; R40-A44 PolarHBondContact O-N 3.06Å; R40-P184 PolarHBondContact NH1-O 2.89Å; R40-E185 HydrophobicContact CB-CB 3.94Å; R40-E185 HydrophobicContact CB-CG 4.32Å; R40-E185 HydrophobicContact CG-CB 3.88Å
41W98.2Very high96.8Very high0 Ų049.8 Ų49.80%025%0.248CC..Hα-helixtrans-66-41.1179.1-53.192.4000111.5F19 Y37 L38 L39 R45 S52 M55 I56 H59 P184F19-W41 HydrophobicContact CE1-CB 4.23Å; F19-W41 HydrophobicContact CZ-CB 4Å; Y37-W41 AromaticContact CD1-NE1 3.76Å; Y37-W41 HydrophobicContact CE1-CZ2 4.4Å; Y37-W41 AromaticContact CE1-NE1 3.27Å; Y37-W41 VanDerWaalsContact CE1-NE1 3.27Å; Y37-W41 AromaticContact CZ-CZ2 3.96Å; Y37-W41 AromaticContact CZ-NE1 3.61Å; Y37-W41 PolarHBondContact O-NE1 3.19Å; Y37-W41 WeakPolarHBondContact OH-CZ2 3.46Å; L38-W41 PolarHBondContact O-N 2.93Å; L39-W41 VanDerWaalsContact C-N 3.34Å; L39-W41 PolarHBondContact O-N 3.36Å; W41-R45 PolarHBondContact O-N 3.04Å; W41-S52 PolarHBondContact O-OG 3.17Å; W41-M55 HydrophobicContact CE3-CB 4.39Å; W41-M55 HydrophobicContact CE3-CE 4.36Å; W41-M55 HydrophobicContact CE3-CG 3.83Å; W41-M55 HydrophobicContact CE3-SD 3.94Å; W41-M55 HydrophobicContact CZ3-CE 4.17Å; W41-M55 HydrophobicContact CZ3-CG 3.92Å; W41-M55 HydrophobicContact CZ3-SD 4.27Å; W41-I56 HydrophobicContact CD2-CB 3.89Å; W41-I56 HydrophobicContact CD2-CD1 3.91Å; W41-I56 HydrophobicContact CD2-CG1 3.72Å; W41-I56 HydrophobicContact CE3-CB 3.94Å; W41-I56 HydrophobicContact CE3-CG1 4.12Å; W41-I56 HydrophobicContact CG-CB 4.2Å; W41-I56 HydrophobicContact CG-CD1 3.77Å; W41-I56 HydrophobicContact CG-CG1 4.09Å; W41-I56 HydrophobicContact CZ2-CG1 4.19Å; W41-H59 HydrophobicContact CH2-CB 3.46Å; W41-H59 VanDerWaalsContact CH2-CB 3.46Å; W41-H59 AromaticContact CH2-CD2 3.43Å; W41-H59 VanDerWaalsContact CH2-CD2 3.43Å; W41-H59 WeakPolarHBondContact CH2-CD2 3.36Å; W41-H59 AromaticContact CH2-CG 3.27Å; W41-H59 AromaticContact CH2-ND1 3.77Å; W41-H59 AromaticContact CH2-NE2 3.98Å; W41-H59 HydrophobicContact CZ2-CB 4.33Å; W41-H59 AromaticContact CZ2-CD2 3.54Å; W41-H59 AromaticContact CZ2-CG 3.9Å; W41-H59 AromaticContact CZ2-NE2 3.96Å; W41-H59 HydrophobicContact CZ3-CB 3.76Å; W41-P184 HydrophobicContact CD2-CG 3.93Å; W41-P184 HydrophobicContact CE3-CG 3.63Å; W41-P184 HydrophobicContact CH2-CG 3.99Å; W41-P184 HydrophobicContact CZ2-CG 4.31Å; W41-P184 HydrophobicContact CZ3-CG 3.66Å
42L98.4Very high97Very high0 Ų046.8 Ų46.80%023%0.228CC..Hα-helixtrans-64.7-49.8175.7-72.4169.3000111.6T15 L16 F19 L38 L39 A44 R45 N46 F47T15-L42 HydrophobicContact CG2-CD2 3.9Å; L16-L42 HydrophobicContact CB-CD1 4.13Å; L16-L42 HydrophobicContact CD1-CD1 3.85Å; F19-L42 HydrophobicContact CB-CD1 4.24Å; F19-L42 HydrophobicContact CB-CD2 4.12Å; F19-L42 HydrophobicContact CD1-CD1 3.97Å; F19-L42 HydrophobicContact CD1-CD2 4.24Å; F19-L42 HydrophobicContact CD1-CG 3.94Å; F19-L42 HydrophobicContact CD2-CD2 4.29Å; F19-L42 HydrophobicContact CE1-CG 4.32Å; F19-L42 HydrophobicContact CG-CD1 4.3Å; F19-L42 HydrophobicContact CG-CD2 3.97Å; F19-L42 HydrophobicContact CG-CG 4.19Å; L38-L42 PolarHBondContact O-N 3.49Å; L39-L42 HydrophobicContact CD2-CD1 4.18Å; L39-L42 PolarHBondContact O-N 2.97Å; L42-A44 VanDerWaalsContact C-N 3.34Å; L42-A44 PolarHBondContact O-N 3.19Å; L42-R45 CarbonylContact O-C 3.4Å; L42-R45 PolarHBondContact O-N 3.37Å; L42-R45 VanDerWaalsContact O-N 3.12Å; L42-N46 PolarHBondContact O-N 3.48Å; L42-N46 VanDerWaalsContact O-N 3.12Å; L42-F47 HydrophobicContact CB-CD1 3.9Å; L42-F47 HydrophobicContact CB-CE1 3.97Å; L42-F47 HydrophobicContact CB-CG 4.26Å; L42-F47 HydrophobicContact CB-CZ 4.38Å; L42-F47 HydrophobicContact CD1-CD1 4.22Å; L42-F47 HydrophobicContact CD1-CE1 4.14Å; L42-F47 HydrophobicContact CD2-CD1 4.44Å; L42-F47 HydrophobicContact CG-CD1 4.43Å; L42-F47 WeakPolarHBondContact O-CA 3.47Å; L42-F47 PolarHBondContact O-N 3.31Å
43R96.9Very high97.3Very high22 Ų2247 Ų478%0.08323%0.226CC..Hα-helixtrans-59.2-44.7178.4-73.4-164.3-52.1-91.67.3111.9G3 L39 R40 R45 N46 F47 E148 E185G3-R43 WeakPolarHBondContact O-CD 3.31Å; G3-R43 PolarHBondContact O-NH1 3.12Å; L39-R43 WeakPolarHBondContact O-CB 3.32Å; L39-R43 WeakPolarHBondContact O-CG 3.25Å; L39-R43 PolarHBondContact O-N 2.98Å; R40-R43 PolarHBondContact O-N 2.85Å; R43-R45 PolarHBondContact O-N 3.27Å; R43-N46 PolarHBondContact O-N 3.27Å; R43-F47 HydrophobicContact CG-CE2 3.92Å; R43-F47 HydrophobicContact CG-CZ 4.28Å; R43-E148 IonicContact CZ-OE1 3.89Å; R43-E148 IonicContact NH2-OE1 2.62Å; R43-E148 PolarHBondContact NH2-OE1 2.95Å; R43-E185 HydrophobicContact CB-CG 3.99Å; R43-E185 IonicContact CZ-OE2 2.68Å; R43-E185 IonicContact NE-OE2 3.02Å; R43-E185 PolarHBondContact NE-OE2 2.9Å; R43-E185 IonicContact NH2-OE2 3.99Å
44A95.5Very high97.4Very high26 Ų2646.4 Ų46.422%0.21523%0.225CC..THydrogen-bonded Turntrans-61.7-14.517900000114.5R40 L42 M55 P184 E185R40-A44 VanDerWaalsContact O-CB 3.3Å; R40-A44 WeakPolarHBondContact O-CB 3.46Å; R40-A44 PolarHBondContact O-N 3.06Å; L42-A44 VanDerWaalsContact C-N 3.34Å; L42-A44 PolarHBondContact O-N 3.19Å; A44-M55 HydrophobicContact CB-SD 4.36Å; A44-P184 HydrophobicContact CB-CB 3.46Å; A44-P184 VanDerWaalsContact CB-CB 3.46Å; A44-E185 HydrophobicContact CB-CG 4.49Å
45R96.6Very high97.6Very high78 Ų7842.3 Ų42.329%0.29421%0.207SC..THydrogen-bonded Turntrans-12424.5175.7-60.9-63.4-179.9-96.14.2112.2W41 L42 R43 F47 N48 K51 M55W41-R45 PolarHBondContact O-N 3.04Å; L42-R45 CarbonylContact O-C 3.4Å; L42-R45 PolarHBondContact O-N 3.37Å; L42-R45 VanDerWaalsContact O-N 3.12Å; R43-R45 PolarHBondContact O-N 3.27Å; R45-F47 VanDerWaalsContact C-N 3.26Å; R45-F47 PolarHBondContact O-N 3.14Å; R45-N48 WeakPolarHBondContact O-CB 3.47Å; R45-N48 PolarHBondContact O-N 3.17Å; R45-K51 HydrophobicContact CB-CB 3.96Å; R45-K51 HydrophobicContact CG-CB 3.98Å; R45-M55 HydrophobicContact CG-SD 4.29Å; R45-M55 PolarHBondContact NH2-SD 2.79Å
46N95.8Very high97.7Very high151 Ų15139.1 Ų39.181%0.80719%0.19SC*.THydrogen-bonded Turntrans52.541.6178-62.1-45.5000113.4L42 R43 N48L42-N46 PolarHBondContact O-N 3.48Å; L42-N46 VanDerWaalsContact O-N 3.12Å; R43-N46 PolarHBondContact O-N 3.27Å; N46-N48 PolarHBondContact O-N 2.84Å; N46-N48 VanDerWaalsContact O-N 3.14Å
47F97.9Very high97.8Very high37 Ų3740 Ų4016%0.16219%0.191CC..THydrogen-bonded Turntrans56.922.6-174.9-71.6-101.4000113.9Q12 T15 L39 L42 R43 R45 L49Q12-F47 HydrophobicContact CB-CD1 4.1Å; Q12-F47 HydrophobicContact CB-CE1 3.65Å; Q12-F47 HydrophobicContact CB-CZ 4.07Å; Q12-F47 HydrophobicContact CG-CD1 3.88Å; Q12-F47 HydrophobicContact CG-CD2 4.28Å; Q12-F47 HydrophobicContact CG-CE1 3.65Å; Q12-F47 HydrophobicContact CG-CE2 4.08Å; Q12-F47 HydrophobicContact CG-CG 4.19Å; Q12-F47 HydrophobicContact CG-CZ 3.77Å; T15-F47 HydrophobicContact CG2-CB 4.36Å; T15-F47 HydrophobicContact CG2-CD1 4.2Å; L39-F47 HydrophobicContact CD2-CE1 3.93Å; L39-F47 HydrophobicContact CD2-CZ 4.02Å; L42-F47 HydrophobicContact CB-CD1 3.9Å; L42-F47 HydrophobicContact CB-CE1 3.97Å; L42-F47 HydrophobicContact CB-CG 4.26Å; L42-F47 HydrophobicContact CB-CZ 4.38Å; L42-F47 HydrophobicContact CD1-CD1 4.22Å; L42-F47 HydrophobicContact CD1-CE1 4.14Å; L42-F47 HydrophobicContact CD2-CD1 4.44Å; L42-F47 HydrophobicContact CG-CD1 4.43Å; L42-F47 WeakPolarHBondContact O-CA 3.47Å; L42-F47 PolarHBondContact O-N 3.31Å; R43-F47 HydrophobicContact CG-CE2 3.92Å; R43-F47 HydrophobicContact CG-CZ 4.28Å; R45-F47 VanDerWaalsContact C-N 3.26Å; R45-F47 PolarHBondContact O-N 3.14Å; F47-L49 PolarHBondContact O-N 2.64Å
48N98.3Very high97.9Very high68 Ų6846.9 Ų46.936%0.36422%0.221SC..  trans-74.2107.9169.4-175.8-70.6000109.8R45 N46 Q50 K51 S52R45-N48 WeakPolarHBondContact O-CB 3.47Å; R45-N48 PolarHBondContact O-N 3.17Å; N46-N48 PolarHBondContact O-N 2.84Å; N46-N48 VanDerWaalsContact O-N 3.14Å; N48-Q50 PolarHBondContact O-N 2.9Å; N48-Q50 PolarHBondContact OD1-N 3.38Å; N48-K51 HydrophobicContact CB-CB 4.16Å; N48-K51 HydrophobicContact CB-CD 4.26Å; N48-K51 HydrophobicContact CB-CG 4.43Å; N48-K51 PolarHBondContact O-N 3.33Å; N48-K51 WeakPolarHBondContact OD1-CB 3.37Å; N48-K51 VanDerWaalsContact OD1-CG 3.3Å; N48-K51 WeakPolarHBondContact OD1-CG 3.49Å; N48-K51 PolarHBondContact OD1-N 3.47Å; N48-S52 WeakPolarHBondContact O-CB 3.32Å; N48-S52 PolarHBondContact O-N 2.85Å; N48-S52 PolarHBondContact O-OG 3.26Å
49L98.1Very high97.9Very high23 Ų2347 Ų4712%0.1222%0.222CC..Hα-helixtrans-57.1-50.6-172.2-168.759.9000113.1T15 E18 F19 R22 F47 K51 S52 E53T15-L49 HydrophobicContact CG2-CD1 4.25Å; E18-L49 HydrophobicContact CB-CD1 4.46Å; E18-L49 HydrophobicContact CB-CD2 4Å; F19-L49 VanDerWaalsContact CA-CD1 3.49Å; F19-L49 HydrophobicContact CB-CD1 3.56Å; F19-L49 HydrophobicContact CD2-CD1 3.95Å; F19-L49 HydrophobicContact CG-CD1 4.23Å; R22-L49 VanDerWaalsContact NE-CD2 3.29Å; F47-L49 PolarHBondContact O-N 2.64Å; L49-K51 PolarHBondContact O-N 2.97Å; L49-S52 PolarHBondContact O-N 3.09Å; L49-E53 WeakPolarHBondContact O-CB 3.5Å; L49-E53 PolarHBondContact O-N 3.09Å
50Q98.4Very high97.9Very high93 Ų9348.3 Ų48.344%0.43523%0.229SC..Hα-helixtrans-64-44.1-178.7-171.463.453.800112.6N48 S52 E53 N54N48-Q50 PolarHBondContact O-N 2.9Å; N48-Q50 PolarHBondContact OD1-N 3.38Å; Q50-S52 VanDerWaalsContact C-N 3.33Å; Q50-E53 PolarHBondContact O-N 2.88Å; Q50-N54 PolarHBondContact NE2-OD1 3.41Å; Q50-N54 WeakPolarHBondContact O-CB 3.48Å; Q50-N54 PolarHBondContact O-N 3.32Å; Q50-N54 PolarHBondContact O-OD1 3.07Å
51K98.3Very high98Very high127 Ų12751.6 Ų51.655%0.55225%0.245SC*.Hα-helixtrans-66.6-37.5179-71.3-179.5179-177.10111.5R45 N48 L49 M55R45-K51 HydrophobicContact CB-CB 3.96Å; R45-K51 HydrophobicContact CG-CB 3.98Å; N48-K51 HydrophobicContact CB-CB 4.16Å; N48-K51 HydrophobicContact CB-CD 4.26Å; N48-K51 HydrophobicContact CB-CG 4.43Å; N48-K51 PolarHBondContact O-N 3.33Å; N48-K51 WeakPolarHBondContact OD1-CB 3.37Å; N48-K51 VanDerWaalsContact OD1-CG 3.3Å; N48-K51 WeakPolarHBondContact OD1-CG 3.49Å; N48-K51 PolarHBondContact OD1-N 3.47Å; L49-K51 PolarHBondContact O-N 2.97Å; K51-M55 WeakPolarHBondContact O-CB 3.32Å; K51-M55 PolarHBondContact O-N 2.87Å
52S98.5Very high98Very high0 Ų052.9 Ų52.90%025%0.251CS..Hα-helixtrans-66.2-43.8177.5-52.10000111.1W41 N48 L49 Q50 M55 I56W41-S52 PolarHBondContact O-OG 3.17Å; N48-S52 WeakPolarHBondContact O-CB 3.32Å; N48-S52 PolarHBondContact O-N 2.85Å; N48-S52 PolarHBondContact O-OG 3.26Å; L49-S52 PolarHBondContact O-N 3.09Å; Q50-S52 VanDerWaalsContact C-N 3.33Å; S52-M55 PolarHBondContact O-N 3Å; S52-I56 PolarHBondContact O-N 3.19Å
53E98.6Very high98Very high26 Ų2653.3 Ų53.312%0.12125%0.253CS..Hα-helixtrans-61.2-49.1175.5179.8179.2179.200111.7F19 R22 I23 L49 Q50 M55 I56 R57F19-E53 HydrophobicContact CE2-CB 4.31Å; R22-E53 WeakPolarHBondContact CD-OE2 3.47Å; R22-E53 IonicContact NH1-OE2 3.07Å; R22-E53 PolarHBondContact NH1-OE2 2.95Å; I23-E53 HydrophobicContact CG2-CG 4.08Å; L49-E53 WeakPolarHBondContact O-CB 3.5Å; L49-E53 PolarHBondContact O-N 3.09Å; Q50-E53 PolarHBondContact O-N 2.88Å; E53-M55 VanDerWaalsContact C-N 3.25Å; E53-M55 PolarHBondContact O-N 3.31Å; E53-I56 WeakPolarHBondContact O-CG2 3.47Å; E53-I56 PolarHBondContact O-N 2.7Å; E53-R57 HydrophobicContact CG-CG 4.41Å; E53-R57 WeakPolarHBondContact O-CB 3.45Å; E53-R57 VanDerWaalsContact O-CG 3.3Å; E53-R57 WeakPolarHBondContact O-CG 3.45Å; E53-R57 PolarHBondContact O-N 3.42Å; E53-R57 IonicContact OE1-CZ 2.7Å; E53-R57 IonicContact OE1-NE 2.65Å; E53-R57 PolarHBondContact OE1-NE 2.71Å; E53-R57 IonicContact OE1-NH2 3.21Å; E53-R57 PolarHBondContact OE1-NH2 2.76Å
54N98.5Very high98Very high79 Ų7959.5 Ų59.542%0.42228%0.28SS..Hα-helixtrans-59.5-38.9177.7-69.4-5.4000111.8Q50 K58Q50-N54 PolarHBondContact NE2-OD1 3.41Å; Q50-N54 WeakPolarHBondContact O-CB 3.48Å; Q50-N54 PolarHBondContact O-N 3.32Å; Q50-N54 PolarHBondContact O-OD1 3.07Å; N54-K58 WeakPolarHBondContact O-CG 3.11Å; N54-K58 PolarHBondContact O-N 3.23Å; N54-K58 VanDerWaalsContact O-N 3.17Å
55M98.4Very high98Very high11 Ų1164.5 Ų64.55%0.05430%0.299CS..Hα-helixtrans-66.6-50.3178.8-171.8-177.3-17400111.7W41 A44 R45 K51 S52 E53 R57 K58 H59 E180 D181 P184W41-M55 HydrophobicContact CE3-CB 4.39Å; W41-M55 HydrophobicContact CE3-CE 4.36Å; W41-M55 HydrophobicContact CE3-CG 3.83Å; W41-M55 HydrophobicContact CE3-SD 3.94Å; W41-M55 HydrophobicContact CZ3-CE 4.17Å; W41-M55 HydrophobicContact CZ3-CG 3.92Å; W41-M55 HydrophobicContact CZ3-SD 4.27Å; A44-M55 HydrophobicContact CB-SD 4.36Å; R45-M55 HydrophobicContact CG-SD 4.29Å; R45-M55 PolarHBondContact NH2-SD 2.79Å; K51-M55 WeakPolarHBondContact O-CB 3.32Å; K51-M55 PolarHBondContact O-N 2.87Å; S52-M55 PolarHBondContact O-N 3Å; E53-M55 VanDerWaalsContact C-N 3.25Å; E53-M55 PolarHBondContact O-N 3.31Å; M55-R57 VanDerWaalsContact C-N 3.32Å; M55-R57 PolarHBondContact O-N 3.46Å; M55-K58 PolarHBondContact O-N 3.49Å; M55-H59 PolarHBondContact O-N 3.06Å; M55-E180 VanDerWaalsContact CE-O 3.29Å; M55-E180 WeakPolarHBondContact CE-O 3.09Å; M55-D181 VanDerWaalsContact CE-O 3.22Å; M55-D181 WeakPolarHBondContact CE-O 3.27Å; M55-P184 HydrophobicContact CE-CB 3.81Å; M55-P184 HydrophobicContact CE-CG 3.8Å; M55-P184 HydrophobicContact SD-CG 4.43Å
56I98.5Very high98Very high0 Ų062 Ų620%029%0.291CS..Hα-helixtrans-68.5-32.3-177.4-158.9171.4000112.1F19 I23 L30 Y37 L38 W41 S52 E53 H59 V60F19-I56 HydrophobicContact CE1-CD1 4.39Å; F19-I56 HydrophobicContact CE2-CG2 4.14Å; F19-I56 HydrophobicContact CZ-CB 4.29Å; F19-I56 HydrophobicContact CZ-CD1 4.08Å; F19-I56 HydrophobicContact CZ-CG2 3.83Å; I23-I56 HydrophobicContact CD1-CD1 4.03Å; I23-I56 HydrophobicContact CG2-CG2 3.92Å; L30-I56 HydrophobicContact CD1-CD1 3.68Å; L30-I56 HydrophobicContact CD1-CG1 4.39Å; L30-I56 HydrophobicContact CD2-CD1 4.02Å; L30-I56 HydrophobicContact CD2-CG1 3.89Å; Y37-I56 HydrophobicContact CE1-CD1 4.33Å; L38-I56 HydrophobicContact CD2-CD1 4.21Å; W41-I56 HydrophobicContact CD2-CB 3.89Å; W41-I56 HydrophobicContact CD2-CD1 3.91Å; W41-I56 HydrophobicContact CD2-CG1 3.72Å; W41-I56 HydrophobicContact CE3-CB 3.94Å; W41-I56 HydrophobicContact CE3-CG1 4.12Å; W41-I56 HydrophobicContact CG-CB 4.2Å; W41-I56 HydrophobicContact CG-CD1 3.77Å; W41-I56 HydrophobicContact CG-CG1 4.09Å; W41-I56 HydrophobicContact CZ2-CG1 4.19Å; S52-I56 PolarHBondContact O-N 3.19Å; E53-I56 WeakPolarHBondContact O-CG2 3.47Å; E53-I56 PolarHBondContact O-N 2.7Å; I56-H59 WeakPolarHBondContact O-CB 3.45Å; I56-H59 PolarHBondContact O-N 2.95Å; I56-V60 WeakPolarHBondContact O-CG2 3.45Å; I56-V60 PolarHBondContact O-N 2.92Å
57R98.6Very high98.1Very high73 Ų7362.2 Ų62.228%0.27529%0.285SS..Hα-helixtrans-66.7-40.9174-71.3-179.9177.9-69.6-3112R22 D25 E53 M55 H59 V60 E61R22-R57 PolarHBondContact O-NH2 3.1Å; D25-R57 IonicContact OD1-CZ 2.71Å; D25-R57 IonicContact OD1-NH1 3.33Å; D25-R57 PolarHBondContact OD1-NH1 3.21Å; D25-R57 IonicContact OD1-NH2 3.83Å; D25-R57 PolarHBondContact OD1-NH2 2.73Å; D25-R57 IonicContact OD2-CZ 3.64Å; D25-R57 IonicContact OD2-NH1 3.85Å; D25-R57 PolarHBondContact OD2-NH1 2.77Å; D25-R57 IonicContact OD2-NH2 4Å; E53-R57 HydrophobicContact CG-CG 4.41Å; E53-R57 WeakPolarHBondContact O-CB 3.45Å; E53-R57 VanDerWaalsContact O-CG 3.3Å; E53-R57 WeakPolarHBondContact O-CG 3.45Å; E53-R57 PolarHBondContact O-N 3.42Å; E53-R57 IonicContact OE1-CZ 2.7Å; E53-R57 IonicContact OE1-NE 2.65Å; E53-R57 PolarHBondContact OE1-NE 2.71Å; E53-R57 IonicContact OE1-NH2 3.21Å; E53-R57 PolarHBondContact OE1-NH2 2.76Å; M55-R57 VanDerWaalsContact C-N 3.32Å; M55-R57 PolarHBondContact O-N 3.46Å; R57-H59 VanDerWaalsContact C-N 3.29Å; R57-H59 PolarHBondContact O-N 2.84Å; R57-V60 PolarHBondContact O-N 2.91Å; R57-E61 PolarHBondContact O-N 3.45Å
58K98.6Very high98.1Very high158 Ų15860.6 Ų60.669%0.68728%0.278SS*.Hα-helixtrans-61.4-39.7171.2-75.9179.3177.2-170.90111.8N54 M55 V60 E61 F62N54-K58 WeakPolarHBondContact O-CG 3.11Å; N54-K58 PolarHBondContact O-N 3.23Å; N54-K58 VanDerWaalsContact O-N 3.17Å; M55-K58 PolarHBondContact O-N 3.49Å; K58-V60 VanDerWaalsContact C-N 3.35Å; K58-V60 PolarHBondContact O-N 3.13Å; K58-E61 PolarHBondContact O-N 3.38Å; K58-F62 PolarHBondContact O-N 3.01Å
59H98.4Very high98Very high3 Ų362.4 Ų62.41%0.01429%0.288CS..Hα-helixtrans-60.4-43.1175.417765.3000112.2Y37 W41 M55 I56 R57 E61 F62 R63 N182Y37-H59 PolarHBondContact OH-NE2 3.01Å; W41-H59 HydrophobicContact CH2-CB 3.46Å; W41-H59 VanDerWaalsContact CH2-CB 3.46Å; W41-H59 AromaticContact CH2-CD2 3.43Å; W41-H59 VanDerWaalsContact CH2-CD2 3.43Å; W41-H59 WeakPolarHBondContact CH2-CD2 3.36Å; W41-H59 AromaticContact CH2-CG 3.27Å; W41-H59 AromaticContact CH2-ND1 3.77Å; W41-H59 AromaticContact CH2-NE2 3.98Å; W41-H59 HydrophobicContact CZ2-CB 4.33Å; W41-H59 AromaticContact CZ2-CD2 3.54Å; W41-H59 AromaticContact CZ2-CG 3.9Å; W41-H59 AromaticContact CZ2-NE2 3.96Å; W41-H59 HydrophobicContact CZ3-CB 3.76Å; M55-H59 PolarHBondContact O-N 3.06Å; I56-H59 WeakPolarHBondContact O-CB 3.45Å; I56-H59 PolarHBondContact O-N 2.95Å; R57-H59 VanDerWaalsContact C-N 3.29Å; R57-H59 PolarHBondContact O-N 2.84Å; H59-E61 VanDerWaalsContact C-N 3.32Å; H59-E61 PolarHBondContact O-N 3.48Å; H59-F62 AromaticContact ND1-CD1 3.96Å; H59-F62 WeakPolarHBondContact O-CB 3.49Å; H59-F62 PolarHBondContact O-N 3.48Å; H59-R63 WeakPolarHBondContact NE2-CD 3.23Å; H59-R63 WeakPolarHBondContact O-CG 3.47Å; H59-R63 PolarHBondContact O-N 2.96Å; H59-N182 PolarHBondContact CE1-O 2.83Å; H59-N182 PolarHBondContact ND1-O 3.36Å; H59-N182 PolarHBondContact ND1-OD1 3.31Å; H59-N182 VanDerWaalsContact ND1-OD1 3.13Å
60V98.4Very high98Very high26 Ų2664.2 Ų64.216%0.15830%0.299CS..Hα-helixtrans-58.5-44176.5171.20000111.4V26 L30 I56 R57 K58 R63 K64V26-V60 HydrophobicContact CB-CG2 4.16Å; V26-V60 HydrophobicContact CG2-CG2 4.48Å; L30-V60 HydrophobicContact CD2-CG2 3.59Å; L30-V60 HydrophobicContact CG-CG2 4.41Å; I56-V60 WeakPolarHBondContact O-CG2 3.45Å; I56-V60 PolarHBondContact O-N 2.92Å; R57-V60 PolarHBondContact O-N 2.91Å; K58-V60 VanDerWaalsContact C-N 3.35Å; K58-V60 PolarHBondContact O-N 3.13Å; V60-R63 PolarHBondContact O-N 3.35Å; V60-K64 PolarHBondContact O-N 3.23Å; V60-K64 VanDerWaalsContact O-N 3.15Å
61E98.1Very high97.9Very high83 Ų8359.9 Ų59.939%0.38828%0.279SS..Hα-helixtrans-65.7-42.8176.3-176.756.7-154.700111.8R57 K58 H59 R63 K64 Q65R57-E61 PolarHBondContact O-N 3.45Å; K58-E61 PolarHBondContact O-N 3.38Å; H59-E61 VanDerWaalsContact C-N 3.32Å; H59-E61 PolarHBondContact O-N 3.48Å; E61-R63 VanDerWaalsContact C-N 3.34Å; E61-R63 PolarHBondContact O-N 2.85Å; E61-K64 WeakPolarHBondContact O-CB 3.35Å; E61-K64 PolarHBondContact O-N 2.65Å; E61-Q65 HydrophobicContact CG-CG 4.32Å; E61-Q65 WeakPolarHBondContact O-CG 3.48Å; E61-Q65 PolarHBondContact O-N 2.87Å; E61-Q65 VanDerWaalsContact OE1-CG 3.29Å; E61-Q65 WeakPolarHBondContact OE1-CG 3.44Å; E61-Q65 PolarHBondContact OE1-NE2 2.92Å
62F98.3Very high97.9Very high26 Ų2656.1 Ų56.111%0.11427%0.265CS..Hα-helixtrans-56.7-46.4173.5163-95.4000112K58 H59 K64 Q65 M66 V68 I126 M178 N182K58-F62 PolarHBondContact O-N 3.01Å; H59-F62 AromaticContact ND1-CD1 3.96Å; H59-F62 WeakPolarHBondContact O-CB 3.49Å; H59-F62 PolarHBondContact O-N 3.48Å; F62-K64 VanDerWaalsContact C-N 3.27Å; F62-K64 PolarHBondContact O-N 2.94Å; F62-Q65 PolarHBondContact O-N 3.33Å; F62-M66 HydrophobicContact CD2-CG 3.82Å; F62-M66 HydrophobicContact CE2-CB 4.3Å; F62-M66 HydrophobicContact CE2-CG 3.64Å; F62-M66 HydrophobicContact CZ-CG 4.31Å; F62-M66 WeakPolarHBondContact O-CB 2.87Å; F62-M66 PolarHBondContact O-N 3.25Å; F62-V68 HydrophobicContact CD1-CG2 4.17Å; F62-V68 HydrophobicContact CE1-CG2 3.72Å; F62-V68 HydrophobicContact CZ-CG2 4.23Å; F62-I126 HydrophobicContact CE2-CD1 3.77Å; F62-I126 HydrophobicContact CZ-CD1 3.49Å; F62-I126 VanDerWaalsContact CZ-CD1 3.49Å; F62-I126 HydrophobicContact CZ-CG1 3.86Å; F62-I126 HydrophobicContact CZ-CG2 4.48Å; F62-M178 HydrophobicContact CE2-CG 3.65Å; F62-M178 HydrophobicContact CE2-SD 4.25Å; F62-M178 HydrophobicContact CZ-CG 3.83Å; F62-M178 HydrophobicContact CZ-SD 3.79Å; F62-N182 WeakPolarHBondContact CB-OD1 3.24Å; F62-N182 HydrophobicContact CD1-CB 4Å; F62-N182 WeakPolarHBondContact CD1-OD1 3.3Å; F62-N182 HydrophobicContact CE1-CB 3.84Å; F62-N182 WeakPolarHBondContact CG-OD1 3.41Å; F62-N182 HydrophobicContact CZ-CB 4.36Å
63R98.3Very high97.8Very high10 Ų1060.2 Ų60.24%0.03830%0.298CS..Hα-helixtrans-56.4-44.9178.4-71.5-170.68272.63.1111.2H59 V60 E61 K67 V68 D69 E130H59-R63 WeakPolarHBondContact NE2-CD 3.23Å; H59-R63 WeakPolarHBondContact O-CG 3.47Å; H59-R63 PolarHBondContact O-N 2.96Å; V60-R63 PolarHBondContact O-N 3.35Å; E61-R63 VanDerWaalsContact C-N 3.34Å; E61-R63 PolarHBondContact O-N 2.85Å; R63-K67 WeakPolarHBondContact O-CA 3.27Å; R63-K67 PolarHBondContact O-N 3.37Å; R63-V68 HydrophobicContact CB-CB 4.22Å; R63-V68 HydrophobicContact CB-CG2 4.41Å; R63-V68 HydrophobicContact CG-CB 4.26Å; R63-V68 HydrophobicContact CG-CG2 4.5Å; R63-V68 PolarHBondContact O-N 3.42Å; R63-D69 IonicContact CZ-OD1 3Å; R63-D69 IonicContact NE-OD1 3.83Å; R63-D69 PolarHBondContact NE-OD1 3.41Å; R63-D69 IonicContact NH2-OD1 3.93Å; R63-D69 PolarHBondContact NH2-OD1 3.18Å; R63-E130 IonicContact NH1-OE1 3.76Å; R63-E130 IonicContact NH2-OE2 3.95Å
64K97.5Very high97.6Very high152 Ų15264.8 Ų64.866%0.66132%0.324SS*.Hα-helixtrans-64.8-51.2178.2-176.4-177176.8-173.20112V60 E61 F62 M66 K67V60-K64 PolarHBondContact O-N 3.23Å; V60-K64 VanDerWaalsContact O-N 3.15Å; E61-K64 WeakPolarHBondContact O-CB 3.35Å; E61-K64 PolarHBondContact O-N 2.65Å; F62-K64 VanDerWaalsContact C-N 3.27Å; F62-K64 PolarHBondContact O-N 2.94Å; K64-M66 PolarHBondContact O-N 3.25Å; K64-K67 PolarHBondContact O-N 2.83Å
65Q96.3Very high97.5Very high131 Ų13163.3 Ų63.361%0.61231%0.312SS*.Hα-helixtrans-62.8-41.3-177.4-71.1179.92.800112.4E61 F62 K67E61-Q65 HydrophobicContact CG-CG 4.32Å; E61-Q65 WeakPolarHBondContact O-CG 3.48Å; E61-Q65 PolarHBondContact O-N 2.87Å; E61-Q65 VanDerWaalsContact OE1-CG 3.29Å; E61-Q65 WeakPolarHBondContact OE1-CG 3.44Å; E61-Q65 PolarHBondContact OE1-NE2 2.92Å; F62-Q65 PolarHBondContact O-N 3.33Å; Q65-K67 VanDerWaalsContact C-N 3.33Å
66M96.5Very high97.4Very high25 Ų2569.6 Ų69.612%0.12334%0.339CS..Hα-helixtrans-89.40.2-177.7-63.4-59.2-75.400113.5F62 K64 V68 L122 K123 I126F62-M66 HydrophobicContact CD2-CG 3.82Å; F62-M66 HydrophobicContact CE2-CB 4.3Å; F62-M66 HydrophobicContact CE2-CG 3.64Å; F62-M66 HydrophobicContact CZ-CG 4.31Å; F62-M66 WeakPolarHBondContact O-CB 2.87Å; F62-M66 PolarHBondContact O-N 3.25Å; K64-M66 PolarHBondContact O-N 3.25Å; M66-V68 HydrophobicContact CB-CG2 3.76Å; M66-V68 PolarHBondContact O-N 3.07Å; M66-L122 HydrophobicContact CE-CD2 3.88Å; M66-L122 HydrophobicContact CE-CG 4.19Å; M66-K123 HydrophobicContact CE-CG 3.62Å; M66-I126 HydrophobicContact CB-CD1 4.2Å; M66-I126 HydrophobicContact CE-CD1 3.47Å; M66-I126 VanDerWaalsContact CE-CD1 3.47Å; M66-I126 HydrophobicContact CG-CD1 4.13Å
67K97.2Very high97.3Very high155 Ų15570 Ų7067%0.67434%0.342SS*.THydrogen-bonded Turntrans51.244.8-175.6-58.6-175.9177.1-173.80112.1R63 K64 Q65 D69 T70 I71R63-K67 WeakPolarHBondContact O-CA 3.27Å; R63-K67 PolarHBondContact O-N 3.37Å; K64-K67 PolarHBondContact O-N 2.83Å; Q65-K67 VanDerWaalsContact C-N 3.33Å; K67-D69 VanDerWaalsContact C-N 3.27Å; K67-D69 PolarHBondContact O-N 3.39Å; K67-T70 PolarHBondContact O-N 2.94Å; K67-I71 PolarHBondContact O-N 3.4Å; K67-I71 VanDerWaalsContact O-N 3.1Å
68V98.1Very high97.3Very high3 Ų368.5 Ų68.52%0.01834%0.341CS..G310 helixtrans-62.2-36-171.3-179.60000111.7F62 R63 M66 T70 I71 I126 E130F62-V68 HydrophobicContact CD1-CG2 4.17Å; F62-V68 HydrophobicContact CE1-CG2 3.72Å; F62-V68 HydrophobicContact CZ-CG2 4.23Å; R63-V68 HydrophobicContact CB-CB 4.22Å; R63-V68 HydrophobicContact CB-CG2 4.41Å; R63-V68 HydrophobicContact CG-CB 4.26Å; R63-V68 HydrophobicContact CG-CG2 4.5Å; R63-V68 PolarHBondContact O-N 3.42Å; M66-V68 HydrophobicContact CB-CG2 3.76Å; M66-V68 PolarHBondContact O-N 3.07Å; V68-T70 PolarHBondContact O-N 3.49Å; V68-I71 VanDerWaalsContact O-CG2 3.24Å; V68-I71 WeakPolarHBondContact O-CG2 2.96Å; V68-I71 PolarHBondContact O-N 3.17Å; V68-I126 HydrophobicContact CG1-CG2 4.18Å; V68-I126 HydrophobicContact CG2-CG2 3.98Å; V68-E130 HydrophobicContact CG1-CG 3.56Å; V68-E130 WeakPolarHBondContact CG1-OE1 3.3Å
69D96.6Very high97.2Very high107 Ų10765.3 Ų65.357%0.57233%0.329SS*.G310 helixtrans-61-29.4-177.6-61-28.8000113.2R63 K67R63-D69 IonicContact CZ-OD1 3Å; R63-D69 IonicContact NE-OD1 3.83Å; R63-D69 PolarHBondContact NE-OD1 3.41Å; R63-D69 IonicContact NH2-OD1 3.93Å; R63-D69 PolarHBondContact NH2-OD1 3.18Å; K67-D69 VanDerWaalsContact C-N 3.27Å; K67-D69 PolarHBondContact O-N 3.39Å
70T96.9Very high97.2Very high60 Ų6065.5 Ų65.537%0.36833%0.33SS..G310 helixtrans-113.41.8-18072.90000113.7K67 V68 I72 A73 D74K67-T70 PolarHBondContact O-N 2.94Å; V68-T70 PolarHBondContact O-N 3.49Å; T70-I72 PolarHBondContact O-N 3.27Å; T70-I72 VanDerWaalsContact O-N 3.07Å; T70-A73 PolarHBondContact O-N 2.95Å; T70-D74 WeakPolarHBondContact CB-OD2 3.49Å; T70-D74 PolarHBondContact O-N 3.37Å; T70-D74 PolarHBondContact OG1-OD2 2.96Å
71I98.1Very high97.2Very high3 Ų364.4 Ų64.42%0.01532%0.323CS..Hα-helixtrans-59.1-30.1-171.1-158.2174.6000113.9K67 V68 W75 K123 I126 R127 E130K67-I71 PolarHBondContact O-N 3.4Å; K67-I71 VanDerWaalsContact O-N 3.1Å; V68-I71 VanDerWaalsContact O-CG2 3.24Å; V68-I71 WeakPolarHBondContact O-CG2 2.96Å; V68-I71 PolarHBondContact O-N 3.17Å; I71-W75 HydrophobicContact CG1-CB 4.07Å; I71-W75 HydrophobicContact CG1-CE3 4.28Å; I71-W75 HydrophobicContact CG1-CG 4.5Å; I71-K123 HydrophobicContact CD1-CB 4.29Å; I71-K123 HydrophobicContact CD1-CG 4.49Å; I71-K123 WeakPolarHBondContact CD1-O 3.34Å; I71-I126 HydrophobicContact CD1-CB 3.87Å; I71-I126 HydrophobicContact CD1-CG2 3.56Å; I71-I126 HydrophobicContact CG2-CG2 4.43Å; I71-R127 HydrophobicContact CD1-CB 4.24Å; I71-R127 HydrophobicContact CG1-CB 4.22Å; I71-R127 HydrophobicContact CG2-CB 4.33Å; I71-E130 HydrophobicContact CG2-CB 4.31Å; I71-E130 HydrophobicContact CG2-CG 4.06Å
72I97.3Very high97.1Very high48 Ų4864.2 Ų64.225%0.24632%0.323CS..Hα-helixtrans-68.4-38.9178.5-60.8178.9000111T70 R127 E130 M131T70-I72 PolarHBondContact O-N 3.27Å; T70-I72 VanDerWaalsContact O-N 3.07Å; I72-R127 PolarHBondContact O-NE 2.92Å; I72-E130 HydrophobicContact CD1-CB 3.84Å; I72-E130 HydrophobicContact CG1-CB 3.98Å; I72-M131 HydrophobicContact CD1-CG 4.05Å; I72-M131 HydrophobicContact CG1-CG 4.11Å; I72-M131 HydrophobicContact CG2-CG 4.23Å
73A95.9Very high97.1Very high85 Ų8567.8 Ų67.870%0.70234%0.338SS*.Hα-helixtrans-92.6-45.1-172.900000112.6T70T70-A73 PolarHBondContact O-N 2.95Å
74D95.5Very high97Very high122 Ų12269.5 Ų69.565%0.65235%0.345SS*.Hα-helixtrans-92.7-16.6-167.3-64.4-4.7000113.2T70T70-D74 WeakPolarHBondContact CB-OD2 3.49Å; T70-D74 PolarHBondContact O-N 3.37Å; T70-D74 PolarHBondContact OG1-OD2 2.96Å
75W96.8Very high97Very high48 Ų4863.1 Ų63.118%0.18232%0.319CS..  trans-120.7127-175.4-173.681.4000111.3I71 P77 K123 T124 R127I71-W75 HydrophobicContact CG1-CB 4.07Å; I71-W75 HydrophobicContact CG1-CE3 4.28Å; I71-W75 HydrophobicContact CG1-CG 4.5Å; W75-P77 VanDerWaalsContact CH2-CA 3.44Å; W75-P77 HydrophobicContact CH2-CB 3.77Å; W75-P77 HydrophobicContact CH2-CG 3.9Å; W75-P77 HydrophobicContact CZ3-CB 4.05Å; W75-P77 HydrophobicContact CZ3-CG 3.63Å; W75-K123 HydrophobicContact CD2-CB 4.08Å; W75-K123 HydrophobicContact CD2-CD 4.36Å; W75-K123 HydrophobicContact CE3-CB 4.19Å; W75-K123 HydrophobicContact CH2-CB 3.71Å; W75-K123 HydrophobicContact CZ2-CB 3.57Å; W75-K123 HydrophobicContact CZ2-CD 4.28Å; W75-K123 HydrophobicContact CZ3-CB 4.02Å; W75-T124 VanDerWaalsContact CH2-OG1 3.29Å; W75-T124 WeakPolarHBondContact CH2-OG1 3.4Å; W75-R127 HydrophobicContact CE3-CB 4.36Å; W75-R127 HydrophobicContact CZ3-CB 4.33Å; W75-R127 PolarHBondContact O-NE 3.06Å
76K95.8Very high97Very high144 Ų14457.1 Ų57.163%0.62629%0.291SS*.  trans-112.9132.4175.6-170.6178.5175.5-171.90109E82K76-E82 WeakPolarHBondContact CE-OE1 3.47Å; K76-E82 WeakPolarHBondContact CE-OE2 3.47Å; K76-E82 IonicContact NZ-OE1 3.62Å; K76-E82 IonicContact NZ-OE2 3.42Å; K76-E82 PolarHBondContact NZ-OE2 3.12Å
77P96.9Very high97Very high8 Ų856.4 Ų56.45%0.05229%0.29CS..  trans-59.4149.9173-14.925.3000111.5W75 I81 E82 T124W75-P77 VanDerWaalsContact CH2-CA 3.44Å; W75-P77 HydrophobicContact CH2-CB 3.77Å; W75-P77 HydrophobicContact CH2-CG 3.9Å; W75-P77 HydrophobicContact CZ3-CB 4.05Å; W75-P77 HydrophobicContact CZ3-CG 3.63Å; P77-I81 HydrophobicContact CB-CB 4.13Å; P77-I81 HydrophobicContact CB-CG2 3.85Å; P77-E82 HydrophobicContact CB-CG 3.86Å; P77-E82 HydrophobicContact CG-CG 4.14Å; P77-T124 HydrophobicContact CG-CG2 4.34Å
78P97.6Very high97Very high41 Ų4149.2 Ų49.227%0.26626%0.26SS..  trans-52.1145.1166.8-25.833.9000111.5V80 I81 E82 D120P78-V80 HydrophobicContact CB-CG1 4.22Å; P78-V80 PolarHBondContact O-N 2.89Å; P78-V80 VanDerWaalsContact O-N 3.12Å; P78-I81 HydrophobicContact CG-CD1 4.4Å; P78-I81 WeakPolarHBondContact O-CA 3.01Å; P78-I81 WeakPolarHBondContact O-CB 3.48Å; P78-I81 PolarHBondContact O-N 3.44Å; P78-E82 PolarHBondContact O-N 3.34Å; P78-E82 VanDerWaalsContact O-N 3.07Å; P78-D120 HydrophobicContact CG-CB 3.98Å
79E97.7Very high97.1Very high92 Ų9251.8 Ų51.843%0.4327%0.273SS..Hα-helixtrans-53.9-38.2-176.7-172.5-166.8148.100112.7I81 E82 K83 Y269E79-I81 VanDerWaalsContact C-N 3.26Å; E79-I81 PolarHBondContact O-N 3.22Å; E79-E82 PolarHBondContact O-N 3.01Å; E79-K83 HydrophobicContact CG-CD 3.99Å; E79-K83 HydrophobicContact CG-CG 4.4Å; E79-K83 WeakPolarHBondContact O-CB 3.42Å; E79-K83 WeakPolarHBondContact O-CG 3.35Å; E79-K83 PolarHBondContact O-N 3.18Å; E79-K83 VanDerWaalsContact OE1-CE 3.23Å; E79-K83 WeakPolarHBondContact OE1-CE 3.45Å; E79-K83 IonicContact OE1-NZ 3.79Å; E79-K83 PolarHBondContact OE1-NZ 2.65Å; E79-Y269 HydrophobicContact CB-CE1 4.46Å; E79-Y269 HydrophobicContact CG-CE1 4.4Å; E79-Y269 PolarHBondContact OE1-OH 2.98Å
80V98.1Very high97.1Very high6 Ų646.8 Ų46.84%0.03625%0.246CC..Hα-helixtrans-61.6-35.3176.568.70000112.3P78 Y84 A116 V265 Y269P78-V80 HydrophobicContact CB-CG1 4.22Å; P78-V80 PolarHBondContact O-N 2.89Å; P78-V80 VanDerWaalsContact O-N 3.12Å; V80-Y84 HydrophobicContact CG2-CD2 3.89Å; V80-Y84 WeakPolarHBondContact O-CB 3.18Å; V80-Y84 WeakPolarHBondContact O-CD2 3.25Å; V80-Y84 PolarHBondContact O-N 3.24Å; V80-A116 HydrophobicContact CG1-CB 4.04Å; V80-V265 HydrophobicContact CG2-CG1 3.5Å; V80-V265 HydrophobicContact CG2-CG2 4.23Å; V80-Y269 HydrophobicContact CB-CD1 3.72Å; V80-Y269 HydrophobicContact CB-CE1 4.25Å; V80-Y269 HydrophobicContact CB-CG 4.03Å; V80-Y269 HydrophobicContact CG2-CD1 4.13Å; V80-Y269 HydrophobicContact CG2-CD2 4.41Å; V80-Y269 HydrophobicContact CG2-CG 3.9Å
81I97.8Very high97.2Very high3 Ų344.5 Ų44.52%0.01524%0.235CC..Hα-helixtrans-71.5-47.7175.1-68.4-169.4000109.9P77 P78 E79 K83 Y84 V85 A116 D120 F121 T124P77-I81 HydrophobicContact CB-CB 4.13Å; P77-I81 HydrophobicContact CB-CG2 3.85Å; P78-I81 HydrophobicContact CG-CD1 4.4Å; P78-I81 WeakPolarHBondContact O-CA 3.01Å; P78-I81 WeakPolarHBondContact O-CB 3.48Å; P78-I81 PolarHBondContact O-N 3.44Å; E79-I81 VanDerWaalsContact C-N 3.26Å; E79-I81 PolarHBondContact O-N 3.22Å; I81-K83 PolarHBondContact O-N 3.27Å; I81-Y84 PolarHBondContact O-N 2.79Å; I81-V85 HydrophobicContact CB-CG2 4.21Å; I81-V85 HydrophobicContact CG1-CG2 4.32Å; I81-V85 HydrophobicContact CG2-CB 4.08Å; I81-V85 HydrophobicContact CG2-CG2 3.76Å; I81-V85 VanDerWaalsContact O-CB 3.3Å; I81-V85 WeakPolarHBondContact O-CB 3.47Å; I81-V85 PolarHBondContact O-N 2.7Å; I81-A116 HydrophobicContact CD1-CB 3.87Å; I81-A116 HydrophobicContact CG1-CB 3.95Å; I81-D120 HydrophobicContact CD1-CB 3.7Å; I81-F121 HydrophobicContact CD1-CD1 3.77Å; I81-F121 HydrophobicContact CD1-CE1 3.71Å; I81-F121 HydrophobicContact CD1-CG 4.2Å; I81-F121 HydrophobicContact CD1-CZ 4.06Å; I81-F121 HydrophobicContact CG1-CD1 4.35Å; I81-F121 HydrophobicContact CG1-CE1 3.84Å; I81-F121 HydrophobicContact CG1-CZ 4.19Å; I81-T124 HydrophobicContact CG2-CG2 3.66Å; I81-T124 WeakPolarHBondContact CG2-OG1 3.15Å
82E96.4Very high97.2Very high80 Ų8046.4 Ų46.437%0.37424%0.242SC..Hα-helixtrans-58.2-36.9179.9-62.8-171.4120.900112.6K76 P77 P78 E79 N260K76-E82 WeakPolarHBondContact CE-OE1 3.47Å; K76-E82 WeakPolarHBondContact CE-OE2 3.47Å; K76-E82 IonicContact NZ-OE1 3.62Å; K76-E82 IonicContact NZ-OE2 3.42Å; K76-E82 PolarHBondContact NZ-OE2 3.12Å; P77-E82 HydrophobicContact CB-CG 3.86Å; P77-E82 HydrophobicContact CG-CG 4.14Å; P78-E82 PolarHBondContact O-N 3.34Å; P78-E82 VanDerWaalsContact O-N 3.07Å; E79-E82 PolarHBondContact O-N 3.01Å; E82-N260 PolarHBondContact O-ND2 3.09Å
83K97.1Very high97.3Very high101 Ų10144.5 Ų44.544%0.43923%0.232SC..Hα-helixtrans-85.8-36.3-177.1-72.4-176.2173.9179.20114.1E79 I81 N260E79-K83 HydrophobicContact CG-CD 3.99Å; E79-K83 HydrophobicContact CG-CG 4.4Å; E79-K83 WeakPolarHBondContact O-CB 3.42Å; E79-K83 WeakPolarHBondContact O-CG 3.35Å; E79-K83 PolarHBondContact O-N 3.18Å; E79-K83 VanDerWaalsContact OE1-CE 3.23Å; E79-K83 WeakPolarHBondContact OE1-CE 3.45Å; E79-K83 IonicContact OE1-NZ 3.79Å; E79-K83 PolarHBondContact OE1-NZ 2.65Å; I81-K83 PolarHBondContact O-N 3.27Å; K83-N260 VanDerWaalsContact C-ND2 3.3Å; K83-N260 PolarHBondContact O-ND2 3.02Å; K83-N260 PolarHBondContact O-OD1 3.29Å
84Y98Very high97.3Very high45 Ų4546.3 Ų46.318%0.17622%0.221CC..Hα-helixtrans-121.7-8.7-166.8-57.3-82.1000115V80 I81 S86 G262 I264 V265 P266 Y269V80-Y84 HydrophobicContact CG2-CD2 3.89Å; V80-Y84 WeakPolarHBondContact O-CB 3.18Å; V80-Y84 WeakPolarHBondContact O-CD2 3.25Å; V80-Y84 PolarHBondContact O-N 3.24Å; I81-Y84 PolarHBondContact O-N 2.79Å; Y84-S86 PolarHBondContact O-N 3.1Å; Y84-G262 WeakPolarHBondContact O-CA 3.31Å; Y84-I264 WeakPolarHBondContact CE1-O 3.38Å; Y84-V265 HydrophobicContact CD1-CG2 4.47Å; Y84-V265 HydrophobicContact CD2-CG2 4.35Å; Y84-V265 HydrophobicContact CG-CG2 3.96Å; Y84-P266 HydrophobicContact CE1-CG 4.43Å; Y84-P266 WeakPolarHBondContact OH-CD 3.5Å; Y84-P266 VanDerWaalsContact OH-CG 3.25Å; Y84-P266 WeakPolarHBondContact OH-CG 3.28Å; Y84-Y269 HydrophobicContact CE2-CD2 4.14Å; Y84-Y269 AromaticContact CE2-CE2 3.66Å; Y84-Y269 HydrophobicContact CE2-CE2 3.66Å
85V96.8Very high97.4Very high18 Ų1845.5 Ų45.511%0.10921%0.213CC..SBendtrans-78.3116.7165.51730000108.4I81 L112 F121 N260I81-V85 HydrophobicContact CB-CG2 4.21Å; I81-V85 HydrophobicContact CG1-CG2 4.32Å; I81-V85 HydrophobicContact CG2-CB 4.08Å; I81-V85 HydrophobicContact CG2-CG2 3.76Å; I81-V85 VanDerWaalsContact O-CB 3.3Å; I81-V85 WeakPolarHBondContact O-CB 3.47Å; I81-V85 PolarHBondContact O-N 2.7Å; V85-L112 HydrophobicContact CG2-CD1 3.91Å; V85-L112 HydrophobicContact CG2-CD2 3.76Å; V85-L112 HydrophobicContact CG2-CG 4.49Å; V85-F121 HydrophobicContact CG2-CD1 4.22Å; V85-F121 HydrophobicContact CG2-CE1 3.75Å; V85-N260 WeakPolarHBondContact O-CB 3.44Å; V85-N260 VanDerWaalsContact O-CG 3.29Å; V85-N260 PolarHBondContact O-OD1 2.78Å
86S95.7Very high97.4Very high6 Ų643.4 Ų43.44%0.04221%0.207CC..  trans-66.4153.8176.662.60000112.3Y84 V103 N260Y84-S86 PolarHBondContact O-N 3.1Å; S86-V103 WeakPolarHBondContact CB-O 3.47Å; S86-V103 PolarHBondContact OG-O 2.87Å; S86-N260 CarbonylContact C-O 3.5Å; S86-N260 VanDerWaalsContact CA-O 3.28Å; S86-N260 WeakPolarHBondContact CA-O 3.42Å
87G96.9Very high97.6Very high9 Ų936.8 Ų36.89%0.09318%0.179CC..BIsolated β-bridgetrans114174169.800000113.3Y101 N260G87-Y101 CarbonylContact C-O 3.59Å; G87-Y101 WeakPolarHBondContact CA-O 3.37Å; G87-N260 PolarHBondContact N-O 3.26Å; G87-N260 PolarHBondContact O-N 2.78Å
88G98Very high97.6Very high5 Ų536.4 Ų36.45%0.05218%0.176CC..EExtended strand (participates in β ladder)trans166.3165-178.100000113W100 Y101 M258G88-W100 WeakPolarHBondContact O-CA 3.13Å; G88-Y101 PolarHBondContact N-O 2.93Å; G88-Y101 PolarHBondContact O-N 2.75Å; G88-M258 WeakPolarHBondContact CA-O 3.46Å
89M98.4Very high97.7Very high57 Ų5734.4 Ų34.428%0.28116%0.163SC..EExtended strand (participates in β ladder)trans-88.5127.7177.4-173.6-173.780.300109.7P98 I99 W100 L132 E135M89-P98 HydrophobicContact SD-CB 4.29Å; M89-I99 WeakPolarHBondContact CA-O 2.88Å; M89-I99 WeakPolarHBondContact CG-O 3.11Å; M89-W100 HydrophobicContact CB-CE3 3.94Å; M89-W100 HydrophobicContact CB-CZ3 4.16Å; M89-L132 HydrophobicContact CB-CD2 4.32Å; M89-L132 HydrophobicContact CG-CD2 3.82Å; M89-L132 HydrophobicContact SD-CD2 3.79Å; M89-E135 HydrophobicContact CE-CG 3.97Å; M89-E135 HydrophobicContact SD-CB 3.95Å; M89-E135 HydrophobicContact SD-CG 3.69Å
90C98.5Very high97.7Very high1 Ų131 Ų311%0.00715%0.146CC..EExtended strand (participates in β ladder)trans-148.5115.8179.5-179.10000111I99 Y101 L246 M258 I259C90-I99 PolarHBondContact N-O 3.27Å; C90-Y101 HydrophobicContact CB-CD2 3.92Å; C90-Y101 HydrophobicContact CB-CE2 3.7Å; C90-Y101 WeakPolarHBondContact O-CE2 3.28Å; C90-L246 WeakPolarHBondContact SG-CD2 3.4Å; C90-M258 HydrophobicContact CB-CB 4.07Å; C90-M258 HydrophobicContact CB-SD 4.29Å; C90-I259 HydrophobicContact CB-CD1 3.82Å; C90-I259 HydrophobicContact CB-CG1 3.79Å
91G98.3Very high97.8Very high13 Ų1330.7 Ų30.713%0.13415%0.145CC..EExtended strand (participates in β ladder)trans71.1-178.4177.700000115.3I99G91-I99 PolarHBondContact O-N 3.3Å; G91-I99 VanDerWaalsContact O-N 3.13Å
92Y98.7Very high97.8Very high42 Ų4231 Ų3117%0.16515%0.147CC..EExtended strand (participates in β ladder)trans-129.9148.4179.7-52.5-85.8000109.7S97 P98 I99 E135 R138 Q139 Q237Y92-S97 CarbonylContact C-O 3.49Å; Y92-S97 WeakPolarHBondContact CA-O 2.85Å; Y92-P98 HydrophobicContact CD1-CB 4.31Å; Y92-P98 HydrophobicContact CD1-CG 4.26Å; Y92-P98 HydrophobicContact CE1-CB 4.32Å; Y92-P98 HydrophobicContact CE1-CG 4.23Å; Y92-I99 VanDerWaalsContact C-CD1 3.4Å; Y92-E135 HydrophobicContact CE1-CG 3.7Å; Y92-E135 WeakPolarHBondContact CE1-OE1 3.5Å; Y92-E135 PolarHBondContact OH-OE1 2.87Å; Y92-R138 PolarHBondContact OH-NH2 3.16Å; Y92-Q139 VanDerWaalsContact CD1-CD 3.44Å; Y92-Q139 HydrophobicContact CD1-CG 3.6Å; Y92-Q139 VanDerWaalsContact CD1-NE2 3.3Å; Y92-Q139 VanDerWaalsContact CE1-CD 3.45Å; Y92-Q139 HydrophobicContact CE1-CG 3.41Å; Y92-Q139 VanDerWaalsContact CE1-CG 3.41Å; Y92-Q237 WeakPolarHBondContact O-CB 3.39Å
93D97.9Very high97.9Very high9 Ų927.6 Ų27.65%0.04813%0.131CC..BIsolated β-bridgetrans-73.4169.9169.975.323.2000111.3E95 G96 S97 I99 T151 K188 I233D93-E95 PolarHBondContact O-N 2.88Å; D93-E95 WeakPolarHBondContact OD1-CA 3.41Å; D93-E95 PolarHBondContact OD1-N 3.23Å; D93-G96 WeakPolarHBondContact O-CA 3.5Å; D93-G96 PolarHBondContact O-N 3.18Å; D93-G96 PolarHBondContact OD1-N 3.21Å; D93-S97 PolarHBondContact N-O 3.11Å; D93-S97 PolarHBondContact OD1-N 3.27Å; D93-S97 WeakPolarHBondContact OD2-CB 3.22Å; D93-I99 HydrophobicContact CB-CD1 4.3Å; D93-I99 HydrophobicContact CB-CG1 4.37Å; D93-T151 PolarHBondContact OD2-OG1 3.2Å; D93-K188 VanDerWaalsContact CG-NZ 3.28Å; D93-K188 IonicContact OD1-NZ 3.15Å; D93-K188 PolarHBondContact OD1-NZ 3.48Å; D93-K188 WeakPolarHBondContact OD2-CD 3.25Å; D93-K188 WeakPolarHBondContact OD2-CE 3.48Å; D93-K188 IonicContact OD2-NZ 3.64Å; D93-K188 PolarHBondContact OD2-NZ 3.39Å; D93-I233 HydrophobicContact CB-CG1 4.34Å
94R97.4Very high97.9Very high122 Ų12224.2 Ų24.246%0.4612%0.117SC..THydrogen-bonded Turntrans-57.1-20.7-177.4-74.7174.5-179.7-70.2-10.5114.1R230 K231 H232 D234R94-R230 PolarHBondContact NE-O 3.16Å; R94-R230 PolarHBondContact NH2-O 3.08Å; R94-R230 VanDerWaalsContact NH2-O 3.17Å; R94-K231 WeakPolarHBondContact CD-O 3.14Å; R94-K231 PolarHBondContact NE-O 3.09Å; R94-H232 WeakPolarHBondContact CB-O 3.46Å; R94-H232 VanDerWaalsContact CG-O 3.29Å; R94-H232 WeakPolarHBondContact CG-O 3.25Å; R94-H232 PolarHBondContact N-O 2.75Å; R94-D234 IonicContact CZ-OD1 3.33Å; R94-D234 IonicContact NH1-OD1 3.62Å; R94-D234 PolarHBondContact NH1-OD1 3.27Å; R94-D234 IonicContact NH1-OD2 2.64Å; R94-D234 IonicContact NH2-OD1 3.55Å; R94-D234 PolarHBondContact NH2-OD1 3.41Å
95E96.6Very high97.9Very high105 Ų10522.5 Ų22.549%0.49111%0.114SC..THydrogen-bonded Turntrans-94.9-2.5178-61.9171.2-103.500112.4D93 K145 I147 K188D93-E95 PolarHBondContact O-N 2.88Å; D93-E95 WeakPolarHBondContact OD1-CA 3.41Å; D93-E95 PolarHBondContact OD1-N 3.23Å; E95-K145 VanDerWaalsContact O-CE 3.31Å; E95-K145 WeakPolarHBondContact O-CE 3.48Å; E95-K145 PolarHBondContact O-NZ 3.13Å; E95-I147 VanDerWaalsContact O-CD1 3.25Å; E95-I147 WeakPolarHBondContact O-CD1 3.46Å; E95-K188 WeakPolarHBondContact OE1-CE 3.31Å; E95-K188 IonicContact OE1-NZ 2.63Å; E95-K188 PolarHBondContact OE1-NZ 3.07Å; E95-K188 IonicContact OE2-NZ 3.79Å
96G97.9Very high97.9Very high5 Ų523.9 Ų23.95%0.05212%0.123CC..SBendtrans962.6177.300000114.5D93 Q139D93-G96 WeakPolarHBondContact O-CA 3.5Å; D93-G96 PolarHBondContact O-N 3.18Å; D93-G96 PolarHBondContact OD1-N 3.21Å; G96-Q139 WeakPolarHBondContact O-CG 3.17Å; G96-Q139 PolarHBondContact O-NE2 3.44Å
97S98.3Very high97.9Very high4 Ų425.3 Ų25.33%0.02813%0.13CC..  trans-71.7134.5178.4-75.30000110.8Y92 D93 S149Y92-S97 CarbonylContact C-O 3.49Å; Y92-S97 WeakPolarHBondContact CA-O 2.85Å; D93-S97 PolarHBondContact N-O 3.11Å; D93-S97 PolarHBondContact OD1-N 3.27Å; D93-S97 WeakPolarHBondContact OD2-CB 3.22Å; S97-S149 WeakPolarHBondContact CB-O 3.49Å; S97-S149 PolarHBondContact OG-O 3.4Å
98P98.7Very high98Very high0 Ų026 Ų260%013%0.132CC..EExtended strand (participates in β ladder)trans-62.9145.9176.6-20.133.5000111.6M89 Y92 L132 E135 C136 T151M89-P98 HydrophobicContact SD-CB 4.29Å; Y92-P98 HydrophobicContact CD1-CB 4.31Å; Y92-P98 HydrophobicContact CD1-CG 4.26Å; Y92-P98 HydrophobicContact CE1-CB 4.32Å; Y92-P98 HydrophobicContact CE1-CG 4.23Å; P98-L132 HydrophobicContact CB-CD2 3.92Å; P98-E135 HydrophobicContact CB-CB 4.43Å; P98-E135 HydrophobicContact CB-CG 3.97Å; P98-E135 HydrophobicContact CG-CB 3.98Å; P98-E135 HydrophobicContact CG-CG 3.65Å; P98-C136 VanDerWaalsContact CD-SG 3.57Å; P98-T151 PolarHBondContact O-N 2.68Å
99I98.8Very high97.9Very high0 Ų026.3 Ų26.30%013%0.133CC..EExtended strand (participates in β ladder)trans-109.1129.5179.5-55.7163.2000110.3M89 C90 G91 Y92 D93 Y101 T151 I153 I233M89-I99 WeakPolarHBondContact CA-O 2.88Å; M89-I99 WeakPolarHBondContact CG-O 3.11Å; C90-I99 PolarHBondContact N-O 3.27Å; G91-I99 PolarHBondContact O-N 3.3Å; G91-I99 VanDerWaalsContact O-N 3.13Å; Y92-I99 VanDerWaalsContact C-CD1 3.4Å; D93-I99 HydrophobicContact CB-CD1 4.3Å; D93-I99 HydrophobicContact CB-CG1 4.37Å; I99-Y101 HydrophobicContact CB-CE2 4.22Å; I99-Y101 HydrophobicContact CG2-CD2 4.09Å; I99-Y101 HydrophobicContact CG2-CE2 3.48Å; I99-Y101 VanDerWaalsContact CG2-CE2 3.48Å; I99-T151 VanDerWaalsContact CA-O 3.28Å; I99-T151 WeakPolarHBondContact CA-O 3.34Å; I99-T151 HydrophobicContact CG1-CG2 4.36Å; I99-T151 HydrophobicContact CG2-CG2 4.46Å; I99-I153 HydrophobicContact CG2-CD1 3.7Å; I99-I153 HydrophobicContact CG2-CG1 3.98Å; I99-I233 HydrophobicContact CD1-CB 4.42Å; I99-I233 HydrophobicContact CD1-CD1 3.7Å; I99-I233 HydrophobicContact CD1-CG1 3.77Å; I99-I233 HydrophobicContact CD1-CG2 3.73Å
100W98.8Very high97.7Very high19 Ų1929.1 Ų29.17%0.07214%0.143CC..EExtended strand (participates in β ladder)trans-110.8133.7171.1-175.9-85.5000110.5G88 M89 D102 H128 L132 T151 L152 I153G88-W100 WeakPolarHBondContact O-CA 3.13Å; M89-W100 HydrophobicContact CB-CE3 3.94Å; M89-W100 HydrophobicContact CB-CZ3 4.16Å; W100-D102 PolarHBondContact NE1-OD1 3.07Å; W100-D102 PolarHBondContact NE1-OD2 2.86Å; W100-H128 HydrophobicContact CH2-CB 3.66Å; W100-H128 AromaticContact CH2-CD2 3.83Å; W100-H128 AromaticContact CH2-CE1 3.59Å; W100-H128 AromaticContact CH2-CG 3.3Å; W100-H128 AromaticContact CH2-ND1 3.14Å; W100-H128 WeakPolarHBondContact CH2-ND1 3.29Å; W100-H128 HydrophobicContact CZ2-CB 4.19Å; W100-H128 AromaticContact CZ2-CE1 3.8Å; W100-H128 AromaticContact CZ2-CG 3.85Å; W100-H128 AromaticContact CZ2-ND1 3.25Å; W100-H128 WeakPolarHBondContact CZ2-ND1 3.5Å; W100-H128 HydrophobicContact CZ3-CB 3.88Å; W100-H128 AromaticContact CZ3-CG 3.98Å; W100-L132 HydrophobicContact CB-CD1 4.13Å; W100-L132 HydrophobicContact CB-CD2 4.43Å; W100-L132 HydrophobicContact CD2-CD1 4.29Å; W100-L132 HydrophobicContact CE3-CD1 3.9Å; W100-L132 HydrophobicContact CE3-CD2 4.2Å; W100-L132 HydrophobicContact CE3-CG 4.14Å; W100-L132 HydrophobicContact CG-CD1 4.4Å; W100-T151 PolarHBondContact N-O 3.47Å; W100-L152 HydrophobicContact CB-CD2 3.64Å; W100-L152 HydrophobicContact CG-CD2 4.32Å; W100-L152 CarbonylContact O-C 3.49Å; W100-L152 WeakPolarHBondContact O-CA 3.16Å; W100-I153 PolarHBondContact O-N 2.87Å
101Y98.8Very high97.6Very high1 Ų129 Ų290%0.00414%0.143CC..EExtended strand (participates in β ladder)trans-103.1134.8174.5-64.6-101.7000109.3G87 G88 C90 I99 I153 L238 P239 Y242 I259G87-Y101 CarbonylContact C-O 3.59Å; G87-Y101 WeakPolarHBondContact CA-O 3.37Å; G88-Y101 PolarHBondContact N-O 2.93Å; G88-Y101 PolarHBondContact O-N 2.75Å; C90-Y101 HydrophobicContact CB-CD2 3.92Å; C90-Y101 HydrophobicContact CB-CE2 3.7Å; C90-Y101 WeakPolarHBondContact O-CE2 3.28Å; I99-Y101 HydrophobicContact CB-CE2 4.22Å; I99-Y101 HydrophobicContact CG2-CD2 4.09Å; I99-Y101 HydrophobicContact CG2-CE2 3.48Å; I99-Y101 VanDerWaalsContact CG2-CE2 3.48Å; Y101-I153 CarbonylContact C-O 3.56Å; Y101-I153 VanDerWaalsContact CA-O 3.31Å; Y101-I153 WeakPolarHBondContact CA-O 3.26Å; Y101-I153 HydrophobicContact CD1-CB 3.87Å; Y101-I153 HydrophobicContact CD1-CD1 4.31Å; Y101-I153 HydrophobicContact CD1-CG2 3.94Å; Y101-I153 HydrophobicContact CE1-CB 4.01Å; Y101-I153 HydrophobicContact CE1-CD1 3.57Å; Y101-I153 HydrophobicContact CE1-CG1 4.35Å; Y101-I153 HydrophobicContact CE1-CG2 4.04Å; Y101-I153 HydrophobicContact CG-CB 4.48Å; Y101-L238 WeakPolarHBondContact OH-CD1 3.38Å; Y101-P239 VanDerWaalsContact OH-CD 3.3Å; Y101-P239 WeakPolarHBondContact OH-CD 3.31Å; Y101-Y242 AromaticContact CD1-CD2 3.81Å; Y101-Y242 HydrophobicContact CD1-CD2 3.81Å; Y101-Y242 AromaticContact CD1-CE2 3.47Å; Y101-Y242 HydrophobicContact CD1-CE2 3.47Å; Y101-Y242 VanDerWaalsContact CD1-CE2 3.47Å; Y101-Y242 AromaticContact CE1-CD2 3.38Å; Y101-Y242 HydrophobicContact CE1-CD2 3.38Å; Y101-Y242 AromaticContact CE1-CE2 3.6Å; Y101-Y242 HydrophobicContact CE1-CE2 3.6Å; Y101-Y242 HydrophobicContact CE1-CG 4.06Å; Y101-Y242 HydrophobicContact CG-CE2 4.44Å; Y101-I259 HydrophobicContact CD1-CD1 4.2Å; Y101-I259 HydrophobicContact CD2-CD1 3.7Å; Y101-I259 HydrophobicContact CD2-CG1 4.23Å; Y101-I259 HydrophobicContact CE2-CD1 4.15Å; Y101-I259 HydrophobicContact CG-CD1 3.75Å; Y101-I259 HydrophobicContact CG-CG1 4.41Å
102D97.8Very high97.6Very high10 Ų1028.7 Ų28.75%0.05314%0.138CC..EExtended strand (participates in β ladder)trans-118.3124.4163.5-81.3-53.8000107.9W100 I104 K125 I153 Y154 D155W100-D102 PolarHBondContact NE1-OD1 3.07Å; W100-D102 PolarHBondContact NE1-OD2 2.86Å; D102-I104 HydrophobicContact CB-CD1 4.26Å; D102-K125 IonicContact OD1-NZ 3.57Å; D102-K125 PolarHBondContact OD1-NZ 3.07Å; D102-K125 VanDerWaalsContact OD1-NZ 3.07Å; D102-I153 PolarHBondContact N-O 3.39Å; D102-Y154 HydrophobicContact CB-CD1 4.11Å; D102-Y154 HydrophobicContact CB-CD2 4.35Å; D102-Y154 HydrophobicContact CB-CE1 3.94Å; D102-Y154 HydrophobicContact CB-CE2 4.16Å; D102-Y154 HydrophobicContact CB-CG 4.3Å; D102-Y154 WeakPolarHBondContact OD2-CE2 3.4Å; D102-Y154 PolarHBondContact OD2-OH 2.87Å; D102-D155 PolarHBondContact O-N 2.95Å
103V98.3Very high97.4Very high7 Ų727.2 Ų27.24%0.04213%0.133CC..EExtended strand (participates in β ladder)trans-108.4101.7-176.2-170.90000110.2S86 P106 D155 I259 Y261S86-V103 WeakPolarHBondContact CB-O 3.47Å; S86-V103 PolarHBondContact OG-O 2.87Å; V103-P106 HydrophobicContact CG1-CG 3.82Å; V103-D155 HydrophobicContact CG1-CB 4.33Å; V103-I259 HydrophobicContact CG2-CG2 4.1Å; V103-Y261 HydrophobicContact CG1-CD1 4.02Å; V103-Y261 HydrophobicContact CG1-CE1 4.45Å; V103-Y261 HydrophobicContact CG2-CD1 4.14Å; V103-Y261 HydrophobicContact CG2-CE1 4.13Å
104I97.9Very high97.3Very high30 Ų3027.2 Ų27.215%0.15413%0.133CC..  trans-79.2-53.1-161-55.4-56.7000113.1D102 P106 L107 Y154 D155 L159 H163D102-I104 HydrophobicContact CB-CD1 4.26Å; I104-P106 VanDerWaalsContact C-CD 3.43Å; I104-L107 WeakPolarHBondContact O-CB 3.47Å; I104-L107 PolarHBondContact O-N 2.91Å; I104-Y154 HydrophobicContact CD1-CD1 3.94Å; I104-Y154 HydrophobicContact CD1-CE1 4.18Å; I104-Y154 HydrophobicContact CG1-CD1 4.31Å; I104-D155 WeakPolarHBondContact CB-O 3.47Å; I104-D155 WeakPolarHBondContact CG1-O 3.39Å; I104-D155 PolarHBondContact N-O 2.9Å; I104-L159 HydrophobicContact CG2-CB 4.24Å; I104-L159 HydrophobicContact CG2-CD1 3.81Å; I104-H163 PolarHBondContact O-NE2 3.31Å
105G97.5Very high97.4Very high10 Ų1021.9 Ų21.910%0.10311%0.114CC..THydrogen-bonded Turntrans-50.9-43.5-171.200000117.3L107 E157 G158 K162G105-L107 VanDerWaalsContact C-N 3.27Å; G105-L107 PolarHBondContact O-N 2.8Å; G105-E157 WeakPolarHBondContact CA-O 3.47Å; G105-E157 PolarHBondContact N-O 3.02Å; G105-E157 VanDerWaalsContact N-O 3.16Å; G105-G158 VanDerWaalsContact CA-C 3.46Å; G105-G158 WeakPolarHBondContact CA-O 3.43Å; G105-K162 VanDerWaalsContact O-CE 3.28Å; G105-K162 WeakPolarHBondContact O-CE 3.33Å; G105-K162 PolarHBondContact O-NZ 2.81Å
106P97.3Very high97.4Very high47 Ų4717 Ų1731%0.3059%0.092SC..THydrogen-bonded Turntrans-78.7-6.8-17931.3-35.5000113.9V103 I104 Y261 G263V103-P106 HydrophobicContact CG1-CG 3.82Å; I104-P106 VanDerWaalsContact C-CD 3.43Å; P106-Y261 WeakPolarHBondContact CB-O 3.45Å; P106-Y261 WeakPolarHBondContact CG-O 3.35Å; P106-G263 WeakPolarHBondContact O-CA 3.49Å; P106-G263 PolarHBondContact O-N 3.01Å; P106-G263 VanDerWaalsContact O-N 3.13Å
107L96.4Very high97.2Very high35 Ų3519.3 Ų19.318%0.18311%0.105CC..  trans-60.5142.2177.6-161.771.7000110.4I104 G105 P109 L112 K162I104-L107 WeakPolarHBondContact O-CB 3.47Å; I104-L107 PolarHBondContact O-N 2.91Å; G105-L107 VanDerWaalsContact C-N 3.27Å; G105-L107 PolarHBondContact O-N 2.8Å; L107-P109 HydrophobicContact CD2-CG 4.43Å; L107-P109 WeakPolarHBondContact O-CD 3.35Å; L107-L112 HydrophobicContact CD1-CD1 3.53Å; L107-L112 HydrophobicContact CG-CD1 3.93Å; L107-K162 WeakPolarHBondContact O-CE 3.37Å; L107-K162 PolarHBondContact O-NZ 3.05Å
108D97.7Very high96.9Very high25 Ų2522.6 Ų22.613%0.13412%0.119CC..  trans-115.683174.1177.910.2000109.9K110 G111 L112 G263 V265D108-K110 VanDerWaalsContact C-N 3.26Å; D108-K110 PolarHBondContact O-N 2.95Å; D108-G111 PolarHBondContact O-N 2.77Å; D108-G111 PolarHBondContact OD1-N 3.13Å; D108-L112 VanDerWaalsContact O-CB 3.27Å; D108-L112 WeakPolarHBondContact O-CB 3.24Å; D108-L112 VanDerWaalsContact O-CG 3.24Å; D108-L112 WeakPolarHBondContact O-CG 3.35Å; D108-L112 PolarHBondContact O-N 2.59Å; D108-G263 WeakPolarHBondContact CB-O 3.36Å; D108-V265 HydrophobicContact CB-CG2 4.36Å; D108-V265 PolarHBondContact OD2-N 3.03Å
109P95.9Very high96.7Very high11 Ų1127.8 Ų27.87%0.07114%0.143CC..Hα-helixtrans-60.7-35.6-174.5-2333.1000113.2L107 L113 A168L107-P109 HydrophobicContact CD2-CG 4.43Å; L107-P109 WeakPolarHBondContact O-CD 3.35Å; P109-L113 WeakPolarHBondContact O-CB 3.11Å; P109-L113 WeakPolarHBondContact O-CG 3.31Å; P109-L113 PolarHBondContact O-N 2.98Å; P109-A168 HydrophobicContact CB-CB 3.61Å; P109-A168 HydrophobicContact CG-CB 4.43Å
110K93.9Very high96.6Very high115 Ų11529.5 Ų29.550%0.515%0.152SC..Hα-helixtrans-69.7-51.1179.5-169.7173.5-172.6174.20110.5D108 L112 L113 L114 W165D108-K110 VanDerWaalsContact C-N 3.26Å; D108-K110 PolarHBondContact O-N 2.95Å; K110-L112 VanDerWaalsContact C-N 3.29Å; K110-L112 PolarHBondContact O-N 3.18Å; K110-L113 PolarHBondContact O-N 2.99Å; K110-L114 HydrophobicContact CG-CD1 3.92Å; K110-L114 HydrophobicContact CG-CG 4.43Å; K110-L114 WeakPolarHBondContact O-CB 3.36Å; K110-L114 VanDerWaalsContact O-CG 3.23Å; K110-L114 WeakPolarHBondContact O-CG 3.36Å; K110-L114 PolarHBondContact O-N 2.9Å; K110-W165 HydrophobicContact CB-CE3 4.38Å; K110-W165 HydrophobicContact CB-CH2 4.45Å; K110-W165 HydrophobicContact CB-CZ3 4.1Å; K110-W165 HydrophobicContact CG-CH2 4.08Å; K110-W165 HydrophobicContact CG-CZ3 4.24Å
111G97.1Very high96.5Very high0 Ų029.7 Ų29.70%015%0.154CC..Hα-helixtrans-59.2-40.9177.300000112.6D108 L114 S115 Y270D108-G111 PolarHBondContact O-N 2.77Å; D108-G111 PolarHBondContact OD1-N 3.13Å; G111-L114 PolarHBondContact O-N 3.42Å; G111-S115 VanDerWaalsContact O-CB 3.27Å; G111-S115 WeakPolarHBondContact O-CB 3.49Å; G111-S115 PolarHBondContact O-N 2.81Å; G111-S115 VanDerWaalsContact O-N 3.14Å; G111-S115 PolarHBondContact O-OG 2.83Å; G111-Y270 VanDerWaalsContact CA-OH 3.32Å; G111-Y270 WeakPolarHBondContact CA-OH 3.3Å
112L97.7Very high96.4Very high5 Ų531.2 Ų31.23%0.02616%0.162CC..Hα-helixtrans-62.6-50.1176.2-77.3172.6000112.6V85 L107 D108 K110 L114 S115 A116 F121 V265V85-L112 HydrophobicContact CG2-CD1 3.91Å; V85-L112 HydrophobicContact CG2-CD2 3.76Å; V85-L112 HydrophobicContact CG2-CG 4.49Å; L107-L112 HydrophobicContact CD1-CD1 3.53Å; L107-L112 HydrophobicContact CG-CD1 3.93Å; D108-L112 VanDerWaalsContact O-CB 3.27Å; D108-L112 WeakPolarHBondContact O-CB 3.24Å; D108-L112 VanDerWaalsContact O-CG 3.24Å; D108-L112 WeakPolarHBondContact O-CG 3.35Å; D108-L112 PolarHBondContact O-N 2.59Å; K110-L112 VanDerWaalsContact C-N 3.29Å; K110-L112 PolarHBondContact O-N 3.18Å; L112-L114 VanDerWaalsContact C-N 3.3Å; L112-L114 PolarHBondContact O-N 3.07Å; L112-S115 PolarHBondContact O-N 3.12Å; L112-A116 PolarHBondContact O-N 2.84Å; L112-F121 HydrophobicContact CB-CE1 4.06Å; L112-F121 HydrophobicContact CB-CZ 3.68Å; L112-F121 HydrophobicContact CD1-CE1 4.49Å; L112-F121 HydrophobicContact CD2-CE1 4.21Å; L112-F121 HydrophobicContact CD2-CZ 4.33Å; L112-F121 HydrophobicContact CG-CE1 4.49Å; L112-F121 WeakPolarHBondContact O-CZ 3.19Å; L112-V265 HydrophobicContact CD2-CG2 3.95Å; L112-V265 HydrophobicContact CG-CG2 3.93Å
113L96Very high96.4Very high12 Ų1233.1 Ų33.16%0.06317%0.169CC..Hα-helixtrans-72.1-21.4-179-71.3175.4000113.7P109 K110 S115 F121 W165 P167 A168 T171 L275P109-L113 WeakPolarHBondContact O-CB 3.11Å; P109-L113 WeakPolarHBondContact O-CG 3.31Å; P109-L113 PolarHBondContact O-N 2.98Å; K110-L113 PolarHBondContact O-N 2.99Å; L113-S115 VanDerWaalsContact C-N 3.33Å; L113-F121 HydrophobicContact CD2-CD2 3.96Å; L113-F121 HydrophobicContact CD2-CE2 3.71Å; L113-W165 HydrophobicContact CB-CH2 4.44Å; L113-W165 HydrophobicContact CB-CZ3 4.02Å; L113-W165 HydrophobicContact CD1-CE3 4.07Å; L113-W165 HydrophobicContact CD1-CH2 4.35Å; L113-W165 HydrophobicContact CD1-CZ3 3.51Å; L113-W165 HydrophobicContact CG-CZ3 4.3Å; L113-P167 HydrophobicContact CD1-CB 4.03Å; L113-A168 HydrophobicContact CD1-CB 4.32Å; L113-T171 HydrophobicContact CD2-CG2 4.16Å; L113-L275 HydrophobicContact CB-CD1 4.08Å; L113-L275 HydrophobicContact CB-CD2 4.44Å; L113-L275 HydrophobicContact CD1-CD1 4.33Å; L113-L275 WeakPolarHBondContact O-CD2 3.47Å
114L95.7Very high96.4Very high8 Ų832.9 Ų32.94%0.04217%0.168CC..Hα-helixtrans-80.1-15.1169.5-65.5175.4000112.9K110 G111 L112 Y270 V271 R272 L275K110-L114 HydrophobicContact CG-CD1 3.92Å; K110-L114 HydrophobicContact CG-CG 4.43Å; K110-L114 WeakPolarHBondContact O-CB 3.36Å; K110-L114 VanDerWaalsContact O-CG 3.23Å; K110-L114 WeakPolarHBondContact O-CG 3.36Å; K110-L114 PolarHBondContact O-N 2.9Å; G111-L114 PolarHBondContact O-N 3.42Å; L112-L114 VanDerWaalsContact C-N 3.3Å; L112-L114 PolarHBondContact O-N 3.07Å; L114-Y270 HydrophobicContact CB-CD1 4.47Å; L114-Y270 HydrophobicContact CB-CD2 3.95Å; L114-Y270 HydrophobicContact CB-CE2 4.21Å; L114-Y270 HydrophobicContact CB-CG 4.1Å; L114-Y270 HydrophobicContact CD1-CD2 3.78Å; L114-Y270 HydrophobicContact CD1-CE2 3.49Å; L114-Y270 VanDerWaalsContact CD1-CE2 3.49Å; L114-V271 WeakPolarHBondContact O-CG2 3.43Å; L114-V271 PolarHBondContact O-N 3.39Å; L114-R272 HydrophobicContact CB-CG 4.3Å; L114-R272 HydrophobicContact CD2-CG 3.73Å; L114-R272 WeakPolarHBondContact O-CG 2.9Å; L114-R272 PolarHBondContact O-N 3.32Å; L114-L275 HydrophobicContact CD2-CD2 4.28Å; L114-L275 HydrophobicContact CD2-CG 4.31Å
115S97.9Very high96.4Very high10 Ų1033.3 Ų33.37%0.0717%0.169CC..Hα-helixtrans-108.6-23.9-175-55.30000114.2G111 L112 L113 V265 Y269 Y270G111-S115 VanDerWaalsContact O-CB 3.27Å; G111-S115 WeakPolarHBondContact O-CB 3.49Å; G111-S115 PolarHBondContact O-N 2.81Å; G111-S115 VanDerWaalsContact O-N 3.14Å; G111-S115 PolarHBondContact O-OG 2.83Å; L112-S115 PolarHBondContact O-N 3.12Å; L113-S115 VanDerWaalsContact C-N 3.33Å; S115-V265 WeakPolarHBondContact OG-CG1 3.5Å; S115-Y269 WeakPolarHBondContact CA-O 3.37Å; S115-Y269 VanDerWaalsContact CB-O 3.31Å; S115-Y269 WeakPolarHBondContact CB-O 3.44Å; S115-Y269 PolarHBondContact OG-O 2.92Å; S115-Y270 VanDerWaalsContact OG-CD1 3.29Å; S115-Y270 WeakPolarHBondContact OG-CD1 3.28Å
116A96.4Very high96.4Very high4 Ų432.9 Ų32.93%0.03316%0.164CC..SBendtrans-139.3162.5-179.800000111.9V80 I81 L112 D120 F121V80-A116 HydrophobicContact CG1-CB 4.04Å; I81-A116 HydrophobicContact CD1-CB 3.87Å; I81-A116 HydrophobicContact CG1-CB 3.95Å; L112-A116 PolarHBondContact O-N 2.84Å; A116-D120 HydrophobicContact CB-CB 4.36Å; A116-F121 HydrophobicContact CB-CE2 3.87Å; A116-F121 HydrophobicContact CB-CZ 3.89Å
117T94.4Very high96.4Very high53 Ų5333.1 Ų33.133%0.32516%0.159SC..  trans-84.8155.8-178.772.90000111.8Q119 D120 F121T117-Q119 PolarHBondContact O-N 2.96Å; T117-Q119 PolarHBondContact OG1-N 3.38Å; T117-D120 WeakPolarHBondContact CB-OD2 3.36Å; T117-D120 PolarHBondContact N-OD2 3.41Å; T117-D120 WeakPolarHBondContact O-CB 3.42Å; T117-D120 PolarHBondContact O-N 3.48Å; T117-D120 PolarHBondContact OG1-N 3.43Å; T117-D120 VanDerWaalsContact OG1-N 3.12Å; T117-D120 PolarHBondContact OG1-OD2 3.32Å; T117-F121 WeakPolarHBondContact O-CD2 3.39Å; T117-F121 PolarHBondContact O-N 2.64Å
118K92.1Very high96.5Very high73 Ų7333 Ų3332%0.31716%0.158SC..Hα-helixtrans-52.3-38.7170.3-69.2-168.9174.1-1710112.1D120 F121 L122 E170 T171 E174K118-D120 VanDerWaalsContact C-N 3.33Å; K118-D120 PolarHBondContact O-N 2.94Å; K118-F121 PolarHBondContact O-N 2.98Å; K118-L122 PolarHBondContact O-N 3.44Å; K118-E170 IonicContact NZ-OE2 3.73Å; K118-T171 HydrophobicContact CB-CG2 4.41Å; K118-T171 VanDerWaalsContact CE-OG1 3.31Å; K118-T171 WeakPolarHBondContact CE-OG1 3.35Å; K118-T171 HydrophobicContact CG-CG2 4.09Å; K118-E174 IonicContact NZ-OE1 2.93Å; K118-E174 PolarHBondContact NZ-OE1 3.05Å
119Q94.3Very high96.5Very high109 Ų10932.8 Ų32.851%0.50916%0.156SC..Hα-helixtrans-65.4-34.5178.1-169.7177.6-2.300112.5T117 L122 K123T117-Q119 PolarHBondContact O-N 2.96Å; T117-Q119 PolarHBondContact OG1-N 3.38Å; Q119-L122 PolarHBondContact O-N 3.25Å; Q119-K123 WeakPolarHBondContact O-CB 3.07Å; Q119-K123 WeakPolarHBondContact O-CG 3.31Å; Q119-K123 PolarHBondContact O-N 3.3Å
120D96.8Very high96.6Very high35 Ų3533 Ų3319%0.18716%0.156CC..Hα-helixtrans-65.8-42.4174.2-60.9-46.7000111P78 I81 A116 T117 K118 K123 T124P78-D120 HydrophobicContact CG-CB 3.98Å; I81-D120 HydrophobicContact CD1-CB 3.7Å; A116-D120 HydrophobicContact CB-CB 4.36Å; T117-D120 WeakPolarHBondContact CB-OD2 3.36Å; T117-D120 PolarHBondContact N-OD2 3.41Å; T117-D120 WeakPolarHBondContact O-CB 3.42Å; T117-D120 PolarHBondContact O-N 3.48Å; T117-D120 PolarHBondContact OG1-N 3.43Å; T117-D120 VanDerWaalsContact OG1-N 3.12Å; T117-D120 PolarHBondContact OG1-OD2 3.32Å; K118-D120 VanDerWaalsContact C-N 3.33Å; K118-D120 PolarHBondContact O-N 2.94Å; D120-K123 PolarHBondContact O-N 2.98Å; D120-T124 WeakPolarHBondContact O-CB 2.92Å; D120-T124 PolarHBondContact O-N 2.66Å; D120-T124 PolarHBondContact O-OG1 3.45Å
121F96.4Very high96.8Very high23 Ų2330.9 Ų30.910%0.10115%0.149CC..Hα-helixtrans-62.2-44174.2-67.4-71.1000111.8I81 V85 L112 L113 A116 T117 K118 T124 K125 T171I81-F121 HydrophobicContact CD1-CD1 3.77Å; I81-F121 HydrophobicContact CD1-CE1 3.71Å; I81-F121 HydrophobicContact CD1-CG 4.2Å; I81-F121 HydrophobicContact CD1-CZ 4.06Å; I81-F121 HydrophobicContact CG1-CD1 4.35Å; I81-F121 HydrophobicContact CG1-CE1 3.84Å; I81-F121 HydrophobicContact CG1-CZ 4.19Å; V85-F121 HydrophobicContact CG2-CD1 4.22Å; V85-F121 HydrophobicContact CG2-CE1 3.75Å; L112-F121 HydrophobicContact CB-CE1 4.06Å; L112-F121 HydrophobicContact CB-CZ 3.68Å; L112-F121 HydrophobicContact CD1-CE1 4.49Å; L112-F121 HydrophobicContact CD2-CE1 4.21Å; L112-F121 HydrophobicContact CD2-CZ 4.33Å; L112-F121 HydrophobicContact CG-CE1 4.49Å; L112-F121 WeakPolarHBondContact O-CZ 3.19Å; L113-F121 HydrophobicContact CD2-CD2 3.96Å; L113-F121 HydrophobicContact CD2-CE2 3.71Å; A116-F121 HydrophobicContact CB-CE2 3.87Å; A116-F121 HydrophobicContact CB-CZ 3.89Å; T117-F121 WeakPolarHBondContact O-CD2 3.39Å; T117-F121 PolarHBondContact O-N 2.64Å; K118-F121 PolarHBondContact O-N 2.98Å; F121-T124 WeakPolarHBondContact O-CB 3.49Å; F121-T124 PolarHBondContact O-N 3.22Å; F121-K125 PolarHBondContact O-N 2.92Å; F121-T171 HydrophobicContact CB-CG2 4.39Å
122L96.7Very high96.8Very high34 Ų3431.3 Ų31.318%0.17815%0.151CC..Hα-helixtrans-61.2-50.2178.1-168.966.1000111.3M66 K118 Q119 T124 K125 I126 V175 M178M66-L122 HydrophobicContact CE-CD2 3.88Å; M66-L122 HydrophobicContact CE-CG 4.19Å; K118-L122 PolarHBondContact O-N 3.44Å; Q119-L122 PolarHBondContact O-N 3.25Å; L122-T124 VanDerWaalsContact C-N 3.3Å; L122-T124 PolarHBondContact O-N 3.45Å; L122-K125 PolarHBondContact O-N 2.69Å; L122-I126 HydrophobicContact CG-CD1 4.09Å; L122-I126 VanDerWaalsContact O-CG1 3.25Å; L122-I126 WeakPolarHBondContact O-CG1 3.5Å; L122-I126 PolarHBondContact O-N 3.36Å; L122-V175 HydrophobicContact CD1-CG2 4.15Å; L122-M178 HydrophobicContact CD1-CB 3.75Å; L122-M178 HydrophobicContact CD1-CE 3.93Å; L122-M178 HydrophobicContact CD1-CG 3.84Å
123K97.9Very high96.8Very high49 Ų4932.2 Ų32.221%0.21316%0.155CC..Hα-helixtrans-61.4-37.5176.3-76.6-177.5176.2177.20112.6M66 I71 W75 Q119 D120 I126 R127M66-K123 HydrophobicContact CE-CG 3.62Å; I71-K123 HydrophobicContact CD1-CB 4.29Å; I71-K123 HydrophobicContact CD1-CG 4.49Å; I71-K123 WeakPolarHBondContact CD1-O 3.34Å; W75-K123 HydrophobicContact CD2-CB 4.08Å; W75-K123 HydrophobicContact CD2-CD 4.36Å; W75-K123 HydrophobicContact CE3-CB 4.19Å; W75-K123 HydrophobicContact CH2-CB 3.71Å; W75-K123 HydrophobicContact CZ2-CB 3.57Å; W75-K123 HydrophobicContact CZ2-CD 4.28Å; W75-K123 HydrophobicContact CZ3-CB 4.02Å; Q119-K123 WeakPolarHBondContact O-CB 3.07Å; Q119-K123 WeakPolarHBondContact O-CG 3.31Å; Q119-K123 PolarHBondContact O-N 3.3Å; D120-K123 PolarHBondContact O-N 2.98Å; K123-I126 PolarHBondContact O-N 2.86Å; K123-R127 WeakPolarHBondContact O-CB 3.29Å; K123-R127 PolarHBondContact O-N 3.22Å
124T97.8Very high96.9Very high3 Ų339.1 Ų39.12%0.01818%0.18CC..Hα-helixtrans-58.3-51.1174.1-55.80000110.9W75 P77 I81 D120 F121 L122 R127 H128W75-T124 VanDerWaalsContact CH2-OG1 3.29Å; W75-T124 WeakPolarHBondContact CH2-OG1 3.4Å; P77-T124 HydrophobicContact CG-CG2 4.34Å; I81-T124 HydrophobicContact CG2-CG2 3.66Å; I81-T124 WeakPolarHBondContact CG2-OG1 3.15Å; D120-T124 WeakPolarHBondContact O-CB 2.92Å; D120-T124 PolarHBondContact O-N 2.66Å; D120-T124 PolarHBondContact O-OG1 3.45Å; F121-T124 WeakPolarHBondContact O-CB 3.49Å; F121-T124 PolarHBondContact O-N 3.22Å; L122-T124 VanDerWaalsContact C-N 3.3Å; L122-T124 PolarHBondContact O-N 3.45Å; T124-R127 WeakPolarHBondContact O-CB 3.32Å; T124-R127 PolarHBondContact O-N 2.88Å; T124-H128 VanDerWaalsContact CG2-CE1 3.47Å; T124-H128 WeakPolarHBondContact CG2-CE1 3.36Å; T124-H128 PolarHBondContact O-CD2 2.92Å; T124-H128 VanDerWaalsContact O-CG 3.27Å; T124-H128 PolarHBondContact O-N 3.25Å
125K97.6Very high97Very high39 Ų3939.8 Ų39.817%0.1718%0.183CC..Hα-helixtrans-67.7-39.1-178.4-68.7-69.1-174.8178.40111.7D102 F121 L122 R127 H128 I129 V175D102-K125 IonicContact OD1-NZ 3.57Å; D102-K125 PolarHBondContact OD1-NZ 3.07Å; D102-K125 VanDerWaalsContact OD1-NZ 3.07Å; F121-K125 PolarHBondContact O-N 2.92Å; L122-K125 PolarHBondContact O-N 2.69Å; K125-R127 VanDerWaalsContact C-N 3.35Å; K125-R127 PolarHBondContact O-N 3.22Å; K125-H128 PolarHBondContact O-N 3.24Å; K125-I129 VanDerWaalsContact O-CD1 3.3Å; K125-I129 WeakPolarHBondContact O-CD1 3.37Å; K125-I129 WeakPolarHBondContact O-CG1 3.47Å; K125-I129 PolarHBondContact O-N 2.91Å; K125-V175 HydrophobicContact CB-CG1 3.9Å; K125-V175 HydrophobicContact CG-CG1 3.87Å; K125-V175 HydrophobicContact CG-CG2 4.31Å
126I98.4Very high97Very high0 Ų039.4 Ų39.40%018%0.18CC..Hα-helixtrans-56.5-49.2170.9-66.7166.9000110.5F62 M66 V68 I71 L122 K123 H128 I129 E130 M178F62-I126 HydrophobicContact CE2-CD1 3.77Å; F62-I126 HydrophobicContact CZ-CD1 3.49Å; F62-I126 VanDerWaalsContact CZ-CD1 3.49Å; F62-I126 HydrophobicContact CZ-CG1 3.86Å; F62-I126 HydrophobicContact CZ-CG2 4.48Å; M66-I126 HydrophobicContact CB-CD1 4.2Å; M66-I126 HydrophobicContact CE-CD1 3.47Å; M66-I126 VanDerWaalsContact CE-CD1 3.47Å; M66-I126 HydrophobicContact CG-CD1 4.13Å; V68-I126 HydrophobicContact CG1-CG2 4.18Å; V68-I126 HydrophobicContact CG2-CG2 3.98Å; I71-I126 HydrophobicContact CD1-CB 3.87Å; I71-I126 HydrophobicContact CD1-CG2 3.56Å; I71-I126 HydrophobicContact CG2-CG2 4.43Å; L122-I126 HydrophobicContact CG-CD1 4.09Å; L122-I126 VanDerWaalsContact O-CG1 3.25Å; L122-I126 WeakPolarHBondContact O-CG1 3.5Å; L122-I126 PolarHBondContact O-N 3.36Å; K123-I126 PolarHBondContact O-N 2.86Å; I126-H128 VanDerWaalsContact C-N 3.34Å; I126-H128 PolarHBondContact O-N 2.88Å; I126-I129 PolarHBondContact O-N 3.44Å; I126-I129 VanDerWaalsContact O-N 3.17Å; I126-E130 HydrophobicContact CG2-CG 4.41Å; I126-E130 WeakPolarHBondContact O-CG 3.45Å; I126-E130 PolarHBondContact O-N 3.29Å; I126-M178 HydrophobicContact CD1-CG 4.45Å; I126-M178 HydrophobicContact CD1-SD 4.28Å; I126-M178 HydrophobicContact CG1-CE 3.61Å; I126-M178 HydrophobicContact CG1-CG 4.4Å; I126-M178 HydrophobicContact CG1-SD 3.63Å
127R98.1Very high97Very high52 Ų5244.8 Ų44.820%0.19620%0.2CC..Hα-helixtrans-59.1-44.1178.6-178.8173.1177.1-83.8-0.6111.9I71 I72 W75 K123 T124 K125 I129 E130 M131I71-R127 HydrophobicContact CD1-CB 4.24Å; I71-R127 HydrophobicContact CG1-CB 4.22Å; I71-R127 HydrophobicContact CG2-CB 4.33Å; I72-R127 PolarHBondContact O-NE 2.92Å; W75-R127 HydrophobicContact CE3-CB 4.36Å; W75-R127 HydrophobicContact CZ3-CB 4.33Å; W75-R127 PolarHBondContact O-NE 3.06Å; K123-R127 WeakPolarHBondContact O-CB 3.29Å; K123-R127 PolarHBondContact O-N 3.22Å; T124-R127 WeakPolarHBondContact O-CB 3.32Å; T124-R127 PolarHBondContact O-N 2.88Å; K125-R127 VanDerWaalsContact C-N 3.35Å; K125-R127 PolarHBondContact O-N 3.22Å; R127-I129 VanDerWaalsContact C-N 3.35Å; R127-I129 PolarHBondContact O-N 2.66Å; R127-E130 PolarHBondContact O-N 2.71Å; R127-M131 HydrophobicContact CG-SD 4.23Å; R127-M131 VanDerWaalsContact O-CG 3.27Å; R127-M131 WeakPolarHBondContact O-CG 3.21Å; R127-M131 PolarHBondContact O-N 3.05Å
128H97.8Very high97.2Very high34 Ų3446.7 Ų46.716%0.15720%0.201CC..Hα-helixtrans-61-42.8176-64.8175.1000112.1W100 T124 K125 I126 M131 L132W100-H128 HydrophobicContact CH2-CB 3.66Å; W100-H128 AromaticContact CH2-CD2 3.83Å; W100-H128 AromaticContact CH2-CE1 3.59Å; W100-H128 AromaticContact CH2-CG 3.3Å; W100-H128 AromaticContact CH2-ND1 3.14Å; W100-H128 WeakPolarHBondContact CH2-ND1 3.29Å; W100-H128 HydrophobicContact CZ2-CB 4.19Å; W100-H128 AromaticContact CZ2-CE1 3.8Å; W100-H128 AromaticContact CZ2-CG 3.85Å; W100-H128 AromaticContact CZ2-ND1 3.25Å; W100-H128 WeakPolarHBondContact CZ2-ND1 3.5Å; W100-H128 HydrophobicContact CZ3-CB 3.88Å; W100-H128 AromaticContact CZ3-CG 3.98Å; T124-H128 VanDerWaalsContact CG2-CE1 3.47Å; T124-H128 WeakPolarHBondContact CG2-CE1 3.36Å; T124-H128 PolarHBondContact O-CD2 2.92Å; T124-H128 VanDerWaalsContact O-CG 3.27Å; T124-H128 PolarHBondContact O-N 3.25Å; K125-H128 PolarHBondContact O-N 3.24Å; I126-H128 VanDerWaalsContact C-N 3.34Å; I126-H128 PolarHBondContact O-N 2.88Å; H128-M131 WeakPolarHBondContact O-CB 3.47Å; H128-M131 PolarHBondContact O-N 3.48Å; H128-L132 WeakPolarHBondContact O-CG 3.49Å; H128-L132 PolarHBondContact O-N 3.39Å
129I97.8Very high97.5Very high20 Ų2043.5 Ų43.510%0.10319%0.187CC..Hα-helixtrans-65.2-44177.6-61.5154.2000110.9K125 I126 R127 M131 L132 Q133 M178 Y179 Y183K125-I129 VanDerWaalsContact O-CD1 3.3Å; K125-I129 WeakPolarHBondContact O-CD1 3.37Å; K125-I129 WeakPolarHBondContact O-CG1 3.47Å; K125-I129 PolarHBondContact O-N 2.91Å; I126-I129 PolarHBondContact O-N 3.44Å; I126-I129 VanDerWaalsContact O-N 3.17Å; R127-I129 VanDerWaalsContact C-N 3.35Å; R127-I129 PolarHBondContact O-N 2.66Å; I129-M131 VanDerWaalsContact C-N 3.31Å; I129-M131 PolarHBondContact O-N 3.37Å; I129-L132 WeakPolarHBondContact O-CB 3.26Å; I129-L132 PolarHBondContact O-N 2.91Å; I129-Q133 HydrophobicContact CG2-CG 4.38Å; I129-Q133 WeakPolarHBondContact O-CG 3.29Å; I129-Q133 PolarHBondContact O-N 3.23Å; I129-M178 HydrophobicContact CD1-CE 3.95Å; I129-Y179 HydrophobicContact CD1-CD2 3.67Å; I129-Y179 HydrophobicContact CD1-CE2 4.32Å; I129-Y179 HydrophobicContact CG1-CD2 4.19Å; I129-Y179 HydrophobicContact CG1-CE2 4.36Å; I129-Y179 HydrophobicContact CG2-CE2 4.48Å; I129-Y183 HydrophobicContact CB-CE1 4.28Å; I129-Y183 HydrophobicContact CB-CE2 4.31Å; I129-Y183 HydrophobicContact CD1-CD2 4Å; I129-Y183 HydrophobicContact CD1-CE2 3.85Å; I129-Y183 HydrophobicContact CG2-CD1 3.36Å; I129-Y183 HydrophobicContact CG2-CD2 3.91Å; I129-Y183 HydrophobicContact CG2-CE1 3.37Å; I129-Y183 HydrophobicContact CG2-CE2 3.91Å; I129-Y183 HydrophobicContact CG2-CG 3.63Å
130E98.1Very high97.6Very high14 Ų1439.5 Ų39.57%0.06517%0.171CC..Hα-helixtrans-63.7-36176.5-68-62.4140.100112.1R63 V68 I71 I72 I126 R127 Q133 R134 Y183R63-E130 IonicContact NH1-OE1 3.76Å; R63-E130 IonicContact NH2-OE2 3.95Å; V68-E130 HydrophobicContact CG1-CG 3.56Å; V68-E130 WeakPolarHBondContact CG1-OE1 3.3Å; I71-E130 HydrophobicContact CG2-CB 4.31Å; I71-E130 HydrophobicContact CG2-CG 4.06Å; I72-E130 HydrophobicContact CD1-CB 3.84Å; I72-E130 HydrophobicContact CG1-CB 3.98Å; I126-E130 HydrophobicContact CG2-CG 4.41Å; I126-E130 WeakPolarHBondContact O-CG 3.45Å; I126-E130 PolarHBondContact O-N 3.29Å; R127-E130 PolarHBondContact O-N 2.71Å; E130-Q133 PolarHBondContact O-N 3.15Å; E130-R134 WeakPolarHBondContact O-CB 3.41Å; E130-R134 PolarHBondContact O-N 3.02Å; E130-Y183 WeakPolarHBondContact OE1-CE1 3.43Å; E130-Y183 PolarHBondContact OE1-OH 3.21Å
131M97.6Very high97.7Very high71 Ų7145.3 Ų45.335%0.3520%0.197SC..Hα-helixtrans-62.2-45.1171.9-73173.164.300111.4I72 R127 H128 I129 Q133 R134 E135I72-M131 HydrophobicContact CD1-CG 4.05Å; I72-M131 HydrophobicContact CG1-CG 4.11Å; I72-M131 HydrophobicContact CG2-CG 4.23Å; R127-M131 HydrophobicContact CG-SD 4.23Å; R127-M131 VanDerWaalsContact O-CG 3.27Å; R127-M131 WeakPolarHBondContact O-CG 3.21Å; R127-M131 PolarHBondContact O-N 3.05Å; H128-M131 WeakPolarHBondContact O-CB 3.47Å; H128-M131 PolarHBondContact O-N 3.48Å; I129-M131 VanDerWaalsContact C-N 3.31Å; I129-M131 PolarHBondContact O-N 3.37Å; M131-Q133 PolarHBondContact O-N 2.92Å; M131-R134 WeakPolarHBondContact O-CB 3.48Å; M131-R134 PolarHBondContact O-N 3.44Å; M131-E135 WeakPolarHBondContact O-CB 3.29Å; M131-E135 PolarHBondContact O-N 3.43Å
132L98.1Very high97.7Very high10 Ų1051.1 Ų51.15%0.05222%0.223CC..Hα-helixtrans-63-39.6174.9-73.2167.1000112.2M89 P98 W100 H128 I129 E135 C136 T150M89-L132 HydrophobicContact CB-CD2 4.32Å; M89-L132 HydrophobicContact CG-CD2 3.82Å; M89-L132 HydrophobicContact SD-CD2 3.79Å; P98-L132 HydrophobicContact CB-CD2 3.92Å; W100-L132 HydrophobicContact CB-CD1 4.13Å; W100-L132 HydrophobicContact CB-CD2 4.43Å; W100-L132 HydrophobicContact CD2-CD1 4.29Å; W100-L132 HydrophobicContact CE3-CD1 3.9Å; W100-L132 HydrophobicContact CE3-CD2 4.2Å; W100-L132 HydrophobicContact CE3-CG 4.14Å; W100-L132 HydrophobicContact CG-CD1 4.4Å; H128-L132 WeakPolarHBondContact O-CG 3.49Å; H128-L132 PolarHBondContact O-N 3.39Å; I129-L132 WeakPolarHBondContact O-CB 3.26Å; I129-L132 PolarHBondContact O-N 2.91Å; L132-E135 WeakPolarHBondContact O-CB 3.37Å; L132-E135 PolarHBondContact O-N 3.14Å; L132-C136 PolarHBondContact O-N 3.14Å; L132-C136 PolarHBondContact O-SG 3.34Å; L132-C136 VanDerWaalsContact O-SG 3.41Å; L132-T150 HydrophobicContact CB-CG2 3.92Å; L132-T150 HydrophobicContact CD1-CG2 4.38Å; L132-T150 HydrophobicContact CD2-CG2 4.28Å; L132-T150 HydrophobicContact CG-CG2 4.44Å
133Q97.2Very high97.8Very high23 Ų2353 Ų5311%0.10723%0.233CC..Hα-helixtrans-65.5-38175.6-70-65-44.200111.9I129 E130 M131 E135 C136 R137I129-Q133 HydrophobicContact CG2-CG 4.38Å; I129-Q133 WeakPolarHBondContact O-CG 3.29Å; I129-Q133 PolarHBondContact O-N 3.23Å; E130-Q133 PolarHBondContact O-N 3.15Å; M131-Q133 PolarHBondContact O-N 2.92Å; Q133-E135 VanDerWaalsContact C-N 3.29Å; Q133-C136 WeakPolarHBondContact O-CB 3.48Å; Q133-C136 PolarHBondContact O-N 3.47Å; Q133-R137 PolarHBondContact O-N 2.99Å; Q133-R137 VanDerWaalsContact O-N 3.17Å; Q133-R137 PolarHBondContact O-NH1 2.95Å
134R97.3Very high97.7Very high157 Ų15754.3 Ų54.359%0.59226%0.26SS*.Hα-helixtrans-62.3-40.4171.1-178.4-179.6176179.4-1.5111.2E130 M131 R137 R138E130-R134 WeakPolarHBondContact O-CB 3.41Å; E130-R134 PolarHBondContact O-N 3.02Å; M131-R134 WeakPolarHBondContact O-CB 3.48Å; M131-R134 PolarHBondContact O-N 3.44Å; R134-R137 WeakPolarHBondContact O-CB 3.48Å; R134-R137 PolarHBondContact O-N 2.91Å; R134-R138 PolarHBondContact O-N 2.86Å
135E98.3Very high97.6Very high23 Ų2358.9 Ų58.911%0.10728%0.279CS..Hα-helixtrans-68.8-39.4179.1-171.549.3-124.700112.3M89 Y92 P98 M131 L132 Q133 R137 R138 Q139M89-E135 HydrophobicContact CE-CG 3.97Å; M89-E135 HydrophobicContact SD-CB 3.95Å; M89-E135 HydrophobicContact SD-CG 3.69Å; Y92-E135 HydrophobicContact CE1-CG 3.7Å; Y92-E135 WeakPolarHBondContact CE1-OE1 3.5Å; Y92-E135 PolarHBondContact OH-OE1 2.87Å; P98-E135 HydrophobicContact CB-CB 4.43Å; P98-E135 HydrophobicContact CB-CG 3.97Å; P98-E135 HydrophobicContact CG-CB 3.98Å; P98-E135 HydrophobicContact CG-CG 3.65Å; M131-E135 WeakPolarHBondContact O-CB 3.29Å; M131-E135 PolarHBondContact O-N 3.43Å; L132-E135 WeakPolarHBondContact O-CB 3.37Å; L132-E135 PolarHBondContact O-N 3.14Å; Q133-E135 VanDerWaalsContact C-N 3.29Å; E135-R137 VanDerWaalsContact C-N 3.31Å; E135-R137 PolarHBondContact O-N 2.9Å; E135-R138 VanDerWaalsContact CD-NE 3.26Å; E135-R138 WeakPolarHBondContact O-CB 3.22Å; E135-R138 PolarHBondContact O-N 3.44Å; E135-R138 IonicContact OE1-CZ 3.11Å; E135-R138 IonicContact OE1-NE 2.94Å; E135-R138 PolarHBondContact OE1-NE 3.27Å; E135-R138 IonicContact OE1-NH2 2.62Å; E135-R138 PolarHBondContact OE1-NH2 3.41Å; E135-R138 IonicContact OE2-CZ 3.26Å; E135-R138 IonicContact OE2-NE 3.58Å; E135-R138 PolarHBondContact OE2-NE 3.28Å; E135-Q139 WeakPolarHBondContact O-CB 3.46Å; E135-Q139 WeakPolarHBondContact O-CG 3.08Å; E135-Q139 PolarHBondContact O-N 2.76Å; E135-Q139 WeakPolarHBondContact OE1-CG 3.4Å
136C98.2Very high97.5Very high1 Ų159.9 Ų59.91%0.00729%0.287CS..Hα-helixtrans-54.6-43.9168.8-77.90000112.4P98 L132 Q133 Q139 S140 I147P98-C136 VanDerWaalsContact CD-SG 3.57Å; L132-C136 PolarHBondContact O-N 3.14Å; L132-C136 PolarHBondContact O-SG 3.34Å; L132-C136 VanDerWaalsContact O-SG 3.41Å; Q133-C136 WeakPolarHBondContact O-CB 3.48Å; Q133-C136 PolarHBondContact O-N 3.47Å; C136-Q139 PolarHBondContact O-N 3.29Å; C136-S140 WeakPolarHBondContact O-CB 3.36Å; C136-S140 PolarHBondContact O-N 2.8Å; C136-S140 PolarHBondContact O-OG 2.96Å; C136-I147 HydrophobicContact CB-CG2 4.29Å; C136-I147 VanDerWaalsContact CB-O 3.31Å; C136-I147 WeakPolarHBondContact CB-O 3.25Å
137R96.8Very high97.4Very high118 Ų11860.5 Ų60.545%0.44529%0.29SS..Hα-helixtrans-62.9-46.7175.3-69.6-171.7-64.9-86.28.9111.9Q133 R134 E135 Q139 S140 E141Q133-R137 PolarHBondContact O-N 2.99Å; Q133-R137 VanDerWaalsContact O-N 3.17Å; Q133-R137 PolarHBondContact O-NH1 2.95Å; R134-R137 WeakPolarHBondContact O-CB 3.48Å; R134-R137 PolarHBondContact O-N 2.91Å; E135-R137 VanDerWaalsContact C-N 3.31Å; E135-R137 PolarHBondContact O-N 2.9Å; R137-Q139 VanDerWaalsContact C-N 3.31Å; R137-Q139 PolarHBondContact O-N 2.85Å; R137-S140 WeakPolarHBondContact O-CB 3.3Å; R137-S140 PolarHBondContact O-N 3.03Å; R137-E141 PolarHBondContact O-N 3.37Å
138R97.9Very high97.3Very high93 Ų9359.1 Ų59.135%0.35129%0.286SS..Hα-helixtrans-58.6-43177.4-164.2-167.868.564.49.4111.8Y92 R134 E135 S140 E141 K142Y92-R138 PolarHBondContact OH-NH2 3.16Å; R134-R138 PolarHBondContact O-N 2.86Å; E135-R138 VanDerWaalsContact CD-NE 3.26Å; E135-R138 WeakPolarHBondContact O-CB 3.22Å; E135-R138 PolarHBondContact O-N 3.44Å; E135-R138 IonicContact OE1-CZ 3.11Å; E135-R138 IonicContact OE1-NE 2.94Å; E135-R138 PolarHBondContact OE1-NE 3.27Å; E135-R138 IonicContact OE1-NH2 2.62Å; E135-R138 PolarHBondContact OE1-NH2 3.41Å; E135-R138 IonicContact OE2-CZ 3.26Å; E135-R138 IonicContact OE2-NE 3.58Å; E135-R138 PolarHBondContact OE2-NE 3.28Å; R138-S140 VanDerWaalsContact C-N 3.33Å; R138-E141 PolarHBondContact O-N 3.31Å; R138-K142 WeakPolarHBondContact O-CB 3.34Å; R138-K142 PolarHBondContact O-N 2.91Å
139Q98.3Very high97.1Very high5 Ų558.7 Ų58.72%0.02329%0.286CS..Hα-helixtrans-68.1-33.9175.9-74.8-73.210300112.2Y92 G96 E135 C136 R137 K142 L143 I147Y92-Q139 VanDerWaalsContact CD1-CD 3.44Å; Y92-Q139 HydrophobicContact CD1-CG 3.6Å; Y92-Q139 VanDerWaalsContact CD1-NE2 3.3Å; Y92-Q139 VanDerWaalsContact CE1-CD 3.45Å; Y92-Q139 HydrophobicContact CE1-CG 3.41Å; Y92-Q139 VanDerWaalsContact CE1-CG 3.41Å; G96-Q139 WeakPolarHBondContact O-CG 3.17Å; G96-Q139 PolarHBondContact O-NE2 3.44Å; E135-Q139 WeakPolarHBondContact O-CB 3.46Å; E135-Q139 WeakPolarHBondContact O-CG 3.08Å; E135-Q139 PolarHBondContact O-N 2.76Å; E135-Q139 WeakPolarHBondContact OE1-CG 3.4Å; C136-Q139 PolarHBondContact O-N 3.29Å; R137-Q139 VanDerWaalsContact C-N 3.31Å; R137-Q139 PolarHBondContact O-N 2.85Å; Q139-K142 PolarHBondContact O-N 3.49Å; Q139-L143 VanDerWaalsContact O-CB 3.28Å; Q139-L143 WeakPolarHBondContact O-CB 3.31Å; Q139-L143 VanDerWaalsContact O-CG 3.32Å; Q139-L143 WeakPolarHBondContact O-CG 3.44Å; Q139-L143 PolarHBondContact O-N 3.32Å; Q139-I147 HydrophobicContact CB-CB 4.29Å; Q139-I147 HydrophobicContact CB-CG1 4.1Å; Q139-I147 HydrophobicContact CB-CG2 4.3Å
140S97.5Very high97.1Very high25 Ų2557.9 Ų57.918%0.17528%0.283CS..Hα-helixtrans-63.5-45.5175.8-580000112.1C136 R137 R138 G144 K145 I147C136-S140 WeakPolarHBondContact O-CB 3.36Å; C136-S140 PolarHBondContact O-N 2.8Å; C136-S140 PolarHBondContact O-OG 2.96Å; R137-S140 WeakPolarHBondContact O-CB 3.3Å; R137-S140 PolarHBondContact O-N 3.03Å; R138-S140 VanDerWaalsContact C-N 3.33Å; S140-G144 PolarHBondContact O-N 3.22Å; S140-K145 WeakPolarHBondContact CA-O 3.41Å; S140-K145 WeakPolarHBondContact CB-O 3.44Å; S140-K145 PolarHBondContact O-N 2.92Å; S140-I147 WeakPolarHBondContact OG-CB 3.44Å; S140-I147 PolarHBondContact OG-N 2.94Å; S140-I147 PolarHBondContact OG-O 2.94Å
141E97.4Very high97.2Very high157 Ų15757.3 Ų57.373%0.73428%0.28SS*.Hα-helixtrans-62.3-48.2175.1-68.8167.8-170.700111.2R137 R138 L143R137-E141 PolarHBondContact O-N 3.37Å; R138-E141 PolarHBondContact O-N 3.31Å; E141-L143 VanDerWaalsContact C-N 3.31Å; E141-L143 PolarHBondContact O-N 3.27Å
142K98.1Very high97.2Very high145 Ų14555 Ų5563%0.6327%0.269SS*.Hα-helixtrans-60.7-38.6-179.4-178.6-179.1174.7-174.10112.9R138 Q139R138-K142 WeakPolarHBondContact O-CB 3.34Å; R138-K142 PolarHBondContact O-N 2.91Å; Q139-K142 PolarHBondContact O-N 3.49Å
143L97.6Very high97.2Very high75 Ų7554.6 Ų54.639%0.39327%0.267SS..Hα-helixtrans-100.4-6.3-171.5-62.2172.7000113.7Q139 E141 K145 I147Q139-L143 VanDerWaalsContact O-CB 3.28Å; Q139-L143 WeakPolarHBondContact O-CB 3.31Å; Q139-L143 VanDerWaalsContact O-CG 3.32Å; Q139-L143 WeakPolarHBondContact O-CG 3.44Å; Q139-L143 PolarHBondContact O-N 3.32Å; E141-L143 VanDerWaalsContact C-N 3.31Å; E141-L143 PolarHBondContact O-N 3.27Å; L143-K145 HydrophobicContact CB-CG 3.84Å; L143-K145 PolarHBondContact O-N 3.45Å; L143-I147 HydrophobicContact CD1-CD1 4.44Å; L143-I147 HydrophobicContact CD1-CG1 4.37Å
144G96.6Very high97.3Very high76 Ų7655 Ų5578%0.78427%0.267SS*.THydrogen-bonded Turntrans63.224-177.300000113.9S140S140-G144 PolarHBondContact O-N 3.22Å
145K95.2Very high97.3Very high98 Ų9847.9 Ų47.943%0.42624%0.242SC..SBendtrans-141.8152.7179.160.2169168.6168.30111E95 S140 L143 I147E95-K145 VanDerWaalsContact O-CE 3.31Å; E95-K145 WeakPolarHBondContact O-CE 3.48Å; E95-K145 PolarHBondContact O-NZ 3.13Å; S140-K145 WeakPolarHBondContact CA-O 3.41Å; S140-K145 WeakPolarHBondContact CB-O 3.44Å; S140-K145 PolarHBondContact O-N 2.92Å; L143-K145 HydrophobicContact CB-CG 3.84Å; L143-K145 PolarHBondContact O-N 3.45Å; K145-I147 HydrophobicContact CD-CD1 4.22Å; K145-I147 HydrophobicContact CG-CD1 4.2Å; K145-I147 PolarHBondContact O-N 3.36Å
146N95.3Very high97.3Very high61 Ų6147 Ų4733%0.32624%0.238SC..  trans-71112.4-179.6-177.571.1000111.9H36 E148H36-N146 VanDerWaalsContact CG-CG 3.47Å; H36-N146 VanDerWaalsContact ND1-CG 3.34Å; H36-N146 PolarHBondContact ND1-ND2 2.97Å; H36-N146 VanDerWaalsContact ND1-ND2 3.13Å; N146-E148 PolarHBondContact ND2-OE2 3.27Å
147I97.4Very high97.3Very high13 Ų1352.5 Ų52.57%0.06726%0.263CS..  trans-104.8111.2168.4-54.7-58.8000107.3E95 C136 Q139 S140 L143 K145E95-I147 VanDerWaalsContact O-CD1 3.25Å; E95-I147 WeakPolarHBondContact O-CD1 3.46Å; C136-I147 HydrophobicContact CB-CG2 4.29Å; C136-I147 VanDerWaalsContact CB-O 3.31Å; C136-I147 WeakPolarHBondContact CB-O 3.25Å; Q139-I147 HydrophobicContact CB-CB 4.29Å; Q139-I147 HydrophobicContact CB-CG1 4.1Å; Q139-I147 HydrophobicContact CB-CG2 4.3Å; S140-I147 WeakPolarHBondContact OG-CB 3.44Å; S140-I147 PolarHBondContact OG-N 2.94Å; S140-I147 PolarHBondContact OG-O 2.94Å; L143-I147 HydrophobicContact CD1-CD1 4.44Å; L143-I147 HydrophobicContact CD1-CG1 4.37Å; K145-I147 HydrophobicContact CD-CD1 4.22Å; K145-I147 HydrophobicContact CG-CD1 4.2Å; K145-I147 PolarHBondContact O-N 3.36Å
148E94.1Very high97.3Very high22 Ų2249.2 Ų49.210%0.10327%0.266CS..  trans-124.5-6.1-176.266.9-177.8-161.800113.9H36 R43 N146H36-E148 IonicContact ND1-OE2 2.99Å; R43-E148 IonicContact CZ-OE1 3.89Å; R43-E148 IonicContact NH2-OE1 2.62Å; R43-E148 PolarHBondContact NH2-OE1 2.95Å; N146-E148 PolarHBondContact ND2-OE2 3.27Å
149S95.3Very high97.2Very high25 Ų2545.7 Ų45.718%0.17525%0.254CS..  trans-129.4152.9-171.762.10000112.3S97 G186S97-S149 WeakPolarHBondContact CB-O 3.49Å; S97-S149 PolarHBondContact OG-O 3.4Å; S149-G186 VanDerWaalsContact CA-O 3.29Å; S149-G186 WeakPolarHBondContact CA-O 3.27Å
150T97.9Very high96.9Very high4 Ų446.3 Ų46.33%0.02526%0.262CS..EExtended strand (participates in β ladder)trans-117.5148.3-173.154.40000111.4L132 G186 K188L132-T150 HydrophobicContact CB-CG2 3.92Å; L132-T150 HydrophobicContact CD1-CG2 4.38Å; L132-T150 HydrophobicContact CD2-CG2 4.28Å; L132-T150 HydrophobicContact CG-CG2 4.44Å; T150-G186 PolarHBondContact N-O 3.26Å; T150-G186 PolarHBondContact OG1-O 2.98Å; T150-G186 VanDerWaalsContact OG1-O 3.12Å; T150-K188 WeakPolarHBondContact O-CB 3.43Å; T150-K188 PolarHBondContact O-N 3.49Å
151T98.3Very high96.5Very high2 Ų247.7 Ų47.71%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-99.2127.8172.6-73.50000108.6D93 P98 I99 W100 R189 L191D93-T151 PolarHBondContact OD2-OG1 3.2Å; P98-T151 PolarHBondContact O-N 2.68Å; I99-T151 VanDerWaalsContact CA-O 3.28Å; I99-T151 WeakPolarHBondContact CA-O 3.34Å; I99-T151 HydrophobicContact CG1-CG2 4.36Å; I99-T151 HydrophobicContact CG2-CG2 4.46Å; W100-T151 PolarHBondContact N-O 3.47Å; T151-R189 HydrophobicContact CG2-CG 3.9Å; T151-L191 HydrophobicContact CG2-CD1 4.47Å
152L98.5Very high96.2Very high23 Ų2344.7 Ų44.712%0.1225%0.251CS..EExtended strand (participates in β ladder)trans-106.1135.4175.3-49.4-175.5000109.6W100 Y154 L187 R189 V190 L191W100-L152 HydrophobicContact CB-CD2 3.64Å; W100-L152 HydrophobicContact CG-CD2 4.32Å; W100-L152 CarbonylContact O-C 3.49Å; W100-L152 WeakPolarHBondContact O-CA 3.16Å; L152-Y154 HydrophobicContact CB-CD2 4.19Å; L152-Y154 HydrophobicContact CB-CE2 4Å; L152-Y154 HydrophobicContact CD1-CE2 4.14Å; L152-L187 HydrophobicContact CD1-CD1 3.76Å; L152-L187 HydrophobicContact CG-CD1 3.73Å; L152-R189 PolarHBondContact N-O 3.24Å; L152-V190 HydrophobicContact CB-CG1 4.38Å; L152-V190 HydrophobicContact CB-CG2 4.25Å; L152-V190 HydrophobicContact CD1-CG2 4.19Å; L152-V190 CarbonylContact O-C 3.51Å; L152-V190 WeakPolarHBondContact O-CA 3.36Å; L152-L191 PolarHBondContact O-N 3.38Å
153I98.8Very high96Very high0 Ų038.7 Ų38.70%023%0.225CC..EExtended strand (participates in β ladder)trans-115.9118.8171.9-62.1176.6000107.7I99 W100 Y101 D102 L191 I193 L229 I233I99-I153 HydrophobicContact CG2-CD1 3.7Å; I99-I153 HydrophobicContact CG2-CG1 3.98Å; W100-I153 PolarHBondContact O-N 2.87Å; Y101-I153 CarbonylContact C-O 3.56Å; Y101-I153 VanDerWaalsContact CA-O 3.31Å; Y101-I153 WeakPolarHBondContact CA-O 3.26Å; Y101-I153 HydrophobicContact CD1-CB 3.87Å; Y101-I153 HydrophobicContact CD1-CD1 4.31Å; Y101-I153 HydrophobicContact CD1-CG2 3.94Å; Y101-I153 HydrophobicContact CE1-CB 4.01Å; Y101-I153 HydrophobicContact CE1-CD1 3.57Å; Y101-I153 HydrophobicContact CE1-CG1 4.35Å; Y101-I153 HydrophobicContact CE1-CG2 4.04Å; Y101-I153 HydrophobicContact CG-CB 4.48Å; D102-I153 PolarHBondContact N-O 3.39Å; I153-L191 WeakPolarHBondContact CA-O 3.48Å; I153-L191 HydrophobicContact CG1-CB 4.39Å; I153-I193 HydrophobicContact CG2-CD1 4.09Å; I153-I193 HydrophobicContact CG2-CG1 4.47Å; I153-L229 HydrophobicContact CD1-CD1 4.49Å; I153-L229 HydrophobicContact CD1-CD2 3.9Å; I153-L229 HydrophobicContact CG1-CD2 4.35Å; I153-I233 HydrophobicContact CD1-CD1 3.74Å
154Y98.4Very high95.7Very high31 Ų3135.6 Ų35.612%0.12221%0.209CC..EExtended strand (participates in β ladder)trans-105.6108.6178-87.9-113.6000108.5D102 I104 L152 C156 Y172 V190 L191 L192 I193D102-Y154 HydrophobicContact CB-CD1 4.11Å; D102-Y154 HydrophobicContact CB-CD2 4.35Å; D102-Y154 HydrophobicContact CB-CE1 3.94Å; D102-Y154 HydrophobicContact CB-CE2 4.16Å; D102-Y154 HydrophobicContact CB-CG 4.3Å; D102-Y154 WeakPolarHBondContact OD2-CE2 3.4Å; D102-Y154 PolarHBondContact OD2-OH 2.87Å; I104-Y154 HydrophobicContact CD1-CD1 3.94Å; I104-Y154 HydrophobicContact CD1-CE1 4.18Å; I104-Y154 HydrophobicContact CG1-CD1 4.31Å; L152-Y154 HydrophobicContact CB-CD2 4.19Å; L152-Y154 HydrophobicContact CB-CE2 4Å; L152-Y154 HydrophobicContact CD1-CE2 4.14Å; Y154-C156 PolarHBondContact O-N 2.93Å; Y154-Y172 WeakPolarHBondContact CE1-OH 3.34Å; Y154-Y172 PolarHBondContact OH-OH 3.47Å; Y154-V190 HydrophobicContact CD2-CG1 3.7Å; Y154-V190 HydrophobicContact CE2-CG1 4.23Å; Y154-V190 HydrophobicContact CG-CG1 4.34Å; Y154-L191 PolarHBondContact N-O 3.49Å; Y154-L192 HydrophobicContact CD1-CD2 4.39Å; Y154-L192 HydrophobicContact CG-CD2 4.06Å; Y154-I193 PolarHBondContact O-N 3.28Å
155D98.5Very high95.4Very high9 Ų933.2 Ų33.25%0.04818%0.177CC..EExtended strand (participates in β ladder)trans-81.699.5171.1-174.4-13.6000109.2D102 V103 I104 E157 I193 K194 Y242D102-D155 PolarHBondContact O-N 2.95Å; V103-D155 HydrophobicContact CG1-CB 4.33Å; I104-D155 WeakPolarHBondContact CB-O 3.47Å; I104-D155 WeakPolarHBondContact CG1-O 3.39Å; I104-D155 PolarHBondContact N-O 2.9Å; D155-E157 VanDerWaalsContact C-N 3.31Å; D155-E157 VanDerWaalsContact OD1-CB 3.28Å; D155-E157 WeakPolarHBondContact OD1-CB 3.41Å; D155-E157 PolarHBondContact OD1-N 3.35Å; D155-I193 HydrophobicContact CB-CD1 4.19Å; D155-I193 HydrophobicContact CB-CG1 4.16Å; D155-K194 VanDerWaalsContact CG-CE 3.41Å; D155-K194 WeakPolarHBondContact OD1-CE 3.5Å; D155-K194 IonicContact OD1-NZ 2.74Å; D155-K194 PolarHBondContact OD1-NZ 3.3Å; D155-K194 WeakPolarHBondContact OD2-CE 3.32Å; D155-K194 IonicContact OD2-NZ 2.6Å; D155-K194 PolarHBondContact OD2-NZ 3.34Å; D155-Y242 HydrophobicContact CB-CE1 4.26Å; D155-Y242 WeakPolarHBondContact OD2-CE1 3.36Å; D155-Y242 PolarHBondContact OD2-OH 3.43Å; D155-Y242 VanDerWaalsContact OD2-OH 3.07Å
156C98.1Very high95Very high4 Ų430.6 Ų30.63%0.02717%0.165CC..  trans-895.7-177.4-66.60000113.5Y154 G158 L159 L192 I193 K194 A195 P196Y154-C156 PolarHBondContact O-N 2.93Å; C156-G158 PolarHBondContact O-N 3.37Å; C156-L159 HydrophobicContact CB-CB 4.48Å; C156-L159 WeakPolarHBondContact O-CB 3.4Å; C156-L159 PolarHBondContact O-N 2.99Å; C156-L192 WeakPolarHBondContact SG-CD2 3.36Å; C156-I193 WeakPolarHBondContact CB-O 3.38Å; C156-I193 PolarHBondContact N-O 3.1Å; C156-K194 CarbonylContact C-O 3.51Å; C156-A195 HydrophobicContact CB-CB 4.33Å; C156-P196 WeakPolarHBondContact O-CD 3.33Å
157E97.3Very high94.7Very high116 Ų11628.1 Ų28.154%0.54215%0.152SC..THydrogen-bonded Turntrans-58.8129.3175-173.3174.1-165.500109.7G105 D155 L159 K194G105-E157 WeakPolarHBondContact CA-O 3.47Å; G105-E157 PolarHBondContact N-O 3.02Å; G105-E157 VanDerWaalsContact N-O 3.16Å; D155-E157 VanDerWaalsContact C-N 3.31Å; D155-E157 VanDerWaalsContact OD1-CB 3.28Å; D155-E157 WeakPolarHBondContact OD1-CB 3.41Å; D155-E157 PolarHBondContact OD1-N 3.35Å; E157-L159 VanDerWaalsContact C-N 3.29Å; E157-L159 PolarHBondContact O-N 2.98Å; E157-K194 HydrophobicContact CB-CB 3.92Å; E157-K194 HydrophobicContact CB-CD 4.04Å; E157-K194 PolarHBondContact N-O 2.9Å; E157-K194 WeakPolarHBondContact OE2-CD 3.36Å; E157-K194 WeakPolarHBondContact OE2-CE 3.46Å; E157-K194 IonicContact OE2-NZ 3.46Å; E157-K194 PolarHBondContact OE2-NZ 3.2Å
158G96Very high94.5Very high49 Ų4928.1 Ų28.151%0.50516%0.155SC..THydrogen-bonded Turntrans77.75.3-176.300000115.2G105 C156 G160 H163G105-G158 VanDerWaalsContact CA-C 3.46Å; G105-G158 WeakPolarHBondContact CA-O 3.43Å; C156-G158 PolarHBondContact O-N 3.37Å; G158-G160 PolarHBondContact O-N 3.14Å; G158-H163 PolarHBondContact O-CE1 3.47Å; G158-H163 VanDerWaalsContact O-CE1 3.28Å
159L96.3Very high94.5Very high20 Ų2028.3 Ų28.311%0.10516%0.156CC..  trans-52.2132.4164.6173.370.3000108.9I104 C156 E157 H163 P196 M198 F199 A202I104-L159 HydrophobicContact CG2-CB 4.24Å; I104-L159 HydrophobicContact CG2-CD1 3.81Å; C156-L159 HydrophobicContact CB-CB 4.48Å; C156-L159 WeakPolarHBondContact O-CB 3.4Å; C156-L159 PolarHBondContact O-N 2.99Å; E157-L159 VanDerWaalsContact C-N 3.29Å; E157-L159 PolarHBondContact O-N 2.98Å; L159-H163 HydrophobicContact CD1-CB 3.75Å; L159-P196 HydrophobicContact CB-CG 3.78Å; L159-P196 HydrophobicContact CD2-CG 4.23Å; L159-P196 HydrophobicContact CG-CG 4.29Å; L159-M198 HydrophobicContact CG-CE 4.35Å; L159-M198 HydrophobicContact CG-CG 4.43Å; L159-F199 HydrophobicContact CD2-CB 4.16Å; L159-F199 HydrophobicContact CD2-CD2 4.11Å; L159-A202 HydrophobicContact CD1-CB 4.46Å; L159-A202 HydrophobicContact CD2-CB 4.07Å
160G91.8Very high94.3Very high17 Ų1730.8 Ų30.818%0.17517%0.165CC..  trans-159.9165.9-155.200000111.8G158 K162 H163 M198G158-G160 PolarHBondContact O-N 3.14Å; G160-K162 PolarHBondContact O-N 2.92Å; G160-K162 VanDerWaalsContact O-N 3.12Å; G160-H163 PolarHBondContact N-ND1 3.34Å; G160-H163 WeakPolarHBondContact O-CB 3.21Å; G160-H163 PolarHBondContact O-N 3.4Å; G160-H163 PolarHBondContact O-ND1 2.93Å; G160-M198 VanDerWaalsContact C-SD 3.59Å; G160-M198 WeakPolarHBondContact CA-SD 3.44Å; G160-M198 PolarHBondContact N-SD 2.99Å; G160-M198 VanDerWaalsContact N-SD 3.43Å; G160-M198 WeakPolarHBondContact O-CE 3.35Å
161L89.5Confident94.2Very high54 Ų5431.1 Ų31.128%0.28317%0.167SC..G310 helixtrans-57.8-30.2-175.1-62.4168.7000113.5H163 I164 M198 L303 W353L161-H163 PolarHBondContact O-N 3.41Å; L161-H163 VanDerWaalsContact O-N 3.11Å; L161-I164 HydrophobicContact CD2-CD1 3.79Å; L161-I164 HydrophobicContact CD2-CG1 4.44Å; L161-I164 WeakPolarHBondContact O-CG1 3.5Å; L161-I164 PolarHBondContact O-N 3.19Å; L161-I164 VanDerWaalsContact O-N 3.16Å; L161-M198 HydrophobicContact CD2-CE 4.41Å; L161-L303 HydrophobicContact CD2-CD1 3.52Å; L161-L303 HydrophobicContact CD2-CD2 4.26Å; L161-W353 HydrophobicContact CB-CH2 4.27Å; L161-W353 HydrophobicContact CB-CZ2 3.49Å; L161-W353 VanDerWaalsContact CB-CZ2 3.49Å; L161-W353 HydrophobicContact CD1-CZ2 4.13Å; L161-W353 HydrophobicContact CG-CZ2 4.4Å
162K91.4Very high94.1Very high95 Ų9534.4 Ų34.441%0.41318%0.179SC..G310 helixtrans-57.1-25173.166.4174.1-179.9163.90114.3G105 L107 G160G105-K162 VanDerWaalsContact O-CE 3.28Å; G105-K162 WeakPolarHBondContact O-CE 3.33Å; G105-K162 PolarHBondContact O-NZ 2.81Å; L107-K162 WeakPolarHBondContact O-CE 3.37Å; L107-K162 PolarHBondContact O-NZ 3.05Å; G160-K162 PolarHBondContact O-N 2.92Å; G160-K162 VanDerWaalsContact O-N 3.12Å
163H94.7Very high94Very high18 Ų1833.3 Ų33.38%0.08317%0.174CC..G310 helixtrans-86.4-20.5-177.6-51.895.6000113.1I104 G158 L159 G160 L161 W165I104-H163 PolarHBondContact O-NE2 3.31Å; G158-H163 PolarHBondContact O-CE1 3.47Å; G158-H163 VanDerWaalsContact O-CE1 3.28Å; L159-H163 HydrophobicContact CD1-CB 3.75Å; G160-H163 PolarHBondContact N-ND1 3.34Å; G160-H163 WeakPolarHBondContact O-CB 3.21Å; G160-H163 PolarHBondContact O-N 3.4Å; G160-H163 PolarHBondContact O-ND1 2.93Å; L161-H163 PolarHBondContact O-N 3.41Å; L161-H163 VanDerWaalsContact O-N 3.11Å; H163-W165 VanDerWaalsContact C-N 3.27Å
164I91.1Very high93.9Very high10 Ų1037.3 Ų37.35%0.05119%0.192CC..G310 helixtrans-94.416.1176.363.7166.1000112.1L161 K166 I169 M198 M201 A202 L205 L303 R305L161-I164 HydrophobicContact CD2-CD1 3.79Å; L161-I164 HydrophobicContact CD2-CG1 4.44Å; L161-I164 WeakPolarHBondContact O-CG1 3.5Å; L161-I164 PolarHBondContact O-N 3.19Å; L161-I164 VanDerWaalsContact O-N 3.16Å; I164-K166 PolarHBondContact O-N 2.91Å; I164-I169 HydrophobicContact CB-CG1 4.48Å; I164-I169 HydrophobicContact CG2-CD1 4.45Å; I164-M198 HydrophobicContact CG2-CE 4.3Å; I164-M201 HydrophobicContact CD1-SD 4.2Å; I164-A202 HydrophobicContact CG2-CB 3.88Å; I164-L205 HydrophobicContact CB-CD1 3.73Å; I164-L205 HydrophobicContact CG2-CD1 3.77Å; I164-L303 HydrophobicContact CD1-CD1 3.39Å; I164-R305 PolarHBondContact O-NH1 3.37Å
165W89.9Confident93.8Very high27 Ų2736.6 Ų36.610%0.10219%0.191CC..  trans-58.6130.1170.7-179.948.7000110.2K110 L113 H163 P167 A168 I169 L275 D351K110-W165 HydrophobicContact CB-CE3 4.38Å; K110-W165 HydrophobicContact CB-CH2 4.45Å; K110-W165 HydrophobicContact CB-CZ3 4.1Å; K110-W165 HydrophobicContact CG-CH2 4.08Å; K110-W165 HydrophobicContact CG-CZ3 4.24Å; L113-W165 HydrophobicContact CB-CH2 4.44Å; L113-W165 HydrophobicContact CB-CZ3 4.02Å; L113-W165 HydrophobicContact CD1-CE3 4.07Å; L113-W165 HydrophobicContact CD1-CH2 4.35Å; L113-W165 HydrophobicContact CD1-CZ3 3.51Å; L113-W165 HydrophobicContact CG-CZ3 4.3Å; H163-W165 VanDerWaalsContact C-N 3.27Å; W165-P167 HydrophobicContact CD2-CB 4.19Å; W165-P167 HydrophobicContact CD2-CG 4.04Å; W165-P167 VanDerWaalsContact CE2-CD 3.45Å; W165-P167 HydrophobicContact CE3-CB 4.12Å; W165-P167 HydrophobicContact CE3-CG 4.45Å; W165-P167 HydrophobicContact CH2-CB 3.98Å; W165-P167 HydrophobicContact CH2-CG 4.07Å; W165-P167 HydrophobicContact CZ2-CB 4Å; W165-P167 HydrophobicContact CZ2-CG 3.58Å; W165-P167 HydrophobicContact CZ3-CB 4.01Å; W165-P167 HydrophobicContact CZ3-CG 4.46Å; W165-A168 HydrophobicContact CB-CB 4.3Å; W165-A168 HydrophobicContact CE3-CB 4.04Å; W165-A168 WeakPolarHBondContact O-CA 3.47Å; W165-A168 WeakPolarHBondContact O-CB 3.12Å; W165-A168 PolarHBondContact O-N 2.84Å; W165-I169 PolarHBondContact O-N 3.35Å; W165-L275 HydrophobicContact CH2-CD1 3.2Å; W165-L275 HydrophobicContact CH2-CG 3.93Å; W165-L275 HydrophobicContact CZ2-CD1 3.78Å; W165-L275 HydrophobicContact CZ2-CG 4.42Å; W165-L275 HydrophobicContact CZ3-CD1 3.97Å; W165-D351 PolarHBondContact NE1-OD2 2.95Å
166K86.8Confident93.7Very high42 Ų4237.1 Ų37.118%0.18319%0.194CC..Hα-helixtrans-52.6-50.2-169.2-179.2175.6177.71790112.8I164 A168 I169 E170 D280 N381I164-K166 PolarHBondContact O-N 2.91Å; K166-A168 VanDerWaalsContact C-N 3.28Å; K166-A168 PolarHBondContact O-N 3.41Å; K166-I169 PolarHBondContact O-N 3Å; K166-E170 WeakPolarHBondContact CE-OE1 3.45Å; K166-E170 HydrophobicContact CG-CG 4.38Å; K166-E170 WeakPolarHBondContact CG-OE1 3.47Å; K166-E170 WeakPolarHBondContact O-CG 3.38Å; K166-E170 PolarHBondContact O-N 3.34Å; K166-D280 IonicContact NZ-OD2 3.83Å; K166-N381 PolarHBondContact NZ-ND2 3.49Å
167P89.7Confident93.7Very high9 Ų939.5 Ų39.56%0.05821%0.209CC..Hα-helixtrans-59.8-32.8176-27.837.8000114.7L113 W165 T171 L275L113-P167 HydrophobicContact CD1-CB 4.03Å; W165-P167 HydrophobicContact CD2-CB 4.19Å; W165-P167 HydrophobicContact CD2-CG 4.04Å; W165-P167 VanDerWaalsContact CE2-CD 3.45Å; W165-P167 HydrophobicContact CE3-CB 4.12Å; W165-P167 HydrophobicContact CE3-CG 4.45Å; W165-P167 HydrophobicContact CH2-CB 3.98Å; W165-P167 HydrophobicContact CH2-CG 4.07Å; W165-P167 HydrophobicContact CZ2-CB 4Å; W165-P167 HydrophobicContact CZ2-CG 3.58Å; W165-P167 HydrophobicContact CZ3-CB 4.01Å; W165-P167 HydrophobicContact CZ3-CG 4.46Å; P167-T171 WeakPolarHBondContact O-CB 3.41Å; P167-T171 PolarHBondContact O-N 3.24Å; P167-T171 PolarHBondContact O-OG1 2.87Å; P167-L275 HydrophobicContact CB-CD1 3.5Å; P167-L275 VanDerWaalsContact CB-CD1 3.5Å; P167-L275 HydrophobicContact CG-CD1 3.9Å
168A92.9Very high93.7Very high14 Ų1434.7 Ų34.712%0.11619%0.186CC..Hα-helixtrans-70.7-44.8175.900000111.4P109 L113 W165 K166 T171 Y172P109-A168 HydrophobicContact CB-CB 3.61Å; P109-A168 HydrophobicContact CG-CB 4.43Å; L113-A168 HydrophobicContact CD1-CB 4.32Å; W165-A168 HydrophobicContact CB-CB 4.3Å; W165-A168 HydrophobicContact CE3-CB 4.04Å; W165-A168 WeakPolarHBondContact O-CA 3.47Å; W165-A168 WeakPolarHBondContact O-CB 3.12Å; W165-A168 PolarHBondContact O-N 2.84Å; K166-A168 VanDerWaalsContact C-N 3.28Å; K166-A168 PolarHBondContact O-N 3.41Å; A168-T171 PolarHBondContact O-N 3.21Å; A168-Y172 WeakPolarHBondContact O-CB 3.28Å; A168-Y172 PolarHBondContact O-N 3.44Å
169I92.9Very high93.7Very high25 Ų2534.1 Ų34.113%0.12817%0.169CC..Hα-helixtrans-61-45.3176-68.5-64.6000111I164 W165 K166 Y172 G173 L205 I206I164-I169 HydrophobicContact CB-CG1 4.48Å; I164-I169 HydrophobicContact CG2-CD1 4.45Å; W165-I169 PolarHBondContact O-N 3.35Å; K166-I169 PolarHBondContact O-N 3Å; I169-Y172 PolarHBondContact O-N 3.41Å; I169-G173 PolarHBondContact O-N 2.96Å; I169-L205 HydrophobicContact CD1-CB 4.26Å; I169-L205 HydrophobicContact CD1-CD1 4.34Å; I169-L205 HydrophobicContact CG1-CD1 4.38Å; I169-L205 HydrophobicContact CG2-CB 4.23Å; I169-I206 HydrophobicContact CD1-CG2 3.91Å; I169-I206 HydrophobicContact CG2-CG2 4.27Å
170E91.6Very high93.7Very high78 Ų7834.3 Ų34.336%0.36417%0.169SC..Hα-helixtrans-61.6-47.3176.7-72172.9179.200111.6K118 K166 Y172 G173 E174K118-E170 IonicContact NZ-OE2 3.73Å; K166-E170 WeakPolarHBondContact CE-OE1 3.45Å; K166-E170 HydrophobicContact CG-CG 4.38Å; K166-E170 WeakPolarHBondContact CG-OE1 3.47Å; K166-E170 WeakPolarHBondContact O-CG 3.38Å; K166-E170 PolarHBondContact O-N 3.34Å; E170-Y172 VanDerWaalsContact C-N 3.33Å; E170-Y172 PolarHBondContact O-N 3.29Å; E170-G173 PolarHBondContact O-N 3.41Å; E170-E174 WeakPolarHBondContact O-CG 3.39Å; E170-E174 PolarHBondContact O-N 3.26Å
171T94.8Very high93.9Very high10 Ų1037.2 Ų37.26%0.06118%0.181CC..Hα-helixtrans-62.5-41.4179.1-54.20000111.4L113 K118 F121 P167 A168 E174 V175L113-T171 HydrophobicContact CD2-CG2 4.16Å; K118-T171 HydrophobicContact CB-CG2 4.41Å; K118-T171 VanDerWaalsContact CE-OG1 3.31Å; K118-T171 WeakPolarHBondContact CE-OG1 3.35Å; K118-T171 HydrophobicContact CG-CG2 4.09Å; F121-T171 HydrophobicContact CB-CG2 4.39Å; P167-T171 WeakPolarHBondContact O-CB 3.41Å; P167-T171 PolarHBondContact O-N 3.24Å; P167-T171 PolarHBondContact O-OG1 2.87Å; A168-T171 PolarHBondContact O-N 3.21Å; T171-E174 PolarHBondContact O-N 3.23Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; T171-V175 PolarHBondContact O-N 3.45Å
172Y96.4Very high94.3Very high71 Ų7135.2 Ų35.228%0.27817%0.17SC..Hα-helixtrans-69-37176.5-170.1-113.1000111.8Y154 A168 I169 E170 E174 V175 L176 I206Y154-Y172 WeakPolarHBondContact CE1-OH 3.34Å; Y154-Y172 PolarHBondContact OH-OH 3.47Å; A168-Y172 WeakPolarHBondContact O-CB 3.28Å; A168-Y172 PolarHBondContact O-N 3.44Å; I169-Y172 PolarHBondContact O-N 3.41Å; E170-Y172 VanDerWaalsContact C-N 3.33Å; E170-Y172 PolarHBondContact O-N 3.29Å; Y172-E174 PolarHBondContact O-N 3.15Å; Y172-V175 WeakPolarHBondContact O-CB 3.38Å; Y172-V175 PolarHBondContact O-N 3.12Å; Y172-V175 VanDerWaalsContact O-N 3.15Å; Y172-L176 HydrophobicContact CD1-CD1 3.85Å; Y172-L176 HydrophobicContact CD1-CG 4.17Å; Y172-L176 HydrophobicContact CE1-CD1 3.67Å; Y172-L176 HydrophobicContact CE1-CD2 4.11Å; Y172-L176 HydrophobicContact CE1-CG 3.96Å; Y172-L176 WeakPolarHBondContact O-CG 3.48Å; Y172-L176 PolarHBondContact O-N 2.99Å; Y172-I206 HydrophobicContact CD1-CG2 4.16Å
173G96.5Very high94.6Very high0 Ų031 Ų310%015%0.152CC..Hα-helixtrans-57.7-45.3171.600000112.7I169 E170 V175 L176 T177 F209I169-G173 PolarHBondContact O-N 2.96Å; E170-G173 PolarHBondContact O-N 3.41Å; G173-V175 VanDerWaalsContact C-N 3.29Å; G173-V175 PolarHBondContact O-N 3Å; G173-L176 PolarHBondContact O-N 3.49Å; G173-L176 VanDerWaalsContact O-N 3.16Å; G173-T177 PolarHBondContact O-N 2.98Å; G173-T177 PolarHBondContact O-OG1 2.99Å; G173-F209 VanDerWaalsContact CA-CD2 3.48Å
174E96.4Very high94.7Very high84 Ų8430.4 Ų30.439%0.39315%0.15SC..Hα-helixtrans-58.7-39.7174-70171-142.500112K118 E170 T171 Y172 M178K118-E174 IonicContact NZ-OE1 2.93Å; K118-E174 PolarHBondContact NZ-OE1 3.05Å; E170-E174 WeakPolarHBondContact O-CG 3.39Å; E170-E174 PolarHBondContact O-N 3.26Å; T171-E174 PolarHBondContact O-N 3.23Å; Y172-E174 PolarHBondContact O-N 3.15Å; E174-M178 WeakPolarHBondContact O-CB 3.16Å; E174-M178 PolarHBondContact O-N 3.47Å
175V96.9Very high94.8Very high17 Ų1731.4 Ų31.410%0.10315%0.154CC..Hα-helixtrans-65.2-44.4174.7170.40000111.4L122 K125 T171 Y172 G173 M178 Y179L122-V175 HydrophobicContact CD1-CG2 4.15Å; K125-V175 HydrophobicContact CB-CG1 3.9Å; K125-V175 HydrophobicContact CG-CG1 3.87Å; K125-V175 HydrophobicContact CG-CG2 4.31Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; T171-V175 PolarHBondContact O-N 3.45Å; Y172-V175 WeakPolarHBondContact O-CB 3.38Å; Y172-V175 PolarHBondContact O-N 3.12Å; Y172-V175 VanDerWaalsContact O-N 3.15Å; G173-V175 VanDerWaalsContact C-N 3.29Å; G173-V175 PolarHBondContact O-N 3Å; V175-M178 PolarHBondContact O-N 3.12Å; V175-Y179 PolarHBondContact O-N 3.21Å
176L97Very high94.9Very high19 Ų1930.1 Ų30.110%0.09915%0.149CC..Hα-helixtrans-64.2-45.1178.4-68.9177.1000111.6Y172 G173 M178 Y179 E180 I206 F209 L210Y172-L176 HydrophobicContact CD1-CD1 3.85Å; Y172-L176 HydrophobicContact CD1-CG 4.17Å; Y172-L176 HydrophobicContact CE1-CD1 3.67Å; Y172-L176 HydrophobicContact CE1-CD2 4.11Å; Y172-L176 HydrophobicContact CE1-CG 3.96Å; Y172-L176 WeakPolarHBondContact O-CG 3.48Å; Y172-L176 PolarHBondContact O-N 2.99Å; G173-L176 PolarHBondContact O-N 3.49Å; G173-L176 VanDerWaalsContact O-N 3.16Å; L176-M178 PolarHBondContact O-N 2.95Å; L176-Y179 WeakPolarHBondContact O-CB 3.44Å; L176-Y179 PolarHBondContact O-N 3.42Å; L176-Y179 VanDerWaalsContact O-N 3.15Å; L176-E180 WeakPolarHBondContact O-CG 3.36Å; L176-E180 PolarHBondContact O-N 3.13Å; L176-I206 HydrophobicContact CD1-CB 4.08Å; L176-I206 HydrophobicContact CD1-CD1 4.15Å; L176-F209 HydrophobicContact CB-CB 3.86Å; L176-F209 HydrophobicContact CD1-CB 4.12Å; L176-L210 HydrophobicContact CB-CD2 4.26Å; L176-L210 HydrophobicContact CD1-CD2 3.85Å; L176-L210 HydrophobicContact CD1-CG 4.41Å; L176-L210 HydrophobicContact CD2-CD2 3.83Å; L176-L210 HydrophobicContact CG-CD2 4.19Å
177T96.9Very high95.4Very high55 Ų5528.5 Ų28.534%0.33714%0.143SC..Hα-helixtrans-60.7-45.4175.4-60.70000111.2G173 Y179 E180 D181 F209G173-T177 PolarHBondContact O-N 2.98Å; G173-T177 PolarHBondContact O-OG1 2.99Å; T177-Y179 VanDerWaalsContact C-N 3.27Å; T177-Y179 PolarHBondContact O-N 3.01Å; T177-E180 PolarHBondContact O-N 3.07Å; T177-D181 WeakPolarHBondContact O-CB 3.48Å; T177-D181 PolarHBondContact O-N 3.3Å; T177-F209 WeakPolarHBondContact OG1-CD1 3.17Å
178M97.6Very high95.7Very high15 Ų1529.8 Ų29.87%0.07415%0.147CC..Hα-helixtrans-57.6-42.4174.6177.4-78.3-59.800111.5F62 L122 I126 I129 E174 V175 L176 N182 Y183F62-M178 HydrophobicContact CE2-CG 3.65Å; F62-M178 HydrophobicContact CE2-SD 4.25Å; F62-M178 HydrophobicContact CZ-CG 3.83Å; F62-M178 HydrophobicContact CZ-SD 3.79Å; L122-M178 HydrophobicContact CD1-CB 3.75Å; L122-M178 HydrophobicContact CD1-CE 3.93Å; L122-M178 HydrophobicContact CD1-CG 3.84Å; I126-M178 HydrophobicContact CD1-CG 4.45Å; I126-M178 HydrophobicContact CD1-SD 4.28Å; I126-M178 HydrophobicContact CG1-CE 3.61Å; I126-M178 HydrophobicContact CG1-CG 4.4Å; I126-M178 HydrophobicContact CG1-SD 3.63Å; I129-M178 HydrophobicContact CD1-CE 3.95Å; E174-M178 WeakPolarHBondContact O-CB 3.16Å; E174-M178 PolarHBondContact O-N 3.47Å; V175-M178 PolarHBondContact O-N 3.12Å; L176-M178 PolarHBondContact O-N 2.95Å; M178-N182 WeakPolarHBondContact O-CB 3.33Å; M178-N182 PolarHBondContact O-N 3.06Å; M178-N182 PolarHBondContact O-ND2 3.27Å; M178-Y183 HydrophobicContact SD-CD2 4.24Å; M178-Y183 HydrophobicContact SD-CE2 3.74Å
179Y97.4Very high95.8Very high36 Ų3632.1 Ų32.114%0.14115%0.153CC..Hα-helixtrans-61.2-51.9177.9-178.5-95.7000112.1I129 V175 L176 T177 D181 N182 Y183 L187I129-Y179 HydrophobicContact CD1-CD2 3.67Å; I129-Y179 HydrophobicContact CD1-CE2 4.32Å; I129-Y179 HydrophobicContact CG1-CD2 4.19Å; I129-Y179 HydrophobicContact CG1-CE2 4.36Å; I129-Y179 HydrophobicContact CG2-CE2 4.48Å; V175-Y179 PolarHBondContact O-N 3.21Å; L176-Y179 WeakPolarHBondContact O-CB 3.44Å; L176-Y179 PolarHBondContact O-N 3.42Å; L176-Y179 VanDerWaalsContact O-N 3.15Å; T177-Y179 VanDerWaalsContact C-N 3.27Å; T177-Y179 PolarHBondContact O-N 3.01Å; Y179-D181 VanDerWaalsContact C-N 3.31Å; Y179-D181 PolarHBondContact O-N 3.45Å; Y179-N182 PolarHBondContact O-N 3.42Å; Y179-Y183 HydrophobicContact CD2-CD2 4.14Å; Y179-Y183 HydrophobicContact CD2-CG 4.36Å; Y179-Y183 HydrophobicContact CE2-CG 4.47Å; Y179-Y183 WeakPolarHBondContact O-CA 3.39Å; Y179-Y183 WeakPolarHBondContact O-CB 3.34Å; Y179-Y183 PolarHBondContact O-N 3.44Å; Y179-L187 HydrophobicContact CE1-CB 4.42Å; Y179-L187 WeakPolarHBondContact OH-CB 3.23Å; Y179-L187 PolarHBondContact OH-N 3.26Å
180E95.8Very high96.1Very high24 Ų2431.5 Ų31.511%0.11215%0.151CC..Hα-helixtrans-61.8-36.4-178.6-70.6-75.8-166.400112.9M55 L176 T177 C211 T214M55-E180 VanDerWaalsContact CE-O 3.29Å; M55-E180 WeakPolarHBondContact CE-O 3.09Å; L176-E180 WeakPolarHBondContact O-CG 3.36Å; L176-E180 PolarHBondContact O-N 3.13Å; T177-E180 PolarHBondContact O-N 3.07Å; E180-C211 PolarHBondContact OE1-N 3.15Å; E180-C211 PolarHBondContact OE1-SG 3.24Å; E180-C211 PolarHBondContact OE2-SG 3.28Å; E180-T214 WeakPolarHBondContact OE1-CB 3.38Å; E180-T214 PolarHBondContact OE1-OG1 2.9Å; E180-T214 PolarHBondContact OE2-OG1 2.8Å
181D96.5Very high96.3Very high79 Ų7928 Ų2842%0.42213%0.134SC..Hα-helixtrans-77.2-26.9-179-79.7-19.2000113.4M55 T177 Y179M55-D181 VanDerWaalsContact CE-O 3.22Å; M55-D181 WeakPolarHBondContact CE-O 3.27Å; T177-D181 WeakPolarHBondContact O-CB 3.48Å; T177-D181 PolarHBondContact O-N 3.3Å; Y179-D181 VanDerWaalsContact C-N 3.31Å; Y179-D181 PolarHBondContact O-N 3.45Å
182N98.1Very high96.5Very high11 Ų1127.9 Ų27.96%0.05913%0.134CC..Hα-helixtrans-119.6-17.3-167.9-66.2-74.7000115.3H59 F62 M178 Y179 P184H59-N182 PolarHBondContact CE1-O 2.83Å; H59-N182 PolarHBondContact ND1-O 3.36Å; H59-N182 PolarHBondContact ND1-OD1 3.31Å; H59-N182 VanDerWaalsContact ND1-OD1 3.13Å; F62-N182 WeakPolarHBondContact CB-OD1 3.24Å; F62-N182 HydrophobicContact CD1-CB 4Å; F62-N182 WeakPolarHBondContact CD1-OD1 3.3Å; F62-N182 HydrophobicContact CE1-CB 3.84Å; F62-N182 WeakPolarHBondContact CG-OD1 3.41Å; F62-N182 HydrophobicContact CZ-CB 4.36Å; M178-N182 WeakPolarHBondContact O-CB 3.33Å; M178-N182 PolarHBondContact O-N 3.06Å; M178-N182 PolarHBondContact O-ND2 3.27Å; Y179-N182 PolarHBondContact O-N 3.42Å; N182-P184 WeakPolarHBondContact O-CD 3.32Å
183Y96.9Very high96.5Very high6 Ų624.5 Ų24.52%0.02412%0.12CC..SBendtrans-126.250.5-178-59.3-79.2000112.3I129 E130 M178 Y179 E185 G186I129-Y183 HydrophobicContact CB-CE1 4.28Å; I129-Y183 HydrophobicContact CB-CE2 4.31Å; I129-Y183 HydrophobicContact CD1-CD2 4Å; I129-Y183 HydrophobicContact CD1-CE2 3.85Å; I129-Y183 HydrophobicContact CG2-CD1 3.36Å; I129-Y183 HydrophobicContact CG2-CD2 3.91Å; I129-Y183 HydrophobicContact CG2-CE1 3.37Å; I129-Y183 HydrophobicContact CG2-CE2 3.91Å; I129-Y183 HydrophobicContact CG2-CG 3.63Å; E130-Y183 WeakPolarHBondContact OE1-CE1 3.43Å; E130-Y183 PolarHBondContact OE1-OH 3.21Å; M178-Y183 HydrophobicContact SD-CD2 4.24Å; M178-Y183 HydrophobicContact SD-CE2 3.74Å; Y179-Y183 HydrophobicContact CD2-CD2 4.14Å; Y179-Y183 HydrophobicContact CD2-CG 4.36Å; Y179-Y183 HydrophobicContact CE2-CG 4.47Å; Y179-Y183 WeakPolarHBondContact O-CA 3.39Å; Y179-Y183 WeakPolarHBondContact O-CB 3.34Å; Y179-Y183 PolarHBondContact O-N 3.44Å; Y183-E185 PolarHBondContact O-N 2.92Å; Y183-G186 PolarHBondContact O-N 3.4Å
184P95.7Very high96.5Very high6 Ų627 Ų274%0.03913%0.131CC..THydrogen-bonded Turntrans-57.3143.5-179.623.8-32.3000111R40 W41 A44 M55 N182 G186R40-P184 PolarHBondContact NH1-O 2.89Å; W41-P184 HydrophobicContact CD2-CG 3.93Å; W41-P184 HydrophobicContact CE3-CG 3.63Å; W41-P184 HydrophobicContact CH2-CG 3.99Å; W41-P184 HydrophobicContact CZ2-CG 4.31Å; W41-P184 HydrophobicContact CZ3-CG 3.66Å; A44-P184 HydrophobicContact CB-CB 3.46Å; A44-P184 VanDerWaalsContact CB-CB 3.46Å; M55-P184 HydrophobicContact CE-CB 3.81Å; M55-P184 HydrophobicContact CE-CG 3.8Å; M55-P184 HydrophobicContact SD-CG 4.43Å; N182-P184 WeakPolarHBondContact O-CD 3.32Å; P184-G186 PolarHBondContact O-N 3.28Å
185E93.5Very high96.4Very high31 Ų3124.4 Ų24.415%0.14512%0.124CC..THydrogen-bonded Turntrans58.112.5175.7-60.9-74.6115.300114.5R40 R43 A44 Y183R40-E185 HydrophobicContact CB-CB 3.94Å; R40-E185 HydrophobicContact CB-CG 4.32Å; R40-E185 HydrophobicContact CG-CB 3.88Å; R43-E185 HydrophobicContact CB-CG 3.99Å; R43-E185 IonicContact CZ-OE2 2.68Å; R43-E185 IonicContact NE-OE2 3.02Å; R43-E185 PolarHBondContact NE-OE2 2.9Å; R43-E185 IonicContact NH2-OE2 3.99Å; A44-E185 HydrophobicContact CB-CG 4.49Å; Y183-E185 PolarHBondContact O-N 2.92Å
186G93.6Very high96.2Very high0 Ų025.6 Ų25.60%013%0.132CC..  trans-83.4-9.217900000114.5S149 T150 Y183 P184S149-G186 VanDerWaalsContact CA-O 3.29Å; S149-G186 WeakPolarHBondContact CA-O 3.27Å; T150-G186 PolarHBondContact N-O 3.26Å; T150-G186 PolarHBondContact OG1-O 2.98Å; T150-G186 VanDerWaalsContact OG1-O 3.12Å; Y183-G186 PolarHBondContact O-N 3.4Å; P184-G186 PolarHBondContact O-N 3.28Å
187L96.5Very high95.7Very high8 Ų834.1 Ų34.14%0.04217%0.168CC..EExtended strand (participates in β ladder)trans-95.5127.3177-176.763.1000110.6L152 Y179 V190 T214 K217L152-L187 HydrophobicContact CD1-CD1 3.76Å; L152-L187 HydrophobicContact CG-CD1 3.73Å; Y179-L187 HydrophobicContact CE1-CB 4.42Å; Y179-L187 WeakPolarHBondContact OH-CB 3.23Å; Y179-L187 PolarHBondContact OH-N 3.26Å; L187-V190 HydrophobicContact CD1-CG2 3.79Å; L187-V190 HydrophobicContact CD2-CG2 3.8Å; L187-V190 HydrophobicContact CG-CG2 4.32Å; L187-T214 HydrophobicContact CD2-CG2 3.76Å; L187-K217 HydrophobicContact CB-CD 4.28Å; L187-K217 HydrophobicContact CD2-CB 4.08Å; L187-K217 HydrophobicContact CD2-CD 4.16Å; L187-K217 HydrophobicContact CG-CB 4.46Å; L187-K217 HydrophobicContact CG-CD 4.08Å; L187-K217 WeakPolarHBondContact O-CD 3.43Å; L187-K217 WeakPolarHBondContact O-CE 3.34Å; L187-K217 PolarHBondContact O-NZ 3.48Å
188K96.3Very high95.2Very high36 Ų3633.4 Ų33.416%0.15716%0.161CC..EExtended strand (participates in β ladder)trans-87.4-52.1171-171.6175.2175.3-1760111D93 E95 T150D93-K188 VanDerWaalsContact CG-NZ 3.28Å; D93-K188 IonicContact OD1-NZ 3.15Å; D93-K188 PolarHBondContact OD1-NZ 3.48Å; D93-K188 WeakPolarHBondContact OD2-CD 3.25Å; D93-K188 WeakPolarHBondContact OD2-CE 3.48Å; D93-K188 IonicContact OD2-NZ 3.64Å; D93-K188 PolarHBondContact OD2-NZ 3.39Å; E95-K188 WeakPolarHBondContact OE1-CE 3.31Å; E95-K188 IonicContact OE1-NZ 2.63Å; E95-K188 PolarHBondContact OE1-NZ 3.07Å; E95-K188 IonicContact OE2-NZ 3.79Å; T150-K188 WeakPolarHBondContact O-CB 3.43Å; T150-K188 PolarHBondContact O-N 3.49Å
189R95.4Very high94.9Very high63 Ų6333.3 Ų33.324%0.23816%0.16CC..EExtended strand (participates in β ladder)trans-165.3156.3179.759.9-175.461.1-164.7-1.5111.5T151 L152 L191 K217 H232T151-R189 HydrophobicContact CG2-CG 3.9Å; L152-R189 PolarHBondContact N-O 3.24Å; R189-L191 HydrophobicContact CG-CG 4.43Å; R189-K217 WeakPolarHBondContact CA-O 3.33Å; R189-H232 PolarHBondContact NH1-CD2 2.67Å; R189-H232 PolarHBondContact NH1-CE1 3.2Å; R189-H232 PolarHBondContact NH1-ND1 3.33Å; R189-H232 PolarHBondContact NH1-NE2 2.89Å; R189-H232 VanDerWaalsContact NH1-NE2 3.13Å
190V97.4Very high94.5Very high13 Ų1331.7 Ų31.78%0.07916%0.155CC..EExtended strand (participates in β ladder)trans-117.3123.6167.2-174.50000108.1L152 Y154 L187 L192 K217 I218 V219L152-V190 HydrophobicContact CB-CG1 4.38Å; L152-V190 HydrophobicContact CB-CG2 4.25Å; L152-V190 HydrophobicContact CD1-CG2 4.19Å; L152-V190 CarbonylContact O-C 3.51Å; L152-V190 WeakPolarHBondContact O-CA 3.36Å; Y154-V190 HydrophobicContact CD2-CG1 3.7Å; Y154-V190 HydrophobicContact CE2-CG1 4.23Å; Y154-V190 HydrophobicContact CG-CG1 4.34Å; L187-V190 HydrophobicContact CD1-CG2 3.79Å; L187-V190 HydrophobicContact CD2-CG2 3.8Å; L187-V190 HydrophobicContact CG-CG2 4.32Å; V190-L192 HydrophobicContact CG1-CG 4.39Å; V190-K217 PolarHBondContact N-O 2.9Å; V190-I218 HydrophobicContact CB-CG1 4.06Å; V190-I218 HydrophobicContact CG2-CG1 4.17Å; V190-V219 PolarHBondContact O-N 3.42Å
191L97.7Very high94.1Very high3 Ų331.5 Ų31.52%0.01615%0.154CC..EExtended strand (participates in β ladder)trans-107.6108.4176.6-58.3178.2000108.5T151 L152 I153 Y154 R189 V219 L221 L229T151-L191 HydrophobicContact CG2-CD1 4.47Å; L152-L191 PolarHBondContact O-N 3.38Å; I153-L191 WeakPolarHBondContact CA-O 3.48Å; I153-L191 HydrophobicContact CG1-CB 4.39Å; Y154-L191 PolarHBondContact N-O 3.49Å; R189-L191 HydrophobicContact CG-CG 4.43Å; L191-V219 HydrophobicContact CD2-CB 4.06Å; L191-V219 HydrophobicContact CD2-CG2 4.41Å; L191-L221 HydrophobicContact CB-CD1 4.14Å; L191-L221 HydrophobicContact CD2-CD1 4.42Å; L191-L229 HydrophobicContact CB-CD2 4.34Å; L191-L229 HydrophobicContact CD1-CD2 3.56Å
192L97.7Very high93.9Very high9 Ų928.3 Ų28.35%0.04714%0.138CC..EExtended strand (participates in β ladder)trans-90.1119176.2-67.8157.1000108.8Y154 C156 V190 F199 I218 V219 V220 L221Y154-L192 HydrophobicContact CD1-CD2 4.39Å; Y154-L192 HydrophobicContact CG-CD2 4.06Å; C156-L192 WeakPolarHBondContact SG-CD2 3.36Å; V190-L192 HydrophobicContact CG1-CG 4.39Å; L192-F199 HydrophobicContact CD1-CE1 4.12Å; L192-F199 HydrophobicContact CD1-CE2 3.65Å; L192-F199 HydrophobicContact CD1-CZ 3.29Å; L192-F199 HydrophobicContact CD2-CE2 3.88Å; L192-F199 HydrophobicContact CD2-CZ 4.38Å; L192-F199 HydrophobicContact CG-CE2 4.38Å; L192-F199 HydrophobicContact CG-CZ 4.43Å; L192-I218 HydrophobicContact CD1-CG2 3.3Å; L192-I218 HydrophobicContact CG-CG2 4.24Å; L192-V219 PolarHBondContact N-O 2.98Å; L192-V220 HydrophobicContact CD1-CG2 3.79Å; L192-L221 WeakPolarHBondContact O-CB 3.46Å; L192-L221 PolarHBondContact O-N 2.76Å
193I97.8Very high93.6Very high0 Ų028.4 Ų28.40%014%0.138CC..EExtended strand (participates in β ladder)trans-111.7149.8179.164.9176.3000110.4I153 Y154 D155 C156 A195 L221 W225 L229 Y242I153-I193 HydrophobicContact CG2-CD1 4.09Å; I153-I193 HydrophobicContact CG2-CG1 4.47Å; Y154-I193 PolarHBondContact O-N 3.28Å; D155-I193 HydrophobicContact CB-CD1 4.19Å; D155-I193 HydrophobicContact CB-CG1 4.16Å; C156-I193 WeakPolarHBondContact CB-O 3.38Å; C156-I193 PolarHBondContact N-O 3.1Å; I193-A195 PolarHBondContact O-N 3.28Å; I193-A195 VanDerWaalsContact O-N 3.14Å; I193-L221 HydrophobicContact CG2-CB 4.42Å; I193-L221 HydrophobicContact CG2-CD1 3.89Å; I193-W225 HydrophobicContact CB-CB 4.23Å; I193-W225 HydrophobicContact CB-CD2 4.19Å; I193-W225 HydrophobicContact CB-CE3 4.18Å; I193-W225 HydrophobicContact CB-CG 4.22Å; I193-W225 HydrophobicContact CD1-CE3 3.98Å; I193-W225 HydrophobicContact CD1-CZ3 3.98Å; I193-W225 HydrophobicContact CG2-CB 3.88Å; I193-W225 HydrophobicContact CG2-CD2 4.34Å; I193-W225 HydrophobicContact CG2-CE3 4.06Å; I193-W225 HydrophobicContact CG2-CG 4.3Å; I193-L229 HydrophobicContact CG2-CD1 4.42Å; I193-Y242 HydrophobicContact CD1-CD1 3.58Å; I193-Y242 HydrophobicContact CD1-CE1 3.56Å
194K96.4Very high93.3Very high53 Ų5329.9 Ų29.923%0.2315%0.146CC..SBendtrans53.436.4175.2-56.7175.8-68.9169.30112.8D155 C156 E157 P196 W225D155-K194 VanDerWaalsContact CG-CE 3.41Å; D155-K194 WeakPolarHBondContact OD1-CE 3.5Å; D155-K194 IonicContact OD1-NZ 2.74Å; D155-K194 PolarHBondContact OD1-NZ 3.3Å; D155-K194 WeakPolarHBondContact OD2-CE 3.32Å; D155-K194 IonicContact OD2-NZ 2.6Å; D155-K194 PolarHBondContact OD2-NZ 3.34Å; C156-K194 CarbonylContact C-O 3.51Å; E157-K194 HydrophobicContact CB-CB 3.92Å; E157-K194 HydrophobicContact CB-CD 4.04Å; E157-K194 PolarHBondContact N-O 2.9Å; E157-K194 WeakPolarHBondContact OE2-CD 3.36Å; E157-K194 WeakPolarHBondContact OE2-CE 3.46Å; E157-K194 IonicContact OE2-NZ 3.46Å; E157-K194 PolarHBondContact OE2-NZ 3.2Å; K194-P196 WeakPolarHBondContact O-CD 3.1Å; K194-W225 HydrophobicContact CD-CZ2 3.99Å; K194-W225 HydrophobicContact CG-CZ2 4.26Å
195A93.9Very high93Very high29 Ų2930.6 Ų30.624%0.2415%0.15CC..  trans-65.3122.3178.800000110.5C156 I193 F199 V220C156-A195 HydrophobicContact CB-CB 4.33Å; I193-A195 PolarHBondContact O-N 3.28Å; I193-A195 VanDerWaalsContact O-N 3.14Å; A195-F199 HydrophobicContact CB-CB 3.94Å; A195-F199 HydrophobicContact CB-CD1 4.44Å; A195-F199 HydrophobicContact CB-CD2 4.37Å; A195-F199 HydrophobicContact CB-CG 3.97Å; A195-V220 HydrophobicContact CB-CG1 4.03Å
196P91.8Very high93Very high41 Ų4130.2 Ų30.227%0.26615%0.148SC..  trans-78.2170.2178.432-35.1000111.3C156 L159 K194 M198 F199C156-P196 WeakPolarHBondContact O-CD 3.33Å; L159-P196 HydrophobicContact CB-CG 3.78Å; L159-P196 HydrophobicContact CD2-CG 4.23Å; L159-P196 HydrophobicContact CG-CG 4.29Å; K194-P196 WeakPolarHBondContact O-CD 3.1Å; P196-M198 HydrophobicContact CB-CG 4.42Å; P196-M198 HydrophobicContact CG-CG 3.9Å; P196-M198 PolarHBondContact O-N 2.78Å; P196-F199 WeakPolarHBondContact O-CB 3.45Å; P196-F199 PolarHBondContact O-N 2.75Å
197K86.3Confident93Very high199 Ų19933.3 Ų33.387%0.86516%0.162SC*.THydrogen-bonded Turntrans-53.6-26.3178-67.7-173.1177.4-175.40114.5F199 P200K197-F199 VanDerWaalsContact C-N 3.34Å; K197-P200 WeakPolarHBondContact O-CD 3.48Å
198M86.9Confident92.8Very high39 Ų3938.7 Ų38.719%0.19219%0.187CC..THydrogen-bonded Turntrans-83.6-5.9178.169.9169.9-75.100114.5L159 G160 L161 I164 P196 M201 A202L159-M198 HydrophobicContact CG-CE 4.35Å; L159-M198 HydrophobicContact CG-CG 4.43Å; G160-M198 VanDerWaalsContact C-SD 3.59Å; G160-M198 WeakPolarHBondContact CA-SD 3.44Å; G160-M198 PolarHBondContact N-SD 2.99Å; G160-M198 VanDerWaalsContact N-SD 3.43Å; G160-M198 WeakPolarHBondContact O-CE 3.35Å; L161-M198 HydrophobicContact CD2-CE 4.41Å; I164-M198 HydrophobicContact CG2-CE 4.3Å; P196-M198 HydrophobicContact CB-CG 4.42Å; P196-M198 HydrophobicContact CG-CG 3.9Å; P196-M198 PolarHBondContact O-N 2.78Å; M198-M201 WeakPolarHBondContact O-CB 3.49Å; M198-M201 PolarHBondContact O-N 2.77Å; M198-A202 PolarHBondContact O-N 3Å
199F90.8Very high92.7Very high13 Ų1339.4 Ų39.46%0.05719%0.19CC..Hα-helixtrans-52-48.9179.5169.1-96.6000113.3L159 L192 A195 P196 K197 M201 A202 Y203 V220L159-F199 HydrophobicContact CD2-CB 4.16Å; L159-F199 HydrophobicContact CD2-CD2 4.11Å; L192-F199 HydrophobicContact CD1-CE1 4.12Å; L192-F199 HydrophobicContact CD1-CE2 3.65Å; L192-F199 HydrophobicContact CD1-CZ 3.29Å; L192-F199 HydrophobicContact CD2-CE2 3.88Å; L192-F199 HydrophobicContact CD2-CZ 4.38Å; L192-F199 HydrophobicContact CG-CE2 4.38Å; L192-F199 HydrophobicContact CG-CZ 4.43Å; A195-F199 HydrophobicContact CB-CB 3.94Å; A195-F199 HydrophobicContact CB-CD1 4.44Å; A195-F199 HydrophobicContact CB-CD2 4.37Å; A195-F199 HydrophobicContact CB-CG 3.97Å; P196-F199 WeakPolarHBondContact O-CB 3.45Å; P196-F199 PolarHBondContact O-N 2.75Å; K197-F199 VanDerWaalsContact C-N 3.34Å; F199-M201 VanDerWaalsContact C-N 3.25Å; F199-M201 PolarHBondContact O-N 3.33Å; F199-A202 CarbonylContact O-C 3.54Å; F199-A202 WeakPolarHBondContact O-CA 3.44Å; F199-A202 WeakPolarHBondContact O-CB 3.46Å; F199-A202 PolarHBondContact O-N 3.48Å; F199-Y203 HydrophobicContact CE1-CG 4.42Å; F199-Y203 HydrophobicContact CZ-CD2 4.19Å; F199-Y203 HydrophobicContact CZ-CG 4.16Å; F199-Y203 PolarHBondContact O-N 3Å; F199-V220 HydrophobicContact CE1-CG2 3.81Å; F199-V220 HydrophobicContact CZ-CG2 4.32Å
200P89.2Confident92.6Very high3 Ų337.1 Ų37.12%0.01918%0.182CC..Hα-helixtrans-70-23.9-174.222.2-25.3000113.5K197 N204 A388 L392 E393K197-P200 WeakPolarHBondContact O-CD 3.48Å; P200-N204 WeakPolarHBondContact O-CB 3.43Å; P200-N204 VanDerWaalsContact O-CG 3.29Å; P200-N204 PolarHBondContact O-N 3.02Å; P200-A388 HydrophobicContact CB-CB 3.41Å; P200-A388 VanDerWaalsContact CB-CB 3.41Å; P200-A388 HydrophobicContact CG-CB 3.43Å; P200-A388 VanDerWaalsContact CG-CB 3.43Å; P200-L392 HydrophobicContact CB-CB 3.61Å; P200-L392 HydrophobicContact CB-CD1 4.42Å; P200-L392 HydrophobicContact CB-CG 4.43Å; P200-L392 HydrophobicContact CG-CB 4.46Å; P200-E393 HydrophobicContact CG-CG 4.13Å
201M88.5Confident92.3Very high19 Ų1939 Ų399%0.09420%0.196CC..Hα-helixtrans-64.4-48.8166.5-179.2-168.9-68.800111.4I164 M198 F199 Y203 N204 L205 L303 I385I164-M201 HydrophobicContact CD1-SD 4.2Å; M198-M201 WeakPolarHBondContact O-CB 3.49Å; M198-M201 PolarHBondContact O-N 2.77Å; F199-M201 VanDerWaalsContact C-N 3.25Å; F199-M201 PolarHBondContact O-N 3.33Å; M201-Y203 VanDerWaalsContact C-N 3.31Å; M201-Y203 PolarHBondContact O-N 3.15Å; M201-N204 PolarHBondContact O-N 3.45Å; M201-L205 PolarHBondContact O-N 3.47Å; M201-L303 HydrophobicContact CE-CD1 4.05Å; M201-L303 HydrophobicContact CE-CG 3.86Å; M201-L303 HydrophobicContact SD-CD1 3.3Å; M201-L303 WeakPolarHBondContact SD-CD1 3.15Å; M201-L303 HydrophobicContact SD-CG 3.8Å; M201-I385 HydrophobicContact CG-CG2 3.71Å; M201-I385 HydrophobicContact SD-CG2 4.22Å
202A91.4Very high92Very high12 Ų1244.3 Ų44.310%0.09922%0.22CC..Hα-helixtrans-61.7-39.6176.500000112L159 I164 M198 F199 L205 I206L159-A202 HydrophobicContact CD1-CB 4.46Å; L159-A202 HydrophobicContact CD2-CB 4.07Å; I164-A202 HydrophobicContact CG2-CB 3.88Å; M198-A202 PolarHBondContact O-N 3Å; F199-A202 CarbonylContact O-C 3.54Å; F199-A202 WeakPolarHBondContact O-CA 3.44Å; F199-A202 WeakPolarHBondContact O-CB 3.46Å; F199-A202 PolarHBondContact O-N 3.48Å; A202-L205 WeakPolarHBondContact O-CB 3.45Å; A202-L205 PolarHBondContact O-N 2.87Å; A202-I206 PolarHBondContact O-N 3.4Å
203Y92.5Very high91.6Very high14 Ų1447.1 Ų47.16%0.05523%0.233CC..Hα-helixtrans-63.1-42.1175.6-177.2-114.6000111.8F199 M201 L205 I206 K207 L210 R215 I218 L392 L403F199-Y203 HydrophobicContact CE1-CG 4.42Å; F199-Y203 HydrophobicContact CZ-CD2 4.19Å; F199-Y203 HydrophobicContact CZ-CG 4.16Å; F199-Y203 PolarHBondContact O-N 3Å; M201-Y203 VanDerWaalsContact C-N 3.31Å; M201-Y203 PolarHBondContact O-N 3.15Å; Y203-L205 PolarHBondContact O-N 3.43Å; Y203-I206 HydrophobicContact CD2-CD1 3.91Å; Y203-I206 HydrophobicContact CE2-CD1 4.27Å; Y203-I206 PolarHBondContact O-N 3.03Å; Y203-K207 HydrophobicContact CD1-CB 4.29Å; Y203-K207 HydrophobicContact CE1-CB 3.96Å; Y203-K207 HydrophobicContact CE1-CD 4.39Å; Y203-K207 HydrophobicContact CE2-CB 4.19Å; Y203-K207 VanDerWaalsContact O-CB 3.31Å; Y203-K207 WeakPolarHBondContact O-CB 3.48Å; Y203-K207 PolarHBondContact O-N 2.97Å; Y203-L210 HydrophobicContact CE2-CD1 4Å; Y203-R215 WeakPolarHBondContact OH-CG 3.18Å; Y203-I218 HydrophobicContact CE2-CD1 3.79Å; Y203-L392 HydrophobicContact CD1-CD2 4.08Å; Y203-L392 HydrophobicContact CE1-CD2 4.31Å; Y203-L403 HydrophobicContact CD1-CD1 4.18Å; Y203-L403 HydrophobicContact CD2-CD1 4.34Å; Y203-L403 HydrophobicContact CE1-CD1 3.69Å; Y203-L403 HydrophobicContact CE2-CD1 3.9Å; Y203-L403 HydrophobicContact CG-CD1 4.47Å
204N89.8Confident91.4Very high36 Ų3647.7 Ų47.719%0.19324%0.237CC..Hα-helixtrans-59.3-31.7176.6-81.3-17.6000113.2P200 M201 I206 K207 L392P200-N204 WeakPolarHBondContact O-CB 3.43Å; P200-N204 VanDerWaalsContact O-CG 3.29Å; P200-N204 PolarHBondContact O-N 3.02Å; M201-N204 PolarHBondContact O-N 3.45Å; N204-I206 VanDerWaalsContact C-N 3.33Å; N204-K207 WeakPolarHBondContact OD1-CD 3.46Å; N204-K207 VanDerWaalsContact OD1-CE 3.24Å; N204-K207 WeakPolarHBondContact OD1-CE 3.47Å; N204-K207 PolarHBondContact OD1-NZ 3.18Å; N204-L392 WeakPolarHBondContact OD1-CD1 3.38Å
205L90.8Very high91.3Very high22 Ų2248.8 Ų48.812%0.11524%0.239CC..Hα-helixtrans-72.7-22.2176.3-65.5172.5000113.7I164 I169 M201 A202 Y203 H208 I385I164-L205 HydrophobicContact CB-CD1 3.73Å; I164-L205 HydrophobicContact CG2-CD1 3.77Å; I169-L205 HydrophobicContact CD1-CB 4.26Å; I169-L205 HydrophobicContact CD1-CD1 4.34Å; I169-L205 HydrophobicContact CG1-CD1 4.38Å; I169-L205 HydrophobicContact CG2-CB 4.23Å; M201-L205 PolarHBondContact O-N 3.47Å; A202-L205 WeakPolarHBondContact O-CB 3.45Å; A202-L205 PolarHBondContact O-N 2.87Å; Y203-L205 PolarHBondContact O-N 3.43Å; L205-H208 PolarHBondContact O-CE1 3.41Å; L205-H208 PolarHBondContact O-ND1 3.04Å; L205-I385 HydrophobicContact CD1-CD1 4.36Å; L205-I385 HydrophobicContact CD2-CD1 4.17Å; L205-I385 HydrophobicContact CD2-CG1 4.42Å; L205-I385 HydrophobicContact CD2-CG2 4.36Å
206I93.3Very high91.2Very high22 Ų2253.7 Ų53.711%0.11325%0.252CS..Hα-helixtrans-116.4-16.3-175.763.989.1000113.9I169 Y172 L176 A202 Y203 N204 H208 F209 L210I169-I206 HydrophobicContact CD1-CG2 3.91Å; I169-I206 HydrophobicContact CG2-CG2 4.27Å; Y172-I206 HydrophobicContact CD1-CG2 4.16Å; L176-I206 HydrophobicContact CD1-CB 4.08Å; L176-I206 HydrophobicContact CD1-CD1 4.15Å; A202-I206 PolarHBondContact O-N 3.4Å; Y203-I206 HydrophobicContact CD2-CD1 3.91Å; Y203-I206 HydrophobicContact CE2-CD1 4.27Å; Y203-I206 PolarHBondContact O-N 3.03Å; N204-I206 VanDerWaalsContact C-N 3.33Å; I206-H208 PolarHBondContact O-N 3.36Å; I206-H208 VanDerWaalsContact O-N 3.09Å; I206-F209 HydrophobicContact CB-CD2 4.34Å; I206-F209 WeakPolarHBondContact O-CB 3.44Å; I206-F209 WeakPolarHBondContact O-CD2 3.44Å; I206-F209 PolarHBondContact O-N 3.12Å; I206-L210 HydrophobicContact CD1-CD1 3.87Å; I206-L210 HydrophobicContact CD1-CG 4.48Å
207K92.7Very high91.4Very high66 Ų6653.2 Ų53.229%0.28725%0.246SC..G310 helixtrans-57.1-32.4-174.167.8-178.6178.6-1740113.1Y203 N204 F209 L210 R215Y203-K207 HydrophobicContact CD1-CB 4.29Å; Y203-K207 HydrophobicContact CE1-CB 3.96Å; Y203-K207 HydrophobicContact CE1-CD 4.39Å; Y203-K207 HydrophobicContact CE2-CB 4.19Å; Y203-K207 VanDerWaalsContact O-CB 3.31Å; Y203-K207 WeakPolarHBondContact O-CB 3.48Å; Y203-K207 PolarHBondContact O-N 2.97Å; N204-K207 WeakPolarHBondContact OD1-CD 3.46Å; N204-K207 VanDerWaalsContact OD1-CE 3.24Å; N204-K207 WeakPolarHBondContact OD1-CE 3.47Å; N204-K207 PolarHBondContact OD1-NZ 3.18Å; K207-F209 PolarHBondContact O-N 2.94Å; K207-L210 WeakPolarHBondContact O-CB 3.04Å; K207-L210 PolarHBondContact O-N 2.92Å; K207-R215 PolarHBondContact O-NE 3.11Å; K207-R215 PolarHBondContact O-NH2 3.04Å
208H92.5Very high91.8Very high121 Ų12144.3 Ų44.356%0.5621%0.207SC*.G310 helixtrans-68.7-18.2-178.664.3-93.1000113.6L205 I206 L210L205-H208 PolarHBondContact O-CE1 3.41Å; L205-H208 PolarHBondContact O-ND1 3.04Å; I206-H208 PolarHBondContact O-N 3.36Å; I206-H208 VanDerWaalsContact O-N 3.09Å; H208-L210 VanDerWaalsContact C-N 3.32Å
209F94.1Very high92.1Very high51 Ų5144.2 Ų44.222%0.22421%0.209CC..G310 helixtrans-81.2-11.9171.3-57-70.7000113.3G173 L176 T177 I206 K207G173-F209 VanDerWaalsContact CA-CD2 3.48Å; L176-F209 HydrophobicContact CB-CB 3.86Å; L176-F209 HydrophobicContact CD1-CB 4.12Å; T177-F209 WeakPolarHBondContact OG1-CD1 3.17Å; I206-F209 HydrophobicContact CB-CD2 4.34Å; I206-F209 WeakPolarHBondContact O-CB 3.44Å; I206-F209 WeakPolarHBondContact O-CD2 3.44Å; I206-F209 PolarHBondContact O-N 3.12Å; K207-F209 PolarHBondContact O-N 2.94Å
210L93.6Very high92.2Very high14 Ų1443.7 Ų43.77%0.07321%0.207CC..SBendtrans-99.1137-176-55.2177.3000111.1L176 Y203 I206 K207 H208 T214 R215 I218L176-L210 HydrophobicContact CB-CD2 4.26Å; L176-L210 HydrophobicContact CD1-CD2 3.85Å; L176-L210 HydrophobicContact CD1-CG 4.41Å; L176-L210 HydrophobicContact CD2-CD2 3.83Å; L176-L210 HydrophobicContact CG-CD2 4.19Å; Y203-L210 HydrophobicContact CE2-CD1 4Å; I206-L210 HydrophobicContact CD1-CD1 3.87Å; I206-L210 HydrophobicContact CD1-CG 4.48Å; K207-L210 WeakPolarHBondContact O-CB 3.04Å; K207-L210 PolarHBondContact O-N 2.92Å; H208-L210 VanDerWaalsContact C-N 3.32Å; L210-T214 HydrophobicContact CB-CG2 4.35Å; L210-T214 HydrophobicContact CD2-CG2 3.97Å; L210-R215 HydrophobicContact CB-CG 3.87Å; L210-R215 HydrophobicContact CD1-CG 4.44Å; L210-R215 PolarHBondContact O-NE 3.49Å; L210-R215 PolarHBondContact O-NH2 2.66Å; L210-I218 HydrophobicContact CD1-CD1 3.75Å
211C91.7Very high92.4Very high54 Ų5443.9 Ų43.937%0.36521%0.207SC..  trans-74.1160.8171.181.20000111.2E180 E213 T214 R215E180-C211 PolarHBondContact OE1-N 3.15Å; E180-C211 PolarHBondContact OE1-SG 3.24Å; E180-C211 PolarHBondContact OE2-SG 3.28Å; C211-E213 VanDerWaalsContact C-N 3.26Å; C211-E213 PolarHBondContact O-N 3.27Å; C211-T214 PolarHBondContact O-N 3.22Å; C211-T214 VanDerWaalsContact O-N 3.15Å; C211-T214 PolarHBondContact SG-N 3.36Å; C211-T214 PolarHBondContact SG-OG1 3.2Å; C211-R215 WeakPolarHBondContact O-CG 3.36Å; C211-R215 PolarHBondContact O-N 3.15Å
212E90.8Very high92.5Very high113 Ų11343.7 Ų43.753%0.52821%0.21SC..Hα-helixtrans-56.9-39.6-178.1-168.8-177.717600112.6T214 R215 R216E212-T214 PolarHBondContact O-N 3.46Å; E212-R215 PolarHBondContact O-N 3.48Å; E212-R216 WeakPolarHBondContact O-CG 3.42Å; E212-R216 PolarHBondContact O-N 2.91Å; E212-R216 IonicContact OE1-CZ 2.73Å; E212-R216 IonicContact OE1-NE 2.75Å; E212-R216 IonicContact OE1-NH2 3.27Å; E212-R216 PolarHBondContact OE1-NH2 3.15Å; E212-R216 IonicContact OE2-NH2 2.68Å
213E90.1Very high92.6Very high68 Ų6851.3 Ų51.332%0.31825%0.249SC..Hα-helixtrans-64.7-39.3179-176.860.8-163.500112.3C211 R216 K217C211-E213 VanDerWaalsContact C-N 3.26Å; C211-E213 PolarHBondContact O-N 3.27Å; E213-R216 IonicContact OE2-NH1 2.75Å; E213-K217 WeakPolarHBondContact O-CG 3.36Å; E213-K217 PolarHBondContact O-N 2.95Å; E213-K217 WeakPolarHBondContact OE1-CE 3.49Å; E213-K217 IonicContact OE1-NZ 2.64Å; E213-K217 PolarHBondContact OE1-NZ 2.99Å
214T92.9Very high92.6Very high13 Ų1353.4 Ų53.48%0.0826%0.261CS..Hα-helixtrans-66.1-43.7173.9-64.60000111.1E180 L187 L210 C211 E212 R216 K217 I218E180-T214 WeakPolarHBondContact OE1-CB 3.38Å; E180-T214 PolarHBondContact OE1-OG1 2.9Å; E180-T214 PolarHBondContact OE2-OG1 2.8Å; L187-T214 HydrophobicContact CD2-CG2 3.76Å; L210-T214 HydrophobicContact CB-CG2 4.35Å; L210-T214 HydrophobicContact CD2-CG2 3.97Å; C211-T214 PolarHBondContact O-N 3.22Å; C211-T214 VanDerWaalsContact O-N 3.15Å; C211-T214 PolarHBondContact SG-N 3.36Å; C211-T214 PolarHBondContact SG-OG1 3.2Å; E212-T214 PolarHBondContact O-N 3.46Å; T214-R216 VanDerWaalsContact C-N 3.34Å; T214-R216 PolarHBondContact O-N 3.48Å; T214-K217 WeakPolarHBondContact O-CB 3.41Å; T214-K217 PolarHBondContact O-N 3.15Å; T214-I218 WeakPolarHBondContact O-CG1 3.29Å; T214-I218 PolarHBondContact O-N 3.45Å
215R93.6Very high92.9Very high75 Ų7553.3 Ų53.328%0.28326%0.259SS..Hα-helixtrans-58.8-44.1178.8-64.8178.8-165.3171.57.4111.9Y203 K207 L210 C211 E212 K217 I218Y203-R215 WeakPolarHBondContact OH-CG 3.18Å; K207-R215 PolarHBondContact O-NE 3.11Å; K207-R215 PolarHBondContact O-NH2 3.04Å; L210-R215 HydrophobicContact CB-CG 3.87Å; L210-R215 HydrophobicContact CD1-CG 4.44Å; L210-R215 PolarHBondContact O-NE 3.49Å; L210-R215 PolarHBondContact O-NH2 2.66Å; C211-R215 WeakPolarHBondContact O-CG 3.36Å; C211-R215 PolarHBondContact O-N 3.15Å; E212-R215 PolarHBondContact O-N 3.48Å; R215-K217 PolarHBondContact O-N 3.1Å; R215-I218 WeakPolarHBondContact O-CB 3.26Å; R215-I218 PolarHBondContact O-N 3.12Å
216R93Very high93.2Very high132 Ų13256 Ų5650%0.49827%0.271SS..Hα-helixtrans-61-24.7176.1-70.2173.8-173.2167-2.8113.9E212 E213 T214 I218E212-R216 WeakPolarHBondContact O-CG 3.42Å; E212-R216 PolarHBondContact O-N 2.91Å; E212-R216 IonicContact OE1-CZ 2.73Å; E212-R216 IonicContact OE1-NE 2.75Å; E212-R216 IonicContact OE1-NH2 3.27Å; E212-R216 PolarHBondContact OE1-NH2 3.15Å; E212-R216 IonicContact OE2-NH2 2.68Å; E213-R216 IonicContact OE2-NH1 2.75Å; T214-R216 VanDerWaalsContact C-N 3.34Å; T214-R216 PolarHBondContact O-N 3.48Å; R216-I218 VanDerWaalsContact C-N 3.34Å
217K94.3Very high93.4Very high32 Ų3259.3 Ų59.314%0.13929%0.286CS..THydrogen-bonded Turntrans-85.4-6.4178.3-73.1172.1-176.2170.40113.2L187 R189 V190 E213 T214 R215L187-K217 HydrophobicContact CB-CD 4.28Å; L187-K217 HydrophobicContact CD2-CB 4.08Å; L187-K217 HydrophobicContact CD2-CD 4.16Å; L187-K217 HydrophobicContact CG-CB 4.46Å; L187-K217 HydrophobicContact CG-CD 4.08Å; L187-K217 WeakPolarHBondContact O-CD 3.43Å; L187-K217 WeakPolarHBondContact O-CE 3.34Å; L187-K217 PolarHBondContact O-NZ 3.48Å; R189-K217 WeakPolarHBondContact CA-O 3.33Å; V190-K217 PolarHBondContact N-O 2.9Å; E213-K217 WeakPolarHBondContact O-CG 3.36Å; E213-K217 PolarHBondContact O-N 2.95Å; E213-K217 WeakPolarHBondContact OE1-CE 3.49Å; E213-K217 IonicContact OE1-NZ 2.64Å; E213-K217 PolarHBondContact OE1-NZ 2.99Å; T214-K217 WeakPolarHBondContact O-CB 3.41Å; T214-K217 PolarHBondContact O-N 3.15Å; R215-K217 PolarHBondContact O-N 3.1Å
218I95.1Very high93.5Very high12 Ų1256.6 Ų56.66%0.06227%0.274CS..EExtended strand (participates in β ladder)trans-86.2123.3176.9-60172.2000109.5V190 L192 Y203 L210 T214 R215 R216 L403V190-I218 HydrophobicContact CB-CG1 4.06Å; V190-I218 HydrophobicContact CG2-CG1 4.17Å; L192-I218 HydrophobicContact CD1-CG2 3.3Å; L192-I218 HydrophobicContact CG-CG2 4.24Å; Y203-I218 HydrophobicContact CE2-CD1 3.79Å; L210-I218 HydrophobicContact CD1-CD1 3.75Å; T214-I218 WeakPolarHBondContact O-CG1 3.29Å; T214-I218 PolarHBondContact O-N 3.45Å; R215-I218 WeakPolarHBondContact O-CB 3.26Å; R215-I218 PolarHBondContact O-N 3.12Å; R216-I218 VanDerWaalsContact C-N 3.34Å; I218-L403 HydrophobicContact CB-CD1 4.01Å; I218-L403 HydrophobicContact CG2-CD1 3.49Å; I218-L403 VanDerWaalsContact CG2-CD1 3.49Å; I218-L403 HydrophobicContact CG2-CG 4.24Å; I218-L403 PolarHBondContact O-N 2.84Å; I218-L403 VanDerWaalsContact O-N 3.15Å
219V93.6Very high93.8Very high37 Ų3750.9 Ų50.922%0.22425%0.248CC..EExtended strand (participates in β ladder)trans-121.5121.4177.7-169.80000108.8V190 L191 L192 L221V190-V219 PolarHBondContact O-N 3.42Å; L191-V219 HydrophobicContact CD2-CB 4.06Å; L191-V219 HydrophobicContact CD2-CG2 4.41Å; L192-V219 PolarHBondContact N-O 2.98Å; V219-L221 HydrophobicContact CG1-CD2 3.75Å
220V93.7Very high93.9Very high2 Ų253.9 Ų53.91%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-89.9118.1173.4-172.70000108.7L192 A195 F199 C396 L403L192-V220 HydrophobicContact CD1-CG2 3.79Å; A195-V220 HydrophobicContact CB-CG1 4.03Å; F199-V220 HydrophobicContact CE1-CG2 3.81Å; F199-V220 HydrophobicContact CZ-CG2 4.32Å; V220-C396 HydrophobicContact CG1-CB 4.34Å; V220-L403 HydrophobicContact CG2-CD1 4.23Å; V220-L403 HydrophobicContact CG2-CD2 4.17Å; V220-L403 HydrophobicContact CG2-CG 4.26Å
221L93.1Very high94.1Very high6 Ų658.4 Ų58.43%0.03128%0.277CS..  trans-92138.5-177.7-57.4-173.3000111L191 L192 I193 V219 W225 V228 L229 D400L191-L221 HydrophobicContact CB-CD1 4.14Å; L191-L221 HydrophobicContact CD2-CD1 4.42Å; L192-L221 WeakPolarHBondContact O-CB 3.46Å; L192-L221 PolarHBondContact O-N 2.76Å; I193-L221 HydrophobicContact CG2-CB 4.42Å; I193-L221 HydrophobicContact CG2-CD1 3.89Å; V219-L221 HydrophobicContact CG1-CD2 3.75Å; L221-W225 HydrophobicContact CB-CB 3.68Å; L221-W225 HydrophobicContact CD1-CB 4.15Å; L221-V228 HydrophobicContact CD1-CB 4.09Å; L221-V228 HydrophobicContact CD1-CG1 3.99Å; L221-V228 HydrophobicContact CD2-CB 4.28Å; L221-V228 HydrophobicContact CD2-CG1 3.76Å; L221-L229 HydrophobicContact CD1-CD2 4.25Å; L221-D400 WeakPolarHBondContact CD2-OD1 3.1Å
222G90.6Very high94.3Very high15 Ų1558.9 Ų58.916%0.15527%0.273CS..  trans-82.2-157.9176.300000112.9N224 W225G222-N224 PolarHBondContact O-N 3.12Å; G222-N224 VanDerWaalsContact O-N 3.14Å; G222-W225 WeakPolarHBondContact O-CB 3.21Å; G222-W225 VanDerWaalsContact O-CD1 3.3Å; G222-W225 PolarHBondContact O-N 3.46Å; G222-W225 VanDerWaalsContact O-N 3.08Å
223N92.2Very high94.6Very high173 Ų17353.5 Ų53.593%0.92525%0.248SC*.THydrogen-bonded Turntrans-63-21.7-177.8-66.8-25.6000114W225N223-W225 PolarHBondContact O-N 3.27Å
224N93.7Very high95Very high57 Ų5752.9 Ų52.931%0.30525%0.247SC..THydrogen-bonded Turntrans-84.614.817668.3-32.5000113.4G222 Q226 E227 V228G222-N224 PolarHBondContact O-N 3.12Å; G222-N224 VanDerWaalsContact O-N 3.14Å; N224-Q226 PolarHBondContact O-N 2.89Å; N224-Q226 VanDerWaalsContact O-N 3.09Å; N224-E227 HydrophobicContact CB-CB 4.48Å; N224-E227 WeakPolarHBondContact O-CA 3.5Å; N224-E227 VanDerWaalsContact O-CB 3.31Å; N224-E227 WeakPolarHBondContact O-CB 3.4Å; N224-E227 PolarHBondContact O-N 3.26Å; N224-V228 PolarHBondContact O-N 2.94Å; N224-V228 VanDerWaalsContact O-N 3.16Å
225W96.2Very high95.3Very high35 Ų3554.9 Ų54.913%0.13326%0.26CS..Hα-helixtrans-50.1-39.2-17561.9-92.3000113.9I193 K194 L221 G222 N223 E227 V228 L229 Y242I193-W225 HydrophobicContact CB-CB 4.23Å; I193-W225 HydrophobicContact CB-CD2 4.19Å; I193-W225 HydrophobicContact CB-CE3 4.18Å; I193-W225 HydrophobicContact CB-CG 4.22Å; I193-W225 HydrophobicContact CD1-CE3 3.98Å; I193-W225 HydrophobicContact CD1-CZ3 3.98Å; I193-W225 HydrophobicContact CG2-CB 3.88Å; I193-W225 HydrophobicContact CG2-CD2 4.34Å; I193-W225 HydrophobicContact CG2-CE3 4.06Å; I193-W225 HydrophobicContact CG2-CG 4.3Å; K194-W225 HydrophobicContact CD-CZ2 3.99Å; K194-W225 HydrophobicContact CG-CZ2 4.26Å; L221-W225 HydrophobicContact CB-CB 3.68Å; L221-W225 HydrophobicContact CD1-CB 4.15Å; G222-W225 WeakPolarHBondContact O-CB 3.21Å; G222-W225 VanDerWaalsContact O-CD1 3.3Å; G222-W225 PolarHBondContact O-N 3.46Å; G222-W225 VanDerWaalsContact O-N 3.08Å; N223-W225 PolarHBondContact O-N 3.27Å; W225-E227 VanDerWaalsContact C-N 3.34Å; W225-E227 PolarHBondContact O-N 2.69Å; W225-V228 PolarHBondContact O-N 3.43Å; W225-L229 HydrophobicContact CE3-CD1 3.83Å; W225-L229 HydrophobicContact CE3-CG 4.5Å; W225-L229 HydrophobicContact CZ3-CD1 4.02Å; W225-L229 WeakPolarHBondContact O-CG 3.25Å; W225-L229 PolarHBondContact O-N 2.92Å; W225-Y242 HydrophobicContact CH2-CD1 4.38Å; W225-Y242 HydrophobicContact CZ3-CD1 4.03Å
226Q97.3Very high95.5Very high79 Ų7955.5 Ų55.537%0.36927%0.269SS..Hα-helixtrans-63.6-35.9176.3-72.1-177.6-39.100113.3N224 R230N224-Q226 PolarHBondContact O-N 2.89Å; N224-Q226 VanDerWaalsContact O-N 3.09Å; Q226-R230 VanDerWaalsContact O-CG 3.32Å; Q226-R230 WeakPolarHBondContact O-CG 3.35Å; Q226-R230 PolarHBondContact O-N 3.16Å; Q226-R230 PolarHBondContact O-NE 3.01Å; Q226-R230 VanDerWaalsContact O-NE 3.09Å
227E96.3Very high95.7Very high91 Ų9151.7 Ų51.743%0.42526%0.257SS..Hα-helixtrans-67-44.2174.4-168.5-160.8136.600110.5N224 W225 R230 K231N224-E227 HydrophobicContact CB-CB 4.48Å; N224-E227 WeakPolarHBondContact O-CA 3.5Å; N224-E227 VanDerWaalsContact O-CB 3.31Å; N224-E227 WeakPolarHBondContact O-CB 3.4Å; N224-E227 PolarHBondContact O-N 3.26Å; W225-E227 VanDerWaalsContact C-N 3.34Å; W225-E227 PolarHBondContact O-N 2.69Å; E227-R230 PolarHBondContact O-N 3.03Å; E227-K231 WeakPolarHBondContact O-CG 3.39Å; E227-K231 PolarHBondContact O-N 3.21Å; E227-K231 VanDerWaalsContact O-N 3.09Å; E227-K231 WeakPolarHBondContact OE1-CE 3.07Å; E227-K231 IonicContact OE1-NZ 2.81Å; E227-K231 PolarHBondContact OE1-NZ 3.37Å
228V95.6Very high96Very high9 Ų950.1 Ų50.16%0.05525%0.25CS..Hα-helixtrans-65-42.3179.4-178.40000111.5L221 N224 W225 R230 K231 H232L221-V228 HydrophobicContact CD1-CB 4.09Å; L221-V228 HydrophobicContact CD1-CG1 3.99Å; L221-V228 HydrophobicContact CD2-CB 4.28Å; L221-V228 HydrophobicContact CD2-CG1 3.76Å; N224-V228 PolarHBondContact O-N 2.94Å; N224-V228 VanDerWaalsContact O-N 3.16Å; W225-V228 PolarHBondContact O-N 3.43Å; V228-R230 VanDerWaalsContact C-N 3.33Å; V228-R230 PolarHBondContact O-N 3.16Å; V228-K231 WeakPolarHBondContact O-CB 3.45Å; V228-K231 PolarHBondContact O-N 3.34Å; V228-H232 PolarHBondContact O-CD2 2.96Å; V228-H232 VanDerWaalsContact O-CD2 3.27Å; V228-H232 PolarHBondContact O-N 3.28Å
229L97.8Very high96.1Very high0 Ų049.6 Ų49.60%025%0.247CC..Hα-helixtrans-57.9-45.4173.9-69-173.7000111.3I153 L191 I193 L221 W225 K231 H232 I233 L238I153-L229 HydrophobicContact CD1-CD1 4.49Å; I153-L229 HydrophobicContact CD1-CD2 3.9Å; I153-L229 HydrophobicContact CG1-CD2 4.35Å; L191-L229 HydrophobicContact CB-CD2 4.34Å; L191-L229 HydrophobicContact CD1-CD2 3.56Å; I193-L229 HydrophobicContact CG2-CD1 4.42Å; L221-L229 HydrophobicContact CD1-CD2 4.25Å; W225-L229 HydrophobicContact CE3-CD1 3.83Å; W225-L229 HydrophobicContact CE3-CG 4.5Å; W225-L229 HydrophobicContact CZ3-CD1 4.02Å; W225-L229 WeakPolarHBondContact O-CG 3.25Å; W225-L229 PolarHBondContact O-N 2.92Å; L229-K231 VanDerWaalsContact C-N 3.28Å; L229-K231 PolarHBondContact O-N 3.42Å; L229-H232 PolarHBondContact O-N 2.97Å; L229-I233 HydrophobicContact CB-CD1 4.49Å; L229-I233 HydrophobicContact CD2-CD1 4.34Å; L229-I233 WeakPolarHBondContact O-CB 3.38Å; L229-I233 PolarHBondContact O-N 2.86Å; L229-L238 HydrophobicContact CB-CD1 4.48Å; L229-L238 HydrophobicContact CB-CD2 4.02Å; L229-L238 HydrophobicContact CD1-CD1 4.24Å
230R97.5Very high96.4Very high115 Ų11550.5 Ų50.543%0.43425%0.253SS..Hα-helixtrans-65.2-25.5178.3-74.1-178.4-72.4175.32.6114.3R94 Q226 E227 V228 H232 I233 L238 G243R94-R230 PolarHBondContact NE-O 3.16Å; R94-R230 PolarHBondContact NH2-O 3.08Å; R94-R230 VanDerWaalsContact NH2-O 3.17Å; Q226-R230 VanDerWaalsContact O-CG 3.32Å; Q226-R230 WeakPolarHBondContact O-CG 3.35Å; Q226-R230 PolarHBondContact O-N 3.16Å; Q226-R230 PolarHBondContact O-NE 3.01Å; Q226-R230 VanDerWaalsContact O-NE 3.09Å; E227-R230 PolarHBondContact O-N 3.03Å; V228-R230 VanDerWaalsContact C-N 3.33Å; V228-R230 PolarHBondContact O-N 3.16Å; R230-H232 PolarHBondContact O-N 3.43Å; R230-I233 VanDerWaalsContact O-O 3.1Å; R230-L238 HydrophobicContact CG-CD2 4.05Å; R230-G243 WeakPolarHBondContact CD-O 3.38Å
231K96.3Very high96.6Very high109 Ų10952.8 Ų52.847%0.47427%0.267SS..Hα-helixtrans-66.6-28.1171.2-70.7173.3-174.5167.40112R94 E227 V228 L229R94-K231 WeakPolarHBondContact CD-O 3.14Å; R94-K231 PolarHBondContact NE-O 3.09Å; E227-K231 WeakPolarHBondContact O-CG 3.39Å; E227-K231 PolarHBondContact O-N 3.21Å; E227-K231 VanDerWaalsContact O-N 3.09Å; E227-K231 WeakPolarHBondContact OE1-CE 3.07Å; E227-K231 IonicContact OE1-NZ 2.81Å; E227-K231 PolarHBondContact OE1-NZ 3.37Å; V228-K231 WeakPolarHBondContact O-CB 3.45Å; V228-K231 PolarHBondContact O-N 3.34Å; L229-K231 VanDerWaalsContact C-N 3.28Å; L229-K231 PolarHBondContact O-N 3.42Å
232H95.6Very high96.8Very high63 Ų6352.5 Ų52.529%0.29227%0.266SS..Hα-helixtrans-106.2-20-175.5-65.5-52.9000114.3R94 R189 V228 L229 R230R94-H232 WeakPolarHBondContact CB-O 3.46Å; R94-H232 VanDerWaalsContact CG-O 3.29Å; R94-H232 WeakPolarHBondContact CG-O 3.25Å; R94-H232 PolarHBondContact N-O 2.75Å; R189-H232 PolarHBondContact NH1-CD2 2.67Å; R189-H232 PolarHBondContact NH1-CE1 3.2Å; R189-H232 PolarHBondContact NH1-ND1 3.33Å; R189-H232 PolarHBondContact NH1-NE2 2.89Å; R189-H232 VanDerWaalsContact NH1-NE2 3.13Å; V228-H232 PolarHBondContact O-CD2 2.96Å; V228-H232 VanDerWaalsContact O-CD2 3.27Å; V228-H232 PolarHBondContact O-N 3.28Å; L229-H232 PolarHBondContact O-N 2.97Å; R230-H232 PolarHBondContact O-N 3.43Å
233I98.3Very high97.2Very high0 Ų052.7 Ų52.70%027%0.267CS..BIsolated β-bridgetrans-130.5133.5-171.5-51.1164.8000108.1D93 I99 I153 L229 R230 Q237 L238D93-I233 HydrophobicContact CB-CG1 4.34Å; I99-I233 HydrophobicContact CD1-CB 4.42Å; I99-I233 HydrophobicContact CD1-CD1 3.7Å; I99-I233 HydrophobicContact CD1-CG1 3.77Å; I99-I233 HydrophobicContact CD1-CG2 3.73Å; I153-I233 HydrophobicContact CD1-CD1 3.74Å; L229-I233 HydrophobicContact CB-CD1 4.49Å; L229-I233 HydrophobicContact CD2-CD1 4.34Å; L229-I233 WeakPolarHBondContact O-CB 3.38Å; L229-I233 PolarHBondContact O-N 2.86Å; R230-I233 VanDerWaalsContact O-O 3.1Å; I233-Q237 HydrophobicContact CG2-CB 3.88Å; I233-L238 HydrophobicContact CB-CB 4.44Å; I233-L238 HydrophobicContact CD1-CD1 4.01Å; I233-L238 HydrophobicContact CG2-CB 3.85Å
234D98.4Very high97.5Very high56 Ų5645.1 Ų45.130%0.29923%0.23SC..  trans-66.3144.2174.4-76.5-59.5000110.9R94 D236 Q237 L238R94-D234 IonicContact CZ-OD1 3.33Å; R94-D234 IonicContact NH1-OD1 3.62Å; R94-D234 PolarHBondContact NH1-OD1 3.27Å; R94-D234 IonicContact NH1-OD2 2.64Å; R94-D234 IonicContact NH2-OD1 3.55Å; R94-D234 PolarHBondContact NH2-OD1 3.41Å; D234-D236 VanDerWaalsContact CB-OD1 3.24Å; D234-D236 WeakPolarHBondContact CB-OD1 3.41Å; D234-D236 PolarHBondContact O-N 2.99Å; D234-D236 VanDerWaalsContact O-N 3.17Å; D234-Q237 HydrophobicContact CB-CG 4.23Å; D234-Q237 PolarHBondContact O-N 3.3Å; D234-L238 PolarHBondContact O-N 3.05Å
235P98.1Very high97.7Very high54 Ų5446.6 Ų46.635%0.35124%0.241SC..G310 helixtrans-56.7-33.6-175.6-26.935000114.2Q237 L238 G244 T245P235-Q237 PolarHBondContact O-N 3.31Å; P235-L238 PolarHBondContact O-N 3.35Å; P235-G244 CarbonylContact O-C 3.54Å; P235-T245 HydrophobicContact CB-CG2 4.1Å; P235-T245 PolarHBondContact O-N 3.31Å; P235-T245 PolarHBondContact O-OG1 2.94Å
236D98.3Very high97.8Very high88 Ų8846.8 Ų46.847%0.47125%0.245SC..G310 helixtrans-76.2-10.2178.568.4-52.9000113.2D234 T245D234-D236 VanDerWaalsContact CB-OD1 3.24Å; D234-D236 WeakPolarHBondContact CB-OD1 3.41Å; D234-D236 PolarHBondContact O-N 2.99Å; D234-D236 VanDerWaalsContact O-N 3.17Å; D236-T245 WeakPolarHBondContact CA-OG1 3.22Å; D236-T245 PolarHBondContact N-OG1 2.88Å
237Q98.6Very high97.9Very high52 Ų5245.7 Ų45.724%0.24324%0.243CC..G310 helixtrans-102.6-7.8175.8-59.2-58.1-57.100112.8Y92 I233 D234 P235Y92-Q237 WeakPolarHBondContact O-CB 3.39Å; I233-Q237 HydrophobicContact CG2-CB 3.88Å; D234-Q237 HydrophobicContact CB-CG 4.23Å; D234-Q237 PolarHBondContact O-N 3.3Å; P235-Q237 PolarHBondContact O-N 3.31Å
238L98.8Very high98Very high0 Ų041.5 Ų41.50%022%0.224CC..SBendtrans-110.1126.1-176.2-178.665.5000109.9Y101 L229 R230 I233 D234 P235 Y242 G244 T245 L246Y101-L238 WeakPolarHBondContact OH-CD1 3.38Å; L229-L238 HydrophobicContact CB-CD1 4.48Å; L229-L238 HydrophobicContact CB-CD2 4.02Å; L229-L238 HydrophobicContact CD1-CD1 4.24Å; R230-L238 HydrophobicContact CG-CD2 4.05Å; I233-L238 HydrophobicContact CB-CB 4.44Å; I233-L238 HydrophobicContact CD1-CD1 4.01Å; I233-L238 HydrophobicContact CG2-CB 3.85Å; D234-L238 PolarHBondContact O-N 3.05Å; P235-L238 PolarHBondContact O-N 3.35Å; L238-Y242 WeakPolarHBondContact CD2-O 3.48Å; L238-G244 CarbonylContact O-C 3.51Å; L238-G244 VanDerWaalsContact O-CA 3.26Å; L238-G244 WeakPolarHBondContact O-CA 3.42Å; L238-T245 PolarHBondContact O-N 2.79Å; L238-T245 VanDerWaalsContact O-N 3.12Å; L238-L246 VanDerWaalsContact O-CB 3.28Å; L238-L246 WeakPolarHBondContact O-CB 3.29Å; L238-L246 PolarHBondContact O-N 3.16Å
239P98.8Very high98Very high0 Ų047.4 Ų47.40%026%0.263CS..BIsolated β-bridgetrans-54.4145.7176-28.636.6000112.8Y101 V241 Y242 G243 G244 L246 C255 I259Y101-P239 VanDerWaalsContact OH-CD 3.3Å; Y101-P239 WeakPolarHBondContact OH-CD 3.31Å; P239-V241 VanDerWaalsContact C-N 3.25Å; P239-V241 HydrophobicContact CB-CG1 4.09Å; P239-V241 PolarHBondContact O-N 2.95Å; P239-Y242 HydrophobicContact CB-CD2 3.88Å; P239-Y242 HydrophobicContact CG-CD2 3.97Å; P239-Y242 CarbonylContact O-C 3.51Å; P239-Y242 WeakPolarHBondContact O-CA 3.47Å; P239-Y242 PolarHBondContact O-N 3.17Å; P239-G243 PolarHBondContact O-N 3.46Å; P239-G244 PolarHBondContact O-N 3.49Å; P239-G244 VanDerWaalsContact O-N 3.13Å; P239-L246 WeakPolarHBondContact CA-O 3.37Å; P239-C255 HydrophobicContact CB-CB 4.39Å; P239-C255 HydrophobicContact CG-CB 4.22Å; P239-I259 HydrophobicContact CG-CD1 3.94Å
240V98.7Very high98Very high57 Ų5753.6 Ų53.635%0.34530%0.296SS..G310 helixtrans-55.2-41.3177.41690000111.6Y242 G243 L246 T247 P253V240-Y242 PolarHBondContact O-N 2.98Å; V240-Y242 VanDerWaalsContact O-N 3.1Å; V240-G243 PolarHBondContact O-N 3Å; V240-L246 PolarHBondContact N-O 3.15Å; V240-T247 HydrophobicContact CG2-CG2 3.66Å; V240-P253 HydrophobicContact CB-CB 3.59Å; V240-P253 HydrophobicContact CG1-CB 3.65Å; V240-P253 HydrophobicContact CG2-CB 4.48Å; V240-P253 PolarHBondContact N-O 3.25Å
241V98.1Very high98Very high50 Ų5050.1 Ų50.130%0.30330%0.296SS..G310 helixtrans-59.3-23.917771.40000113.1P239 P253 R254P239-V241 VanDerWaalsContact C-N 3.25Å; P239-V241 HydrophobicContact CB-CG1 4.09Å; P239-V241 PolarHBondContact O-N 2.95Å; V241-P253 PolarHBondContact N-O 2.81Å; V241-R254 HydrophobicContact CB-CG 4.23Å; V241-R254 HydrophobicContact CG1-CG 4.39Å; V241-R254 HydrophobicContact CG2-CG 4.34Å
242Y98.4Very high98.1Very high0 Ų046.2 Ų46.20%028%0.28CS..G310 helixtrans-100.910.7177.3-63.8-57.8000113.8Y101 D155 I193 W225 L238 P239 V240 I259Y101-Y242 AromaticContact CD1-CD2 3.81Å; Y101-Y242 HydrophobicContact CD1-CD2 3.81Å; Y101-Y242 AromaticContact CD1-CE2 3.47Å; Y101-Y242 HydrophobicContact CD1-CE2 3.47Å; Y101-Y242 VanDerWaalsContact CD1-CE2 3.47Å; Y101-Y242 AromaticContact CE1-CD2 3.38Å; Y101-Y242 HydrophobicContact CE1-CD2 3.38Å; Y101-Y242 AromaticContact CE1-CE2 3.6Å; Y101-Y242 HydrophobicContact CE1-CE2 3.6Å; Y101-Y242 HydrophobicContact CE1-CG 4.06Å; Y101-Y242 HydrophobicContact CG-CE2 4.44Å; D155-Y242 HydrophobicContact CB-CE1 4.26Å; D155-Y242 WeakPolarHBondContact OD2-CE1 3.36Å; D155-Y242 PolarHBondContact OD2-OH 3.43Å; D155-Y242 VanDerWaalsContact OD2-OH 3.07Å; I193-Y242 HydrophobicContact CD1-CD1 3.58Å; I193-Y242 HydrophobicContact CD1-CE1 3.56Å; W225-Y242 HydrophobicContact CH2-CD1 4.38Å; W225-Y242 HydrophobicContact CZ3-CD1 4.03Å; L238-Y242 WeakPolarHBondContact CD2-O 3.48Å; P239-Y242 HydrophobicContact CB-CD2 3.88Å; P239-Y242 HydrophobicContact CG-CD2 3.97Å; P239-Y242 CarbonylContact O-C 3.51Å; P239-Y242 WeakPolarHBondContact O-CA 3.47Å; P239-Y242 PolarHBondContact O-N 3.17Å; V240-Y242 PolarHBondContact O-N 2.98Å; V240-Y242 VanDerWaalsContact O-N 3.1Å; Y242-I259 HydrophobicContact CE2-CD1 4.31Å
243G97.7Very high98.2Very high18 Ų1845.8 Ų45.819%0.18628%0.283CS..THydrogen-bonded Turntrans94.811.9173.800000115R230 P239 V240R230-G243 WeakPolarHBondContact CD-O 3.38Å; P239-G243 PolarHBondContact O-N 3.46Å; V240-G243 PolarHBondContact O-N 3Å
244G98.3Very high98.2Very high14 Ų1451 Ų5114%0.14430%0.302CS..SBendtrans-99.9-146.6172.800000113.4P235 L238 P239P235-G244 CarbonylContact O-C 3.54Å; L238-G244 CarbonylContact O-C 3.51Å; L238-G244 VanDerWaalsContact O-CA 3.26Å; L238-G244 WeakPolarHBondContact O-CA 3.42Å; P239-G244 PolarHBondContact O-N 3.49Å; P239-G244 VanDerWaalsContact O-N 3.13Å
245T98.6Very high98.2Very high89 Ų8948.3 Ų48.355%0.54629%0.288SS..  trans-133.2-3.7-176.258.40000113.3P235 D236 L238P235-T245 HydrophobicContact CB-CG2 4.1Å; P235-T245 PolarHBondContact O-N 3.31Å; P235-T245 PolarHBondContact O-OG1 2.94Å; D236-T245 WeakPolarHBondContact CA-OG1 3.22Å; D236-T245 PolarHBondContact N-OG1 2.88Å; L238-T245 PolarHBondContact O-N 2.79Å; L238-T245 VanDerWaalsContact O-N 3.12Å
246L98.6Very high98.1Very high38 Ų3851.1 Ų51.120%0.19929%0.292CS..BIsolated β-bridgetrans-72.1132.4178.5-177.162.1000110.7C90 L238 P239 V240 C255 M258C90-L246 WeakPolarHBondContact SG-CD2 3.4Å; L238-L246 VanDerWaalsContact O-CB 3.28Å; L238-L246 WeakPolarHBondContact O-CB 3.29Å; L238-L246 PolarHBondContact O-N 3.16Å; P239-L246 WeakPolarHBondContact CA-O 3.37Å; V240-L246 PolarHBondContact N-O 3.15Å; L246-C255 PolarHBondContact O-SG 3.26Å; L246-M258 HydrophobicContact CD2-CE 4.23Å; L246-M258 HydrophobicContact CG-CE 4.49Å
247T98.6Very high98.1Very high56 Ų5651.8 Ų51.834%0.34430%0.299SS..  trans-130.8165.7173.365.30000109.9V240 D252V240-T247 HydrophobicContact CG2-CG2 3.66Å; T247-D252 WeakPolarHBondContact CA-O 3.41Å
248D98.3Very high98Very high4 Ų452.6 Ų52.62%0.02130%0.303CS..  trans-64.2165.8161.7-76.8-30000111.3D250 G251 D252 C255 R256 T257D248-D250 WeakPolarHBondContact CB-OD1 3.4Å; D248-D250 PolarHBondContact O-N 2.96Å; D248-D250 VanDerWaalsContact O-N 3.16Å; D248-G251 PolarHBondContact O-N 3.19Å; D248-D252 HydrophobicContact CB-CB 4.05Å; D248-D252 PolarHBondContact N-O 3.03Å; D248-D252 VanDerWaalsContact N-O 3.1Å; D248-C255 VanDerWaalsContact CG-CA 3.49Å; D248-C255 VanDerWaalsContact OD1-CA 3.31Å; D248-C255 WeakPolarHBondContact OD1-CA 3.35Å; D248-C255 WeakPolarHBondContact OD2-CA 3.42Å; D248-R256 PolarHBondContact OD2-N 3.21Å; D248-T257 HydrophobicContact CB-CG2 4.22Å; D248-T257 WeakPolarHBondContact OD1-CB 3.3Å; D248-T257 WeakPolarHBondContact OD1-CG2 3.42Å; D248-T257 PolarHBondContact OD1-N 3.39Å; D248-T257 PolarHBondContact OD1-OG1 3.14Å; D248-T257 PolarHBondContact OD2-N 3.43Å; D248-T257 VanDerWaalsContact OD2-N 3.1Å
249P97.4Very high98Very high133 Ų13352.6 Ų52.686%0.86430%0.303SS*.THydrogen-bonded Turntrans-57.7-25.3176.8-26.736000114.8G251P249-G251 VanDerWaalsContact C-N 3.33Å
250D97.4Very high98Very high130 Ų13054.5 Ų54.570%0.69531%0.314SS*.THydrogen-bonded Turntrans-88.70.8176.367.2-6.8000113.5D248 D252D248-D250 WeakPolarHBondContact CB-OD1 3.4Å; D248-D250 PolarHBondContact O-N 2.96Å; D248-D250 VanDerWaalsContact O-N 3.16Å; D250-D252 PolarHBondContact OD1-N 3.2Å
251G97.7Very high97.9Very high42 Ų4253.7 Ų53.743%0.43331%0.305SS..  trans87.97.7-179.200000115.1D248 P249 P253D248-G251 PolarHBondContact O-N 3.19Å; P249-G251 VanDerWaalsContact C-N 3.33Å; G251-P253 VanDerWaalsContact O-CD 3.27Å; G251-P253 WeakPolarHBondContact O-CD 3.22Å; G251-P253 VanDerWaalsContact O-N 3.13Å
252D98.1Very high97.8Very high26 Ų2652.3 Ų52.314%0.13930%0.3CS..  trans-60.3116.9175.6-172.3-16.9000110.4T247 D248 D250 R254 C255 R256T247-D252 WeakPolarHBondContact CA-O 3.41Å; D248-D252 HydrophobicContact CB-CB 4.05Å; D248-D252 PolarHBondContact N-O 3.03Å; D248-D252 VanDerWaalsContact N-O 3.1Å; D250-D252 PolarHBondContact OD1-N 3.2Å; D252-R254 PolarHBondContact O-N 3.42Å; D252-R254 VanDerWaalsContact O-N 3.11Å; D252-R254 VanDerWaalsContact OD1-CB 3.26Å; D252-R254 WeakPolarHBondContact OD1-CB 3.26Å; D252-R254 PolarHBondContact OD1-N 2.63Å; D252-C255 PolarHBondContact O-N 3.26Å; D252-R256 VanDerWaalsContact CG-NH1 3.32Å; D252-R256 IonicContact OD1-NH1 2.79Å; D252-R256 PolarHBondContact OD1-NH1 3.26Å; D252-R256 VanDerWaalsContact OD1-NH1 3.15Å; D252-R256 WeakPolarHBondContact OD2-CD 3.39Å; D252-R256 WeakPolarHBondContact OD2-CG 3.38Å; D252-R256 IonicContact OD2-CZ 3.51Å; D252-R256 IonicContact OD2-NE 3.53Å; D252-R256 IonicContact OD2-NH1 3.31Å; D252-R256 PolarHBondContact OD2-NH1 2.96Å
253P98.1Very high97.7Very high54 Ų5453.4 Ų53.435%0.35131%0.312SS..THydrogen-bonded Turntrans-69.8-8.6-177.830.2-37.6000113.5V240 V241 G251V240-P253 HydrophobicContact CB-CB 3.59Å; V240-P253 HydrophobicContact CG1-CB 3.65Å; V240-P253 HydrophobicContact CG2-CB 4.48Å; V240-P253 PolarHBondContact N-O 3.25Å; V241-P253 PolarHBondContact N-O 2.81Å; G251-P253 VanDerWaalsContact O-CD 3.27Å; G251-P253 WeakPolarHBondContact O-CD 3.22Å; G251-P253 VanDerWaalsContact O-N 3.13Å
254R97.6Very high97.7Very high109 Ų10959.3 Ų59.341%0.41134%0.338SS..THydrogen-bonded Turntrans-94.4-7.8-179.1-58.8-163.5-171103-9.7113.2V241 D252 R256 Y261V241-R254 HydrophobicContact CB-CG 4.23Å; V241-R254 HydrophobicContact CG1-CG 4.39Å; V241-R254 HydrophobicContact CG2-CG 4.34Å; D252-R254 PolarHBondContact O-N 3.42Å; D252-R254 VanDerWaalsContact O-N 3.11Å; D252-R254 VanDerWaalsContact OD1-CB 3.26Å; D252-R254 WeakPolarHBondContact OD1-CB 3.26Å; D252-R254 PolarHBondContact OD1-N 2.63Å; R254-R256 HydrophobicContact CB-CG 4.32Å; R254-R256 PolarHBondContact O-N 3.25Å; R254-Y261 HydrophobicContact CB-CE1 4.48Å; R254-Y261 HydrophobicContact CB-CE2 3.73Å; R254-Y261 WeakPolarHBondContact CB-OH 3.37Å; R254-Y261 WeakPolarHBondContact O-CE2 3.49Å; R254-Y261 PolarHBondContact O-OH 3.46Å
255C98.3Very high97.7Very high0 Ų058.8 Ų58.80%033%0.331CS..  trans54.448.3-179.4-61.50000113P239 L246 D248 D252 T257 M258 I259P239-C255 HydrophobicContact CB-CB 4.39Å; P239-C255 HydrophobicContact CG-CB 4.22Å; L246-C255 PolarHBondContact O-SG 3.26Å; D248-C255 VanDerWaalsContact CG-CA 3.49Å; D248-C255 VanDerWaalsContact OD1-CA 3.31Å; D248-C255 WeakPolarHBondContact OD1-CA 3.35Å; D248-C255 WeakPolarHBondContact OD2-CA 3.42Å; D252-C255 PolarHBondContact O-N 3.26Å; C255-T257 PolarHBondContact O-N 3.16Å; C255-M258 HydrophobicContact CB-CE 3.86Å; C255-M258 PolarHBondContact O-N 3.02Å; C255-I259 HydrophobicContact CB-CD1 4.45Å; C255-I259 PolarHBondContact O-N 3.23Å
256R96.8Very high97.7Very high114 Ų11456.8 Ų56.843%0.4332%0.32SS..THydrogen-bonded Turntrans-64-20.3-177.4-76.4-17417183.72.6114.1D248 D252 R254 M258 I259 Y261D248-R256 PolarHBondContact OD2-N 3.21Å; D252-R256 VanDerWaalsContact CG-NH1 3.32Å; D252-R256 IonicContact OD1-NH1 2.79Å; D252-R256 PolarHBondContact OD1-NH1 3.26Å; D252-R256 VanDerWaalsContact OD1-NH1 3.15Å; D252-R256 WeakPolarHBondContact OD2-CD 3.39Å; D252-R256 WeakPolarHBondContact OD2-CG 3.38Å; D252-R256 IonicContact OD2-CZ 3.51Å; D252-R256 IonicContact OD2-NE 3.53Å; D252-R256 IonicContact OD2-NH1 3.31Å; D252-R256 PolarHBondContact OD2-NH1 2.96Å; R254-R256 HydrophobicContact CB-CG 4.32Å; R254-R256 PolarHBondContact O-N 3.25Å; R256-M258 PolarHBondContact O-N 3.49Å; R256-I259 WeakPolarHBondContact CA-O 3.5Å; R256-Y261 HydrophobicContact CG-CD2 4.04Å; R256-Y261 HydrophobicContact CG-CE2 4.16Å
257T97.1Very high97.5Very high102 Ų10263.2 Ų63.263%0.62635%0.346SS*.THydrogen-bonded Turntrans-67.4-21171.369.60000112.5D248 C255D248-T257 HydrophobicContact CB-CG2 4.22Å; D248-T257 WeakPolarHBondContact OD1-CB 3.3Å; D248-T257 WeakPolarHBondContact OD1-CG2 3.42Å; D248-T257 PolarHBondContact OD1-N 3.39Å; D248-T257 PolarHBondContact OD1-OG1 3.14Å; D248-T257 PolarHBondContact OD2-N 3.43Å; D248-T257 VanDerWaalsContact OD2-N 3.1Å; C255-T257 PolarHBondContact O-N 3.16Å
258M97.5Very high97.4Very high68 Ų6865.8 Ų65.834%0.33537%0.367SS..THydrogen-bonded Turntrans-114.4-31.8-177.2-69.5178.3-84.900113.5G88 C90 L246 C255 R256G88-M258 WeakPolarHBondContact CA-O 3.46Å; C90-M258 HydrophobicContact CB-CB 4.07Å; C90-M258 HydrophobicContact CB-SD 4.29Å; L246-M258 HydrophobicContact CD2-CE 4.23Å; L246-M258 HydrophobicContact CG-CE 4.49Å; C255-M258 HydrophobicContact CB-CE 3.86Å; C255-M258 PolarHBondContact O-N 3.02Å; R256-M258 PolarHBondContact O-N 3.49Å
259I98.4Very high97.4Very high0 Ų068 Ų680%038%0.375CS..  trans-119.4118.4-175.1-53.9173.4000109.7C90 Y101 V103 P239 Y242 C255 R256 Y261C90-I259 HydrophobicContact CB-CD1 3.82Å; C90-I259 HydrophobicContact CB-CG1 3.79Å; Y101-I259 HydrophobicContact CD1-CD1 4.2Å; Y101-I259 HydrophobicContact CD2-CD1 3.7Å; Y101-I259 HydrophobicContact CD2-CG1 4.23Å; Y101-I259 HydrophobicContact CE2-CD1 4.15Å; Y101-I259 HydrophobicContact CG-CD1 3.75Å; Y101-I259 HydrophobicContact CG-CG1 4.41Å; V103-I259 HydrophobicContact CG2-CG2 4.1Å; P239-I259 HydrophobicContact CG-CD1 3.94Å; Y242-I259 HydrophobicContact CE2-CD1 4.31Å; C255-I259 HydrophobicContact CB-CD1 4.45Å; C255-I259 PolarHBondContact O-N 3.23Å; R256-I259 WeakPolarHBondContact CA-O 3.5Å; I259-Y261 HydrophobicContact CB-CE2 3.89Å; I259-Y261 HydrophobicContact CG2-CD2 4.3Å; I259-Y261 HydrophobicContact CG2-CE2 3.79Å; I259-Y261 VanDerWaalsContact O-CD2 3.25Å; I259-Y261 WeakPolarHBondContact O-CD2 3.16Å; I259-Y261 WeakPolarHBondContact O-CE2 3.48Å
260N97.8Very high97.4Very high41 Ų4165.1 Ų65.122%0.21935%0.348CS..BIsolated β-bridgetrans-78.7134.2170.2-170.1-50.4000110E82 K83 V85 S86 G87 G262E82-N260 PolarHBondContact O-ND2 3.09Å; K83-N260 VanDerWaalsContact C-ND2 3.3Å; K83-N260 PolarHBondContact O-ND2 3.02Å; K83-N260 PolarHBondContact O-OD1 3.29Å; V85-N260 WeakPolarHBondContact O-CB 3.44Å; V85-N260 VanDerWaalsContact O-CG 3.29Å; V85-N260 PolarHBondContact O-OD1 2.78Å; S86-N260 CarbonylContact C-O 3.5Å; S86-N260 VanDerWaalsContact CA-O 3.28Å; S86-N260 WeakPolarHBondContact CA-O 3.42Å; G87-N260 PolarHBondContact N-O 3.26Å; G87-N260 PolarHBondContact O-N 2.78Å; N260-G262 WeakPolarHBondContact OD1-CA 3.44Å; N260-G262 PolarHBondContact OD1-N 3.04Å
261Y97.6Very high97.2Very high40 Ų4063.9 Ų63.916%0.15734%0.344CS..  trans-102.216.8-179.5-74.7-96000113.4V103 P106 R254 R256 I259V103-Y261 HydrophobicContact CG1-CD1 4.02Å; V103-Y261 HydrophobicContact CG1-CE1 4.45Å; V103-Y261 HydrophobicContact CG2-CD1 4.14Å; V103-Y261 HydrophobicContact CG2-CE1 4.13Å; P106-Y261 WeakPolarHBondContact CB-O 3.45Å; P106-Y261 WeakPolarHBondContact CG-O 3.35Å; R254-Y261 HydrophobicContact CB-CE1 4.48Å; R254-Y261 HydrophobicContact CB-CE2 3.73Å; R254-Y261 WeakPolarHBondContact CB-OH 3.37Å; R254-Y261 WeakPolarHBondContact O-CE2 3.49Å; R254-Y261 PolarHBondContact O-OH 3.46Å; R256-Y261 HydrophobicContact CG-CD2 4.04Å; R256-Y261 HydrophobicContact CG-CE2 4.16Å; I259-Y261 HydrophobicContact CB-CE2 3.89Å; I259-Y261 HydrophobicContact CG2-CD2 4.3Å; I259-Y261 HydrophobicContact CG2-CE2 3.79Å; I259-Y261 VanDerWaalsContact O-CD2 3.25Å; I259-Y261 WeakPolarHBondContact O-CD2 3.16Å; I259-Y261 WeakPolarHBondContact O-CE2 3.48Å
262G96Very high96.8Very high20 Ų2066.3 Ų66.321%0.20634%0.341CS..  trans60.6-142.8-179.800000113.3Y84 N260Y84-G262 WeakPolarHBondContact O-CA 3.31Å; N260-G262 WeakPolarHBondContact OD1-CA 3.44Å; N260-G262 PolarHBondContact OD1-N 3.04Å
263G96.3Very high95.9Very high23 Ų2373.3 Ų73.324%0.23737%0.372CS..  trans137.8172.5-17800000111.8P106 D108 V265P106-G263 WeakPolarHBondContact O-CA 3.49Å; P106-G263 PolarHBondContact O-N 3.01Å; P106-G263 VanDerWaalsContact O-N 3.13Å; D108-G263 WeakPolarHBondContact CB-O 3.36Å; G263-V265 PolarHBondContact O-N 2.92Å
264I97.4Very high94.9Very high143 Ų14373.3 Ų73.373%0.73337%0.373SS*.PPolyproline II helixtrans-70.7126.9175.1-59.9173.9000108.3Y84 P266Y84-I264 WeakPolarHBondContact CE1-O 3.38Å; I264-P266 WeakPolarHBondContact O-CD 3.4Å
265V98Very high94Very high2 Ų269.3 Ų69.31%0.01236%0.36CS..PPolyproline II helixtrans-73.9125178.6178.80000109V80 Y84 D108 L112 S115 G263 K267 Y269 Y270V80-V265 HydrophobicContact CG2-CG1 3.5Å; V80-V265 HydrophobicContact CG2-CG2 4.23Å; Y84-V265 HydrophobicContact CD1-CG2 4.47Å; Y84-V265 HydrophobicContact CD2-CG2 4.35Å; Y84-V265 HydrophobicContact CG-CG2 3.96Å; D108-V265 HydrophobicContact CB-CG2 4.36Å; D108-V265 PolarHBondContact OD2-N 3.03Å; L112-V265 HydrophobicContact CD2-CG2 3.95Å; L112-V265 HydrophobicContact CG-CG2 3.93Å; S115-V265 WeakPolarHBondContact OG-CG1 3.5Å; G263-V265 PolarHBondContact O-N 2.92Å; V265-K267 PolarHBondContact O-N 2.99Å; V265-Y269 HydrophobicContact CG1-CD2 4.25Å; V265-Y269 HydrophobicContact CG1-CG 4.4Å; V265-Y270 HydrophobicContact CB-CE1 4.23Å; V265-Y270 HydrophobicContact CG1-CD1 4.37Å; V265-Y270 HydrophobicContact CG1-CE1 3.98Å
266P98Very high92.8Very high47 Ų4779.7 Ų79.731%0.30541%0.405SS..PPolyproline II helixtrans-59.6136.7174.4-24.933.7000111.3Y84 I264 S268 Y269Y84-P266 HydrophobicContact CE1-CG 4.43Å; Y84-P266 WeakPolarHBondContact OH-CD 3.5Å; Y84-P266 VanDerWaalsContact OH-CG 3.25Å; Y84-P266 WeakPolarHBondContact OH-CG 3.28Å; I264-P266 WeakPolarHBondContact O-CD 3.4Å; P266-S268 PolarHBondContact O-N 3.42Å; P266-Y269 HydrophobicContact CB-CD2 4Å; P266-Y269 HydrophobicContact CB-CE2 4.31Å; P266-Y269 HydrophobicContact CG-CD2 4.06Å; P266-Y269 HydrophobicContact CG-CE2 4.03Å; P266-Y269 PolarHBondContact O-N 2.93Å
267K95.7Very high91.7Very high173 Ų17375.8 Ų75.875%0.75239%0.394SS*.G310 helixtrans-56.4-21.9179.3-67.5-172.8178.6-177.30113.6V265 Y269 Y270V265-K267 PolarHBondContact O-N 2.99Å; K267-Y269 PolarHBondContact O-N 2.72Å; K267-Y270 HydrophobicContact CG-CE2 4.38Å; K267-Y270 WeakPolarHBondContact O-CB 3.11Å; K267-Y270 PolarHBondContact O-N 3.39Å
268S97.1Very high90.8Very high111 Ų11179.3 Ų79.378%0.77640%0.404SS*.G310 helixtrans-63.2-19.3174.4570000114.1P266P266-S268 PolarHBondContact O-N 3.42Å
269Y97.5Very high90.3Very high51 Ų5178.8 Ų78.820%0.240%0.398CS..G310 helixtrans-84.9-9.8173.4-72.5-79.2000113.3E79 V80 Y84 S115 V265 P266 K267 V271E79-Y269 HydrophobicContact CB-CE1 4.46Å; E79-Y269 HydrophobicContact CG-CE1 4.4Å; E79-Y269 PolarHBondContact OE1-OH 2.98Å; V80-Y269 HydrophobicContact CB-CD1 3.72Å; V80-Y269 HydrophobicContact CB-CE1 4.25Å; V80-Y269 HydrophobicContact CB-CG 4.03Å; V80-Y269 HydrophobicContact CG2-CD1 4.13Å; V80-Y269 HydrophobicContact CG2-CD2 4.41Å; V80-Y269 HydrophobicContact CG2-CG 3.9Å; Y84-Y269 HydrophobicContact CE2-CD2 4.14Å; Y84-Y269 AromaticContact CE2-CE2 3.66Å; Y84-Y269 HydrophobicContact CE2-CE2 3.66Å; S115-Y269 WeakPolarHBondContact CA-O 3.37Å; S115-Y269 VanDerWaalsContact CB-O 3.31Å; S115-Y269 WeakPolarHBondContact CB-O 3.44Å; S115-Y269 PolarHBondContact OG-O 2.92Å; V265-Y269 HydrophobicContact CG1-CD2 4.25Å; V265-Y269 HydrophobicContact CG1-CG 4.4Å; P266-Y269 HydrophobicContact CB-CD2 4Å; P266-Y269 HydrophobicContact CB-CE2 4.31Å; P266-Y269 HydrophobicContact CG-CD2 4.06Å; P266-Y269 HydrophobicContact CG-CE2 4.03Å; P266-Y269 PolarHBondContact O-N 2.93Å; K267-Y269 PolarHBondContact O-N 2.72Å; Y269-V271 PolarHBondContact O-N 3.18Å
270Y96.4Very high89.7Confident72 Ų7284.4 Ų84.428%0.28243%0.428SS..  trans-72.2121.1-172.6-71.523.2000109G111 L114 S115 V265 K267G111-Y270 VanDerWaalsContact CA-OH 3.32Å; G111-Y270 WeakPolarHBondContact CA-OH 3.3Å; L114-Y270 HydrophobicContact CB-CD1 4.47Å; L114-Y270 HydrophobicContact CB-CD2 3.95Å; L114-Y270 HydrophobicContact CB-CE2 4.21Å; L114-Y270 HydrophobicContact CB-CG 4.1Å; L114-Y270 HydrophobicContact CD1-CD2 3.78Å; L114-Y270 HydrophobicContact CD1-CE2 3.49Å; L114-Y270 VanDerWaalsContact CD1-CE2 3.49Å; S115-Y270 VanDerWaalsContact OG-CD1 3.29Å; S115-Y270 WeakPolarHBondContact OG-CD1 3.28Å; V265-Y270 HydrophobicContact CB-CE1 4.23Å; V265-Y270 HydrophobicContact CG1-CD1 4.37Å; V265-Y270 HydrophobicContact CG1-CE1 3.98Å; K267-Y270 HydrophobicContact CG-CE2 4.38Å; K267-Y270 WeakPolarHBondContact O-CB 3.11Å; K267-Y270 PolarHBondContact O-N 3.39Å
271V93.6Very high89.4Confident103 Ų10384.9 Ų84.962%0.62444%0.435SS*.SBendtrans-100-1.8178.2-60.50000112.2L114 Y269L114-V271 WeakPolarHBondContact O-CG2 3.43Å; L114-V271 PolarHBondContact O-N 3.39Å; Y269-V271 PolarHBondContact O-N 3.18Å
272R88.6Confident89.3Confident94 Ų9485.6 Ų85.636%0.35545%0.445SS..  trans-151.3149.2176.667.1-165.966.5-176.90.1110.5L114L114-R272 HydrophobicContact CB-CG 4.3Å; L114-R272 HydrophobicContact CD2-CG 3.73Å; L114-R272 WeakPolarHBondContact O-CG 2.9Å; L114-R272 PolarHBondContact O-N 3.32Å
273E79.6Confident89.3Confident173 Ų17387 Ų8781%0.80845%0.45SS*.SBendtrans-83.1-30.5178.3-62.6-174163.200112.6
274S77.4Confident89.2Confident53 Ų5389.9 Ų89.937%0.37146%0.463SS..SBendtrans-144.7162.1179.964.20000111.4
275L79.3Confident89.1Confident26 Ų2683.5 Ų83.514%0.13643%0.43CS..  trans-87.8141.5168.7-66-173.1000109.7L113 L114 W165 P167 V277L113-L275 HydrophobicContact CB-CD1 4.08Å; L113-L275 HydrophobicContact CB-CD2 4.44Å; L113-L275 HydrophobicContact CD1-CD1 4.33Å; L113-L275 WeakPolarHBondContact O-CD2 3.47Å; L114-L275 HydrophobicContact CD2-CD2 4.28Å; L114-L275 HydrophobicContact CD2-CG 4.31Å; W165-L275 HydrophobicContact CH2-CD1 3.2Å; W165-L275 HydrophobicContact CH2-CG 3.93Å; W165-L275 HydrophobicContact CZ2-CD1 3.78Å; W165-L275 HydrophobicContact CZ2-CG 4.42Å; W165-L275 HydrophobicContact CZ3-CD1 3.97Å; P167-L275 HydrophobicContact CB-CD1 3.5Å; P167-L275 VanDerWaalsContact CB-CD1 3.5Å; P167-L275 HydrophobicContact CG-CD1 3.9Å; L275-V277 PolarHBondContact O-N 3.14Å; L275-V277 VanDerWaalsContact O-N 3.09Å
276K73.4Confident89Confident217 Ų21786.7 Ų86.794%0.94345%0.453SS*.  trans-67.2109.4164.9-72-172.4179.1-176.90107.9
277V73.5Confident88.7Confident33 Ų3391.8 Ų91.820%0.247%0.466CS..PPolyproline II helixtrans-98.9133.8179170.50000108L275 Y279 Q307L275-V277 PolarHBondContact O-N 3.14Å; L275-V277 VanDerWaalsContact O-N 3.09Å; V277-Y279 HydrophobicContact CB-CE1 4.46Å; V277-Y279 HydrophobicContact CB-CE2 4.37Å; V277-Y279 HydrophobicContact CG1-CD1 4.06Å; V277-Y279 HydrophobicContact CG1-CE1 3.75Å; V277-Y279 HydrophobicContact CG1-CE2 4.32Å; V277-Y279 HydrophobicContact CG1-CG 4.47Å; V277-Q307 HydrophobicContact CG1-CG 4.43Å; V277-Q307 VanDerWaalsContact CG2-NE2 3.31Å
278Q77.9Confident88.5Confident176 Ų17685.9 Ų85.982%0.82246%0.455SS*.PPolyproline II helixtrans-84.5129164.3-73.1-173.8-19.900108.8N381Q278-N381 PolarHBondContact O-ND2 2.83Å
279Y85.9Confident88.4Confident57 Ų5783.2 Ų83.222%0.22444%0.436CS..PPolyproline II helixtrans-99.7133.6175.9-61.6-75.9000110V277 S281 Q307 A309 P349 S379 N381V277-Y279 HydrophobicContact CB-CE1 4.46Å; V277-Y279 HydrophobicContact CB-CE2 4.37Å; V277-Y279 HydrophobicContact CG1-CD1 4.06Å; V277-Y279 HydrophobicContact CG1-CE1 3.75Å; V277-Y279 HydrophobicContact CG1-CE2 4.32Å; V277-Y279 HydrophobicContact CG1-CG 4.47Å; Y279-S281 VanDerWaalsContact C-N 3.26Å; Y279-S281 PolarHBondContact O-N 2.92Å; Y279-Q307 HydrophobicContact CE1-CG 4.13Å; Y279-A309 HydrophobicContact CE2-CB 4.01Å; Y279-A309 WeakPolarHBondContact OH-CB 3.36Å; Y279-P349 VanDerWaalsContact OH-CB 3.29Å; Y279-P349 WeakPolarHBondContact OH-CB 3.49Å; Y279-S379 WeakPolarHBondContact CD1-O 3.46Å; Y279-S379 VanDerWaalsContact CD2-CB 3.41Å; Y279-N381 VanDerWaalsContact CA-OD1 3.24Å; Y279-N381 WeakPolarHBondContact CA-OD1 3.28Å
280D86.3Confident88.2Confident118 Ų11883.3 Ų83.363%0.63144%0.444SS*.SBendtrans-72.6-25.4-179.4-58.7-28.4000110.6K166 N381K166-D280 IonicContact NZ-OD2 3.83Å; D280-N381 WeakPolarHBondContact CB-OD1 3.46Å; D280-N381 PolarHBondContact N-OD1 3.5Å; D280-N381 PolarHBondContact OD2-OD1 3.47Å
281S92Very high88.2Confident51 Ų5181.7 Ų81.736%0.35744%0.44SS..EExtended strand (participates in β ladder)trans-139.3151.3-177.4-69.60000112.4Y279 S379 Y380Y279-S281 VanDerWaalsContact C-N 3.26Å; Y279-S281 PolarHBondContact O-N 2.92Å; S281-S379 CarbonylContact O-C 3.55Å; S281-S379 VanDerWaalsContact O-CA 3.3Å; S281-S379 WeakPolarHBondContact O-CA 2.98Å; S281-Y380 PolarHBondContact N-O 3.27Å; S281-Y380 PolarHBondContact O-N 2.81Å
282S94.6Very high88.3Confident54 Ų5480.5 Ų80.538%0.37843%0.428SS..EExtended strand (participates in β ladder)trans-147.3134.1169.5-171.50000111.7K377 V378 S379S282-K377 WeakPolarHBondContact OG-CE 3.4Å; S282-K377 WeakPolarHBondContact OG-CG 3.46Å; S282-V378 CarbonylContact C-O 3.51Å; S282-V378 WeakPolarHBondContact CA-O 3.42Å; S282-V378 PolarHBondContact OG-O 3.27Å; S282-S379 WeakPolarHBondContact CB-OG 3.4Å; S282-S379 PolarHBondContact OG-OG 2.76Å
283V95.8Very high88.6Confident51 Ų5176.9 Ų76.931%0.30942%0.415SS..EExtended strand (participates in β ladder)trans-137.5137.6-175.5-178.40000109.8L291 V378 Y380V283-L291 HydrophobicContact CB-CD2 3.95Å; V283-L291 HydrophobicContact CG1-CD1 4.49Å; V283-L291 HydrophobicContact CG1-CD2 4.04Å; V283-L291 HydrophobicContact CG2-CD2 4.15Å; V283-V378 PolarHBondContact N-O 2.9Å; V283-V378 PolarHBondContact O-N 2.88Å; V283-Y380 HydrophobicContact CG2-CE1 4.07Å
284T96.1Very high89.3Confident83 Ų8372.8 Ų72.851%0.50940%0.396SS..EExtended strand (participates in β ladder)trans-90.8117.2171.4-59.20000110K376T284-K376 CarbonylContact C-O 3.45Å; T284-K376 WeakPolarHBondContact CA-O 3.24Å
285I95.5Very high90.1Very high8 Ų873.3 Ų73.34%0.04139%0.39CS..EExtended strand (participates in β ladder)trans-93.4114.1176.4-49.1178.5000108.2S289 L291 I315 F366 N368 S375 K376 V378I285-S289 WeakPolarHBondContact CG2-O 3.22Å; I285-L291 HydrophobicContact CD1-CB 3.7Å; I285-L291 HydrophobicContact CD1-CD2 4.47Å; I285-L291 HydrophobicContact CG1-CB 4Å; I285-I315 HydrophobicContact CD1-CD1 4.31Å; I285-F366 HydrophobicContact CD1-CB 3.4Å; I285-F366 VanDerWaalsContact CD1-CB 3.4Å; I285-F366 HydrophobicContact CD1-CG 4.35Å; I285-N368 HydrophobicContact CB-CB 4.23Å; I285-N368 HydrophobicContact CG2-CB 3.68Å; I285-N368 PolarHBondContact O-ND2 2.78Å; I285-N368 VanDerWaalsContact O-ND2 3.15Å; I285-S375 CarbonylContact O-C 3.58Å; I285-S375 VanDerWaalsContact O-CA 3.25Å; I285-S375 WeakPolarHBondContact O-CA 3.46Å; I285-S375 WeakPolarHBondContact O-CB 3.31Å; I285-K376 PolarHBondContact N-O 2.66Å; I285-K376 PolarHBondContact O-N 2.95Å; I285-V378 HydrophobicContact CD1-CB 4.49Å; I285-V378 HydrophobicContact CD1-CG2 3.77Å; I285-V378 HydrophobicContact CG1-CG2 4.34Å
286S94.7Very high90.8Very high70 Ų7078.3 Ų78.349%0.4942%0.418SS..  trans-56.8154.8175.8-66.60000111.8S289 N368S286-S289 WeakPolarHBondContact O-CB 3.49Å; S286-S289 PolarHBondContact O-N 2.9Å; S286-N368 PolarHBondContact O-ND2 2.74Å
287R91.8Very high91.8Very high153 Ų15368.1 Ų68.158%0.57737%0.373SS*.THydrogen-bonded Turntrans-55.1143.7170.264.5173.5179.6-176.1-3.5110.7S289 S371 I372R287-S289 PolarHBondContact O-N 2.93Å; R287-S371 WeakPolarHBondContact CB-O 3.38Å; R287-I372 VanDerWaalsContact CD-O 3.27Å; R287-I372 WeakPolarHBondContact CD-O 3.49Å; R287-I372 PolarHBondContact NH1-O 3.43Å
288G92.4Very high92.7Very high50 Ų5071.2 Ų71.252%0.51540%0.402SS..THydrogen-bonded Turntrans70.98.6178.400000114.6N368 S371G288-N368 PolarHBondContact N-O 2.98Å; G288-N368 VanDerWaalsContact N-O 3.07Å; G288-S371 PolarHBondContact N-O 2.9Å
289S93.9Very high93.3Very high54 Ų5464.2 Ų64.238%0.37837%0.374SS..  trans-124.3168.8-174.1-58.60000112.2I285 S286 R287 N368 S369I285-S289 WeakPolarHBondContact CG2-O 3.22Å; S286-S289 WeakPolarHBondContact O-CB 3.49Å; S286-S289 PolarHBondContact O-N 2.9Å; R287-S289 PolarHBondContact O-N 2.93Å; S289-N368 CarbonylContact O-C 3.49Å; S289-N368 VanDerWaalsContact O-C 3.27Å; S289-N368 VanDerWaalsContact O-CA 3.28Å; S289-N368 WeakPolarHBondContact O-CA 3.3Å; S289-N368 WeakPolarHBondContact O-CB 3.24Å; S289-N368 PolarHBondContact O-N 3.27Å; S289-S369 PolarHBondContact O-N 2.79Å
290S94.5Very high93.6Very high54 Ų5464.4 Ų64.438%0.37838%0.383SS..EExtended strand (participates in β ladder)trans-134.2150.5176.362.90000111.2F366S290-F366 CarbonylContact C-O 3.58Å; S290-F366 WeakPolarHBondContact CA-O 2.87Å; S290-F366 WeakPolarHBondContact CB-O 3.3Å
291L95.6Very high93.7Very high37 Ų3762.1 Ų62.119%0.19438%0.376CS..EExtended strand (participates in β ladder)trans-104.7133.2167.4173.367.5000109.2V283 I285 L293 C365 F366 Y380V283-L291 HydrophobicContact CB-CD2 3.95Å; V283-L291 HydrophobicContact CG1-CD1 4.49Å; V283-L291 HydrophobicContact CG1-CD2 4.04Å; V283-L291 HydrophobicContact CG2-CD2 4.15Å; I285-L291 HydrophobicContact CD1-CB 3.7Å; I285-L291 HydrophobicContact CD1-CD2 4.47Å; I285-L291 HydrophobicContact CG1-CB 4Å; L291-L293 HydrophobicContact CD1-CD2 4.1Å; L291-L293 HydrophobicContact CD2-CD2 4.07Å; L291-L293 HydrophobicContact CD2-CG 4.46Å; L291-L293 HydrophobicContact CG-CD2 4Å; L291-L293 HydrophobicContact CG-CG 4.36Å; L291-C365 CarbonylContact O-C 3.46Å; L291-C365 WeakPolarHBondContact O-CA 3.33Å; L291-F366 HydrophobicContact CB-CB 4.3Å; L291-F366 HydrophobicContact CD2-CD2 4.23Å; L291-F366 PolarHBondContact N-O 2.73Å; L291-F366 PolarHBondContact O-N 3Å; L291-Y380 HydrophobicContact CD2-CE1 4.04Å
292Q95.3Very high93.8Very high78 Ų7859.8 Ų59.836%0.36436%0.36SS..EExtended strand (participates in β ladder)trans-117.5127.7175.2-68.2171.736.400108.9V331 V363 L364 C365Q292-V331 HydrophobicContact CG-CG2 4.01Å; Q292-V331 VanDerWaalsContact NE2-CG2 3.32Å; Q292-V363 HydrophobicContact CB-CG1 3.84Å; Q292-V363 HydrophobicContact CG-CG1 4.13Å; Q292-L364 WeakPolarHBondContact CA-O 3.45Å; Q292-C365 HydrophobicContact CG-CB 4.49Å
293L95.3Very high93.7Very high19 Ų1957.5 Ų57.510%0.09934%0.343CS..EExtended strand (participates in β ladder)trans-113.3125.2175.8-53.2176.6000109L291 Y295 V363 L364 F366 Y380 V382L291-L293 HydrophobicContact CD1-CD2 4.1Å; L291-L293 HydrophobicContact CD2-CD2 4.07Å; L291-L293 HydrophobicContact CD2-CG 4.46Å; L291-L293 HydrophobicContact CG-CD2 4Å; L291-L293 HydrophobicContact CG-CG 4.36Å; L293-Y295 HydrophobicContact CB-CD2 4.38Å; L293-Y295 HydrophobicContact CB-CE2 3.8Å; L293-V363 CarbonylContact O-C 3.55Å; L293-V363 VanDerWaalsContact O-CA 3.29Å; L293-V363 WeakPolarHBondContact O-CA 3.24Å; L293-L364 HydrophobicContact CB-CB 4.42Å; L293-L364 PolarHBondContact N-O 2.9Å; L293-L364 PolarHBondContact O-N 3.13Å; L293-F366 HydrophobicContact CD1-CD2 4.41Å; L293-F366 HydrophobicContact CD1-CE2 3.85Å; L293-Y380 HydrophobicContact CD1-CD1 4.48Å; L293-Y380 HydrophobicContact CD1-CD2 3.79Å; L293-Y380 HydrophobicContact CD1-CE1 4.06Å; L293-Y380 HydrophobicContact CD1-CE2 3.29Å; L293-Y380 HydrophobicContact CD1-CG 4.36Å; L293-Y380 VanDerWaalsContact CD1-CZ 3.44Å; L293-Y380 HydrophobicContact CD2-CE2 4.41Å; L293-Y380 WeakPolarHBondContact CD2-OH 3.38Å; L293-Y380 HydrophobicContact CG-CE2 4.48Å; L293-V382 HydrophobicContact CD1-CG2 4.36Å
294E94.7Very high93.6Very high86 Ų8655 Ų5540%0.40233%0.328SS..EExtended strand (participates in β ladder)trans-103.1130.2-177-57.7-174-165.800110.4R322 V361 Y362 V363E294-R322 IonicContact OE1-CZ 2.91Å; E294-R322 IonicContact OE1-NH1 2.91Å; E294-R322 IonicContact OE1-NH2 3.53Å; E294-R322 PolarHBondContact OE1-NH2 2.91Å; E294-R322 IonicContact OE2-CZ 3.18Å; E294-R322 VanDerWaalsContact OE2-CZ 3.27Å; E294-R322 IonicContact OE2-NH1 3.67Å; E294-R322 PolarHBondContact OE2-NH1 2.96Å; E294-R322 IonicContact OE2-NH2 3.37Å; E294-R322 PolarHBondContact OE2-NH2 3.3Å; E294-V361 HydrophobicContact CB-CG1 3.91Å; E294-V361 HydrophobicContact CG-CG1 4.36Å; E294-Y362 WeakPolarHBondContact CA-O 3.31Å; E294-V363 HydrophobicContact CG-CG2 4.25Å
295Y94.9Very high93.5Very high64 Ų6452.3 Ų52.325%0.25131%0.309SS..EExtended strand (participates in β ladder)trans-129.5121.3177.3-73.6-92.7000110.2L293 V297 L304 Y362 L364 V382 V384L293-Y295 HydrophobicContact CB-CD2 4.38Å; L293-Y295 HydrophobicContact CB-CE2 3.8Å; Y295-V297 PolarHBondContact O-N 3.42Å; Y295-L304 HydrophobicContact CG-CD1 4.43Å; Y295-Y362 PolarHBondContact N-O 3.02Å; Y295-Y362 PolarHBondContact O-N 2.84Å; Y295-L364 HydrophobicContact CD2-CD1 3.68Å; Y295-L364 HydrophobicContact CE2-CD1 4.19Å; Y295-V382 HydrophobicContact CD1-CG1 4.36Å; Y295-V382 HydrophobicContact CD2-CG1 3.89Å; Y295-V382 HydrophobicContact CE1-CB 4.27Å; Y295-V382 HydrophobicContact CE1-CG1 3.98Å; Y295-V382 HydrophobicContact CE2-CB 3.84Å; Y295-V382 HydrophobicContact CE2-CG1 3.45Å; Y295-V382 VanDerWaalsContact CE2-CG1 3.45Å; Y295-V382 HydrophobicContact CE2-CG2 4.4Å; Y295-V382 HydrophobicContact CG-CG1 4.33Å; Y295-V382 WeakPolarHBondContact OH-CB 3.48Å; Y295-V384 HydrophobicContact CD1-CG2 3.99Å; Y295-V384 HydrophobicContact CG-CG2 4.26Å
296D93.8Very high93.4Very high132 Ų13252.3 Ų52.371%0.70631%0.308SS*.EExtended strand (participates in β ladder)trans-75.5116.5173.8-73.6-54.3000110.1V361D296-V361 WeakPolarHBondContact OD1-CG2 3.26Å
297V94.3Very high93.3Very high3 Ų349.7 Ų49.72%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-101.9106.8173.9177.80000108.3Y295 A299 C356 P359 G360 Y362 V384Y295-V297 PolarHBondContact O-N 3.42Å; V297-A299 WeakPolarHBondContact CG1-O 3.46Å; V297-C356 HydrophobicContact CG1-CB 3.86Å; V297-P359 CarbonylContact O-C 3.27Å; V297-P359 VanDerWaalsContact O-CA 3.25Å; V297-P359 WeakPolarHBondContact O-CA 3.44Å; V297-P359 WeakPolarHBondContact O-CB 3.46Å; V297-G360 PolarHBondContact N-O 3.39Å; V297-G360 PolarHBondContact O-N 2.87Å; V297-Y362 HydrophobicContact CB-CD2 3.82Å; V297-Y362 HydrophobicContact CB-CE2 3.85Å; V297-Y362 HydrophobicContact CG1-CE2 4.32Å; V297-Y362 HydrophobicContact CG2-CD2 3.4Å; V297-Y362 HydrophobicContact CG2-CE2 3.83Å; V297-Y362 HydrophobicContact CG2-CG 4.2Å; V297-V384 HydrophobicContact CG2-CG1 4.09Å; V297-V384 HydrophobicContact CG2-CG2 4.23Å
298A91.8Very high93.4Very high97 Ų9742.4 Ų42.480%0.80226%0.261SS*.  trans-75.7-30.6-174.700000113.7
299A91.2Very high93.4Very high29 Ų2940.9 Ų40.924%0.2424%0.243CC..SBendtrans-129.2142.1-173.200000111.8V297 S302 P387V297-A299 WeakPolarHBondContact CG1-O 3.46Å; A299-S302 WeakPolarHBondContact O-CB 3.23Å; A299-S302 PolarHBondContact O-OG 3.38Å; A299-P387 HydrophobicContact CB-CG 3.69Å
300P91.1Very high93.3Very high62 Ų6238.5 Ų38.540%0.40323%0.226SC..THydrogen-bonded Turntrans-63.5159.9171.630.7-33.8000110.2S302 C356 S357P300-S302 PolarHBondContact O-N 3.43Å; P300-S302 VanDerWaalsContact O-N 3.17Å; P300-C356 CarbonylContact C-O 3.55Å; P300-S357 WeakPolarHBondContact CB-O 3.25Å
301S89.5Confident93.1Very high70 Ų7040.4 Ų40.449%0.4923%0.232SC..THydrogen-bonded Turntrans647.3-174.9-48.30000115.4C356S301-C356 PolarHBondContact N-O 2.95Å
302S92.5Very high92.4Very high2 Ų241.7 Ų41.71%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-60.5149.5165.6-590000110.1A299 P300 C356 I385 P387A299-S302 WeakPolarHBondContact O-CB 3.23Å; A299-S302 PolarHBondContact O-OG 3.38Å; P300-S302 PolarHBondContact O-N 3.43Å; P300-S302 VanDerWaalsContact O-N 3.17Å; S302-C356 WeakPolarHBondContact O-CB 3.29Å; S302-C356 PolarHBondContact O-N 3.49Å; S302-I385 CarbonylContact C-O 3.51Å; S302-I385 VanDerWaalsContact CA-O 3.29Å; S302-I385 WeakPolarHBondContact CA-O 3.39Å; S302-I385 WeakPolarHBondContact CB-O 3.31Å; S302-P387 WeakPolarHBondContact OG-CD 3.41Å
303L92.9Very high92Very high5 Ų539 Ų393%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-97.3124.7170.3-59.8-178.8000110.2L161 I164 M201 L354 T355 V384 I385L161-L303 HydrophobicContact CD2-CD1 3.52Å; L161-L303 HydrophobicContact CD2-CD2 4.26Å; I164-L303 HydrophobicContact CD1-CD1 3.39Å; M201-L303 HydrophobicContact CE-CD1 4.05Å; M201-L303 HydrophobicContact CE-CG 3.86Å; M201-L303 HydrophobicContact SD-CD1 3.3Å; M201-L303 WeakPolarHBondContact SD-CD1 3.15Å; M201-L303 HydrophobicContact SD-CG 3.8Å; L303-L354 CarbonylContact C-O 3.55Å; L303-L354 WeakPolarHBondContact CA-O 3.42Å; L303-T355 HydrophobicContact CD2-CG2 4.23Å; L303-T355 WeakPolarHBondContact CD2-OG1 3.49Å; L303-V384 CarbonylContact O-C 3.25Å; L303-V384 WeakPolarHBondContact O-CA 3.1Å; L303-I385 HydrophobicContact CB-CB 4.27Å; L303-I385 PolarHBondContact N-O 3.48Å; L303-I385 PolarHBondContact O-N 3.09Å
304L94.8Very high91.8Very high0 Ų039.8 Ų39.80%025%0.25CC..EExtended strand (participates in β ladder)trans-93.9112.4164.2178.866.2000107.7Y295 W306 V319 W353 L354 Y362 L364 V382 V384Y295-L304 HydrophobicContact CG-CD1 4.43Å; L304-W306 HydrophobicContact CD2-CZ3 4.4Å; L304-W306 HydrophobicContact CG-CE3 4.21Å; L304-W306 HydrophobicContact CG-CZ3 4.27Å; L304-W306 WeakPolarHBondContact O-CZ3 3.07Å; L304-V319 HydrophobicContact CD2-CG1 3.91Å; L304-W353 CarbonylContact O-C 3.57Å; L304-W353 VanDerWaalsContact O-CA 3.23Å; L304-W353 WeakPolarHBondContact O-CA 3.33Å; L304-L354 HydrophobicContact CD2-CD2 4.4Å; L304-L354 PolarHBondContact N-O 2.96Å; L304-L354 PolarHBondContact O-N 2.88Å; L304-Y362 HydrophobicContact CD2-CD1 4.33Å; L304-Y362 HydrophobicContact CD2-CG 4.34Å; L304-L364 HydrophobicContact CD1-CD1 4.17Å; L304-L364 HydrophobicContact CD2-CD1 3.81Å; L304-L364 HydrophobicContact CD2-CG 4.37Å; L304-L364 HydrophobicContact CG-CD1 4.43Å; L304-V382 HydrophobicContact CD1-CG1 3.83Å; L304-V384 HydrophobicContact CD1-CG2 3.77Å
305R92.6Very high91.8Very high25 Ų2535.7 Ų35.79%0.09423%0.231CC..EExtended strand (participates in β ladder)trans-111.8139.2-179.2-178.8177.266.8-179.43.3109.8I164 W353 V382 E383I164-R305 PolarHBondContact O-NH1 3.37Å; R305-W353 HydrophobicContact CB-CB 4.2Å; R305-W353 HydrophobicContact CG-CB 4.35Å; R305-V382 WeakPolarHBondContact O-CA 3.36Å; R305-E383 IonicContact CZ-OE2 2.83Å; R305-E383 PolarHBondContact N-O 3.07Å; R305-E383 IonicContact NE-OE2 2.71Å; R305-E383 IonicContact NH2-OE2 3.83Å; R305-E383 PolarHBondContact NH2-OE2 2.81Å; R305-E383 PolarHBondContact O-N 3.19Å
306W93.4Very high91.9Very high9 Ų932.7 Ų32.73%0.03422%0.22CC..EExtended strand (participates in β ladder)trans-136.715217459.986.5000111.8L304 F308 F317 V319 L338 S352 L354 L364 N381 V382L304-W306 HydrophobicContact CD2-CZ3 4.4Å; L304-W306 HydrophobicContact CG-CE3 4.21Å; L304-W306 HydrophobicContact CG-CZ3 4.27Å; L304-W306 WeakPolarHBondContact O-CZ3 3.07Å; W306-F308 AromaticContact CD1-CD1 3.77Å; W306-F308 AromaticContact CD1-CE1 3.73Å; W306-F317 AromaticContact CD1-CE1 3.91Å; W306-F317 AromaticContact CD1-CZ 3.76Å; W306-F317 HydrophobicContact CD2-CE1 4.08Å; W306-F317 AromaticContact CD2-CZ 3.82Å; W306-F317 HydrophobicContact CD2-CZ 3.82Å; W306-F317 AromaticContact CE2-CE1 3.48Å; W306-F317 VanDerWaalsContact CE2-CE1 3.48Å; W306-F317 AromaticContact CE2-CZ 3.73Å; W306-F317 HydrophobicContact CG-CE1 4.32Å; W306-F317 AromaticContact CG-CZ 3.85Å; W306-F317 HydrophobicContact CG-CZ 3.85Å; W306-F317 AromaticContact CZ2-CE1 3.84Å; W306-F317 HydrophobicContact CZ2-CE1 3.84Å; W306-F317 HydrophobicContact CZ2-CZ 4.38Å; W306-F317 AromaticContact NE1-CE1 3.34Å; W306-F317 VanDerWaalsContact NE1-CE1 3.34Å; W306-F317 AromaticContact NE1-CZ 3.66Å; W306-V319 HydrophobicContact CH2-CG2 3.93Å; W306-V319 HydrophobicContact CZ2-CG2 4.36Å; W306-V319 HydrophobicContact CZ3-CG2 4.02Å; W306-L338 HydrophobicContact CH2-CD2 4.06Å; W306-L338 HydrophobicContact CZ2-CD2 3.69Å; W306-S352 PolarHBondContact N-O 2.88Å; W306-S352 PolarHBondContact O-N 2.87Å; W306-L354 HydrophobicContact CH2-CB 3.88Å; W306-L354 HydrophobicContact CZ3-CB 3.75Å; W306-L364 HydrophobicContact CB-CD2 4Å; W306-L364 HydrophobicContact CD2-CD2 4.42Å; W306-L364 HydrophobicContact CE3-CD2 4.25Å; W306-L364 HydrophobicContact CG-CD2 4.34Å; W306-N381 CarbonylContact C-O 3.58Å; W306-N381 VanDerWaalsContact CA-O 3.26Å; W306-N381 WeakPolarHBondContact CA-O 3.37Å; W306-V382 HydrophobicContact CB-CG2 3.96Å
307Q92.5Very high92Very high14 Ų1426.4 Ų26.47%0.06519%0.186CC..EExtended strand (participates in β ladder)trans-139.2133.2167.8-171.1172.738.900108.5V277 Y279 E350 D351 Y380 N381V277-Q307 HydrophobicContact CG1-CG 4.43Å; V277-Q307 VanDerWaalsContact CG2-NE2 3.31Å; Y279-Q307 HydrophobicContact CE1-CG 4.13Å; Q307-E350 CarbonylContact C-O 3.55Å; Q307-E350 WeakPolarHBondContact CA-O 3.3Å; Q307-E350 VanDerWaalsContact CG-O 3.31Å; Q307-E350 WeakPolarHBondContact CG-O 3.49Å; Q307-D351 HydrophobicContact CG-CB 4.08Å; Q307-D351 PolarHBondContact NE2-OD2 3.29Å; Q307-Y380 CarbonylContact O-C 3.44Å; Q307-Y380 WeakPolarHBondContact O-CA 3.17Å; Q307-N381 HydrophobicContact CB-CB 4.47Å; Q307-N381 PolarHBondContact N-O 2.83Å; Q307-N381 PolarHBondContact O-N 2.89Å
308F93.9Very high92.2Very high1 Ų126.3 Ų26.30%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-150.1154.9178.466.3-96.3000113.8W306 I315 F317 Y343 A345 P349 E350 F366 V378 S379W306-F308 AromaticContact CD1-CD1 3.77Å; W306-F308 AromaticContact CD1-CE1 3.73Å; F308-I315 HydrophobicContact CD2-CG2 4.29Å; F308-I315 HydrophobicContact CE2-CG2 3.73Å; F308-F317 HydrophobicContact CD1-CD2 4.44Å; F308-F317 HydrophobicContact CD1-CE2 4.43Å; F308-F317 HydrophobicContact CE1-CB 4.2Å; F308-F317 AromaticContact CE1-CD1 3.81Å; F308-F317 HydrophobicContact CE1-CD1 3.81Å; F308-F317 AromaticContact CE1-CD2 3.8Å; F308-F317 HydrophobicContact CE1-CD2 3.8Å; F308-F317 HydrophobicContact CE1-CE1 4.08Å; F308-F317 HydrophobicContact CE1-CE2 4.04Å; F308-F317 AromaticContact CE1-CG 3.65Å; F308-F317 HydrophobicContact CE1-CG 3.65Å; F308-F317 HydrophobicContact CE1-CZ 4.18Å; F308-F317 HydrophobicContact CZ-CB 3.73Å; F308-F317 HydrophobicContact CZ-CD1 4.08Å; F308-F317 HydrophobicContact CZ-CD2 4.15Å; F308-F317 AromaticContact CZ-CG 3.72Å; F308-F317 HydrophobicContact CZ-CG 3.72Å; F308-Y343 HydrophobicContact CZ-CD2 4.27Å; F308-Y343 HydrophobicContact CZ-CG 4.25Å; F308-A345 HydrophobicContact CD2-CB 3.8Å; F308-A345 HydrophobicContact CE2-CB 3.63Å; F308-P349 CarbonylContact O-C 3.51Å; F308-P349 WeakPolarHBondContact O-CA 3.29Å; F308-E350 HydrophobicContact CD1-CB 4.04Å; F308-E350 HydrophobicContact CD2-CB 4.21Å; F308-E350 HydrophobicContact CD2-CG 4.49Å; F308-E350 HydrophobicContact CE1-CB 3.67Å; F308-E350 HydrophobicContact CE1-CG 4.25Å; F308-E350 HydrophobicContact CE2-CB 3.85Å; F308-E350 HydrophobicContact CE2-CG 3.77Å; F308-E350 HydrophobicContact CG-CB 4.3Å; F308-E350 HydrophobicContact CZ-CB 3.56Å; F308-E350 HydrophobicContact CZ-CG 3.63Å; F308-E350 PolarHBondContact N-O 3.23Å; F308-E350 PolarHBondContact O-N 2.81Å; F308-F366 HydrophobicContact CB-CE1 3.99Å; F308-F366 HydrophobicContact CB-CZ 4.04Å; F308-F366 AromaticContact CD1-CE1 3.61Å; F308-F366 HydrophobicContact CD1-CE1 3.61Å; F308-F366 AromaticContact CD1-CZ 3.88Å; F308-F366 HydrophobicContact CD1-CZ 3.88Å; F308-F366 AromaticContact CD2-CE1 3.72Å; F308-F366 HydrophobicContact CD2-CE1 3.72Å; F308-F366 AromaticContact CE1-CE1 3.92Å; F308-F366 HydrophobicContact CE1-CE1 3.92Å; F308-F366 HydrophobicContact CE1-CZ 4.47Å; F308-F366 HydrophobicContact CE2-CE1 4.03Å; F308-F366 AromaticContact CG-CE1 3.5Å; F308-F366 HydrophobicContact CG-CE1 3.5Å; F308-F366 AromaticContact CG-CZ 3.94Å; F308-F366 HydrophobicContact CG-CZ 3.94Å; F308-F366 HydrophobicContact CZ-CE1 4.12Å; F308-V378 HydrophobicContact CB-CG1 4.32Å; F308-S379 CarbonylContact C-O 3.59Å; F308-S379 WeakPolarHBondContact CA-O 3.39Å; F308-S379 WeakPolarHBondContact CB-O 3.38Å
309A93.2Very high92.4Very high18 Ų1821.7 Ų21.715%0.14915%0.147CC..EExtended strand (participates in β ladder)trans-129.9153.6167.700000109.9Y279 A345 P349 V378 S379Y279-A309 HydrophobicContact CE2-CB 4.01Å; Y279-A309 WeakPolarHBondContact OH-CB 3.36Å; A309-A345 WeakPolarHBondContact CA-O 3.24Å; A309-A345 WeakPolarHBondContact CB-O 3.21Å; A309-P349 HydrophobicContact CB-CB 4.3Å; A309-P349 HydrophobicContact CB-CG 4.22Å; A309-V378 WeakPolarHBondContact O-CA 3.48Å; A309-S379 PolarHBondContact N-O 3.37Å; A309-S379 PolarHBondContact O-N 3.46Å
310S92Very high92.7Very high3 Ų321.4 Ų21.42%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-122.2150.9174.358.70000111.1A313 A345 H346 K377S310-A313 PolarHBondContact OG-O 3.36Å; S310-A345 PolarHBondContact N-O 2.87Å; S310-H346 WeakPolarHBondContact O-CA 3.32Å; S310-H346 WeakPolarHBondContact O-CB 3.38Å; S310-H346 PolarHBondContact OG-N 3.05Å; S310-K377 CarbonylContact C-O 3.5Å; S310-K377 WeakPolarHBondContact CA-O 3.35Å
311D89.8Confident92.8Very high94 Ų9420.8 Ų20.850%0.50313%0.13SC..SBendtrans-84.5134.6173.9-71.7-9.3000111A313 K377D311-A313 VanDerWaalsContact C-N 3.26Å; D311-A313 PolarHBondContact O-N 2.84Å; D311-K377 HydrophobicContact CB-CB 4.25Å; D311-K377 PolarHBondContact N-O 3.03Å
312G81.4Confident92.9Very high65 Ų6518.5 Ų18.567%0.6711%0.111SC*.SBendtrans76.5-28.816000000118.1
313A86.7Confident92.4Very high20 Ų2022 Ų2217%0.16513%0.132CC..SBendtrans-155.2175.6-177.200000112.4S310 D311 H346S310-A313 PolarHBondContact OG-O 3.36Å; D311-A313 VanDerWaalsContact C-N 3.26Å; D311-A313 PolarHBondContact O-N 2.84Å; A313-H346 PolarHBondContact O-ND1 2.88Å; A313-H346 VanDerWaalsContact O-ND1 3.1Å
314D90.3Very high91.5Very high36 Ų3627.2 Ų27.219%0.19315%0.154CC..  trans-60.6156.8175.267.22.4000112.2R342 Y343 Y370 K376D314-R342 VanDerWaalsContact OD2-CD 3.31Å; D314-R342 WeakPolarHBondContact OD2-CD 3.42Å; D314-R342 IonicContact OD2-NH1 3.5Å; D314-Y343 CarbonylContact C-O 3.39Å; D314-Y343 WeakPolarHBondContact CA-O 3.14Å; D314-Y343 WeakPolarHBondContact CB-O 3.4Å; D314-Y370 VanDerWaalsContact CG-OH 3.22Å; D314-Y370 PolarHBondContact O-OH 2.68Å; D314-Y370 WeakPolarHBondContact OD1-CE2 3.04Å; D314-Y370 PolarHBondContact OD1-OH 2.73Å; D314-K376 WeakPolarHBondContact O-CD 3.38Å; D314-K376 WeakPolarHBondContact O-CE 3.29Å; D314-K376 PolarHBondContact O-NZ 2.76Å; D314-K376 IonicContact OD1-NZ 2.97Å
315I95.6Very high90.3Very high0 Ų035.7 Ų35.70%020%0.2CC..EExtended strand (participates in β ladder)trans-132139.2171.4-17267.6000109.2I285 F308 Y343 A345 F366 D367 N368 Y370 K376 V378I285-I315 HydrophobicContact CD1-CD1 4.31Å; F308-I315 HydrophobicContact CD2-CG2 4.29Å; F308-I315 HydrophobicContact CE2-CG2 3.73Å; I315-Y343 PolarHBondContact N-O 2.89Å; I315-Y343 PolarHBondContact O-N 3.34Å; I315-A345 HydrophobicContact CG2-CB 4.29Å; I315-F366 HydrophobicContact CG1-CB 4.39Å; I315-F366 HydrophobicContact CG1-CD1 4.3Å; I315-D367 WeakPolarHBondContact CD1-O 3.05Å; I315-N368 HydrophobicContact CD1-CB 3.97Å; I315-Y370 WeakPolarHBondContact CA-OH 2.97Å; I315-Y370 PolarHBondContact N-OH 2.94Å; I315-K376 HydrophobicContact CB-CD 4.46Å; I315-K376 HydrophobicContact CD1-CB 4.4Å; I315-K376 HydrophobicContact CD1-CD 3.9Å; I315-V378 HydrophobicContact CD1-CG2 4.32Å; I315-V378 HydrophobicContact CG1-CG2 4.1Å
316G96.3Very high89.3Confident2 Ų237 Ų372%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-71.413617100000109.7E341 F366 D367 Y370G316-E341 CarbonylContact C-O 3.46Å; G316-E341 VanDerWaalsContact CA-O 3.28Å; G316-E341 WeakPolarHBondContact CA-O 3.26Å; G316-F366 CarbonylContact O-C 3.59Å; G316-F366 WeakPolarHBondContact O-CA 3Å; G316-D367 WeakPolarHBondContact CA-O 3.38Å; G316-D367 PolarHBondContact N-O 3.35Å; G316-D367 PolarHBondContact O-N 3.22Å; G316-Y370 PolarHBondContact N-OH 3.3Å
317F97.4Very high88.1Confident0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-144.4135.1175.1175.8-94.9000111.3W306 F308 V319 L338 S340 E341 Y343 L364 C365 F366W306-F317 AromaticContact CD1-CE1 3.91Å; W306-F317 AromaticContact CD1-CZ 3.76Å; W306-F317 HydrophobicContact CD2-CE1 4.08Å; W306-F317 AromaticContact CD2-CZ 3.82Å; W306-F317 HydrophobicContact CD2-CZ 3.82Å; W306-F317 AromaticContact CE2-CE1 3.48Å; W306-F317 VanDerWaalsContact CE2-CE1 3.48Å; W306-F317 AromaticContact CE2-CZ 3.73Å; W306-F317 HydrophobicContact CG-CE1 4.32Å; W306-F317 AromaticContact CG-CZ 3.85Å; W306-F317 HydrophobicContact CG-CZ 3.85Å; W306-F317 AromaticContact CZ2-CE1 3.84Å; W306-F317 HydrophobicContact CZ2-CE1 3.84Å; W306-F317 HydrophobicContact CZ2-CZ 4.38Å; W306-F317 AromaticContact NE1-CE1 3.34Å; W306-F317 VanDerWaalsContact NE1-CE1 3.34Å; W306-F317 AromaticContact NE1-CZ 3.66Å; F308-F317 HydrophobicContact CD1-CD2 4.44Å; F308-F317 HydrophobicContact CD1-CE2 4.43Å; F308-F317 HydrophobicContact CE1-CB 4.2Å; F308-F317 AromaticContact CE1-CD1 3.81Å; F308-F317 HydrophobicContact CE1-CD1 3.81Å; F308-F317 AromaticContact CE1-CD2 3.8Å; F308-F317 HydrophobicContact CE1-CD2 3.8Å; F308-F317 HydrophobicContact CE1-CE1 4.08Å; F308-F317 HydrophobicContact CE1-CE2 4.04Å; F308-F317 AromaticContact CE1-CG 3.65Å; F308-F317 HydrophobicContact CE1-CG 3.65Å; F308-F317 HydrophobicContact CE1-CZ 4.18Å; F308-F317 HydrophobicContact CZ-CB 3.73Å; F308-F317 HydrophobicContact CZ-CD1 4.08Å; F308-F317 HydrophobicContact CZ-CD2 4.15Å; F308-F317 AromaticContact CZ-CG 3.72Å; F308-F317 HydrophobicContact CZ-CG 3.72Å; F317-V319 HydrophobicContact CE1-CG2 3.92Å; F317-V319 HydrophobicContact CZ-CG2 3.89Å; F317-L338 HydrophobicContact CD1-CD2 4.32Å; F317-L338 HydrophobicContact CE1-CD2 3.99Å; F317-S340 VanDerWaalsContact O-CA 3.26Å; F317-S340 WeakPolarHBondContact O-CA 3.43Å; F317-E341 PolarHBondContact N-O 2.8Å; F317-E341 PolarHBondContact O-N 2.87Å; F317-Y343 HydrophobicContact CB-CD2 3.67Å; F317-Y343 HydrophobicContact CB-CE2 3.73Å; F317-Y343 HydrophobicContact CD1-CE2 4.08Å; F317-Y343 HydrophobicContact CG-CE2 4.42Å; F317-Y343 WeakPolarHBondContact O-CE2 3.16Å; F317-L364 HydrophobicContact CE2-CB 3.95Å; F317-L364 HydrophobicContact CE2-CD2 4.08Å; F317-L364 HydrophobicContact CE2-CG 4.37Å; F317-L364 HydrophobicContact CZ-CB 4.31Å; F317-L364 HydrophobicContact CZ-CD2 3.91Å; F317-L364 HydrophobicContact CZ-CG 4.27Å; F317-C365 VanDerWaalsContact CA-O 3.31Å; F317-C365 WeakPolarHBondContact CA-O 3.34Å; F317-F366 HydrophobicContact CB-CD1 4.46Å; F317-F366 AromaticContact CD2-CD1 3.64Å; F317-F366 HydrophobicContact CD2-CD1 3.64Å; F317-F366 AromaticContact CD2-CE1 3.39Å; F317-F366 HydrophobicContact CD2-CE1 3.39Å; F317-F366 HydrophobicContact CD2-CE2 4.32Å; F317-F366 HydrophobicContact CD2-CG 4.2Å; F317-F366 AromaticContact CD2-CZ 3.78Å; F317-F366 HydrophobicContact CD2-CZ 3.78Å; F317-F366 HydrophobicContact CE2-CD1 4.41Å; F317-F366 AromaticContact CE2-CE1 3.85Å; F317-F366 HydrophobicContact CE2-CE1 3.85Å; F317-F366 HydrophobicContact CE2-CE2 4.2Å; F317-F366 AromaticContact CE2-CZ 3.73Å; F317-F366 HydrophobicContact CE2-CZ 3.73Å; F317-F366 HydrophobicContact CG-CD1 4.49Å; F317-F366 HydrophobicContact CG-CE1 4.31Å
318G97.1Very high87.1Confident0 Ų050.8 Ų50.80%028%0.28CS..EExtended strand (participates in β ladder)trans-152.7164.7173.600000111.7C365G318-C365 PolarHBondContact N-O 3.43Å; G318-C365 VanDerWaalsContact N-O 3.13Å; G318-C365 PolarHBondContact O-N 3.34Å
319V97.5Very high86.4Confident0 Ų051.3 Ų51.30%028%0.282CS..EExtended strand (participates in β ladder)trans-122.2131.5-179.5-173.70000109.5L304 W306 F317 V337 L338 L354 Y362 L364L304-V319 HydrophobicContact CD2-CG1 3.91Å; W306-V319 HydrophobicContact CH2-CG2 3.93Å; W306-V319 HydrophobicContact CZ2-CG2 4.36Å; W306-V319 HydrophobicContact CZ3-CG2 4.02Å; F317-V319 HydrophobicContact CE1-CG2 3.92Å; F317-V319 HydrophobicContact CZ-CG2 3.89Å; V319-V337 WeakPolarHBondContact O-CA 3.25Å; V319-V337 PolarHBondContact O-N 3.25Å; V319-L338 HydrophobicContact CB-CB 3.76Å; V319-L338 HydrophobicContact CG2-CB 3.97Å; V319-L338 HydrophobicContact CG2-CD2 4.03Å; V319-L338 PolarHBondContact N-O 3.17Å; V319-L338 PolarHBondContact O-N 2.75Å; V319-L354 HydrophobicContact CG1-CD2 4.1Å; V319-Y362 HydrophobicContact CG1-CD1 4.21Å; V319-L364 HydrophobicContact CG2-CG 4.3Å
320Y96.1Very high86.1Confident23 Ų2357.5 Ų57.59%0.0931%0.306CS..EExtended strand (participates in β ladder)trans-126.8160.7-177.4-55.6-96.5000109.9V331 M334 V335 Q336 Y362 V363 C365Y320-V331 HydrophobicContact CD1-CG1 3.8Å; Y320-V331 HydrophobicContact CD2-CG1 3.63Å; Y320-V331 HydrophobicContact CE1-CG1 3.63Å; Y320-V331 HydrophobicContact CE2-CG1 3.48Å; Y320-V331 VanDerWaalsContact CE2-CG1 3.48Å; Y320-V331 HydrophobicContact CG-CG1 3.8Å; Y320-V331 VanDerWaalsContact CZ-CG1 3.47Å; Y320-M334 HydrophobicContact CD1-CB 4.43Å; Y320-V335 CarbonylContact C-O 3.54Å; Y320-V335 VanDerWaalsContact CA-O 3.24Å; Y320-V335 WeakPolarHBondContact CA-O 3.39Å; Y320-Q336 HydrophobicContact CD1-CB 4.1Å; Y320-Q336 HydrophobicContact CD1-CG 4.25Å; Y320-Q336 HydrophobicContact CE1-CB 4.1Å; Y320-Q336 HydrophobicContact CE1-CG 3.91Å; Y320-Y362 CarbonylContact O-C 3.58Å; Y320-Y362 VanDerWaalsContact O-CA 3.3Å; Y320-Y362 WeakPolarHBondContact O-CA 3.17Å; Y320-V363 PolarHBondContact N-O 3.47Å; Y320-V363 PolarHBondContact O-N 2.91Å; Y320-C365 HydrophobicContact CD2-CB 4.14Å; Y320-C365 HydrophobicContact CE2-CB 3.82Å
321R94.6Very high85.8Confident49 Ų4958.4 Ų58.419%0.18531%0.311CS..EExtended strand (participates in β ladder)trans-122.3127.9170.7-170.1-17468.2131.4-12.3109.4M334 V335 V337 E358 V361 Y362R321-M334 WeakPolarHBondContact O-CB 3.38Å; R321-V335 PolarHBondContact N-O 3.22Å; R321-V335 PolarHBondContact O-N 3.49Å; R321-V337 HydrophobicContact CB-CG2 3.78Å; R321-E358 IonicContact CZ-OE2 3.92Å; R321-E358 IonicContact NH1-OE2 2.76Å; R321-E358 PolarHBondContact NH1-OE2 2.72Å; R321-E358 IonicContact NH2-OE1 2.69Å; R321-E358 IonicContact NH2-OE2 3.14Å; R321-E358 PolarHBondContact NH2-OE2 2.67Å; R321-V361 WeakPolarHBondContact CA-O 3.44Å; R321-Y362 HydrophobicContact CB-CD1 4.41Å; R321-Y362 HydrophobicContact CB-CE1 4.33Å; R321-Y362 HydrophobicContact CG-CD2 4.44Å; R321-Y362 HydrophobicContact CG-CE1 4.44Å; R321-Y362 HydrophobicContact CG-CE2 4.22Å
322R91.1Very high85.6Confident23 Ų2358.8 Ų58.89%0.08733%0.327CS..  trans-64.1139.5177.4-168.9176-79.4155.1-4.1110.1E294 K324 V361E294-R322 IonicContact OE1-CZ 2.91Å; E294-R322 IonicContact OE1-NH1 2.91Å; E294-R322 IonicContact OE1-NH2 3.53Å; E294-R322 PolarHBondContact OE1-NH2 2.91Å; E294-R322 IonicContact OE2-CZ 3.18Å; E294-R322 VanDerWaalsContact OE2-CZ 3.27Å; E294-R322 IonicContact OE2-NH1 3.67Å; E294-R322 PolarHBondContact OE2-NH1 2.96Å; E294-R322 IonicContact OE2-NH2 3.37Å; E294-R322 PolarHBondContact OE2-NH2 3.3Å; R322-K324 WeakPolarHBondContact CD-O 3.45Å; R322-K324 WeakPolarHBondContact CG-O 3.36Å; R322-V361 HydrophobicContact CB-CB 3.99Å; R322-V361 PolarHBondContact N-O 2.86Å
323T81.3Confident86Confident76 Ų7660.3 Ų60.347%0.46632%0.317SS..  trans-110.4-13.518052.10000113.7Q329 V335T323-Q329 VanDerWaalsContact N-OE1 3.07Å; T323-Q329 PolarHBondContact OG1-NE2 2.75Å; T323-V335 HydrophobicContact CG2-CB 4.2Å; T323-V335 HydrophobicContact CG2-CG2 3.37Å
324K75.1Confident86.3Confident114 Ų11460 Ų6050%0.49631%0.313SS..SBendtrans-121.8147.9179.1-59.5174.7-176.5164.60109.4R322 S326 E333R322-K324 WeakPolarHBondContact CD-O 3.45Å; R322-K324 WeakPolarHBondContact CG-O 3.36Å; K324-S326 PolarHBondContact O-N 2.92Å; K324-E333 IonicContact NZ-OE2 2.77Å; K324-E333 PolarHBondContact NZ-OE2 2.83Å; K324-E333 VanDerWaalsContact NZ-OE2 3.14Å
325D68.6Low86.5Confident178 Ų17861.4 Ų61.495%0.95232%0.322SS*.SBendtrans-68.83.1176.6-66.8-31000114.5
326S70.9Confident86.5Confident53 Ų5366.6 Ų66.637%0.37135%0.346SS..  trans-83.6124.9176.5-174.70000112.2K324 S328 Q329K324-S326 PolarHBondContact O-N 2.92Å; S326-S328 PolarHBondContact O-N 3.04Å; S326-S328 VanDerWaalsContact O-N 3.17Å; S326-S328 PolarHBondContact OG-N 2.86Å; S326-S328 PolarHBondContact OG-OG 2.84Å; S326-Q329 PolarHBondContact O-N 2.62Å
327R69.2Low86.4Confident209 Ų20968.9 Ų68.979%0.78936%0.36SS*.THydrogen-bonded Turntrans-62.7-16.2170.5-68.8-171.9177.3-174.8-2.7113.8
328S70.6Confident86.3Confident103 Ų10371.1 Ų71.172%0.7237%0.372SS*.THydrogen-bonded Turntrans-92.77.8-178.964.50000114.7S326 K330S326-S328 PolarHBondContact O-N 3.04Å; S326-S328 VanDerWaalsContact O-N 3.17Å; S326-S328 PolarHBondContact OG-N 2.86Å; S326-S328 PolarHBondContact OG-OG 2.84Å; S328-K330 PolarHBondContact O-N 3.47Å
329Q80.4Confident86.2Confident11 Ų1174 Ų745%0.05139%0.39CS..  trans-60.6129.8177-176.3171.521.900110.6T323 S326 E333 M334T323-Q329 VanDerWaalsContact N-OE1 3.07Å; T323-Q329 PolarHBondContact OG1-NE2 2.75Å; S326-Q329 PolarHBondContact O-N 2.62Å; Q329-E333 HydrophobicContact CG-CB 4.03Å; Q329-E333 PolarHBondContact NE2-O 3.1Å; Q329-M334 HydrophobicContact CB-CE 4.18Å; Q329-M334 HydrophobicContact CG-CE 4.33Å; Q329-M334 HydrophobicContact CG-CG 4Å; Q329-M334 WeakPolarHBondContact O-CE 3.28Å
330K85.3Confident86Confident148 Ų14876.3 Ų76.364%0.64341%0.406SS*.  trans-71.2142.3174.8-65.1-179.1-179.4177.40110.1S328 A332 E333S328-K330 PolarHBondContact O-N 3.47Å; K330-A332 PolarHBondContact O-N 3.26Å; K330-A332 VanDerWaalsContact O-N 3.15Å; K330-E333 HydrophobicContact CB-CG 4.49Å; K330-E333 WeakPolarHBondContact O-CB 3.29Å; K330-E333 PolarHBondContact O-N 3.5Å
331V86.6Confident85.9Confident22 Ų2280.6 Ų80.613%0.13343%0.427CS..G310 helixtrans-52.3-38.5178.3171.90000112.5Q292 Y320 E333 M334Q292-V331 HydrophobicContact CG-CG2 4.01Å; Q292-V331 VanDerWaalsContact NE2-CG2 3.32Å; Y320-V331 HydrophobicContact CD1-CG1 3.8Å; Y320-V331 HydrophobicContact CD2-CG1 3.63Å; Y320-V331 HydrophobicContact CE1-CG1 3.63Å; Y320-V331 HydrophobicContact CE2-CG1 3.48Å; Y320-V331 VanDerWaalsContact CE2-CG1 3.48Å; Y320-V331 HydrophobicContact CG-CG1 3.8Å; Y320-V331 VanDerWaalsContact CZ-CG1 3.47Å; V331-E333 PolarHBondContact O-N 2.97Å; V331-E333 VanDerWaalsContact O-N 3.14Å; V331-M334 HydrophobicContact CG2-CE 4.4Å; V331-M334 HydrophobicContact CG2-SD 4.48Å; V331-M334 WeakPolarHBondContact O-CB 3.42Å; V331-M334 PolarHBondContact O-N 2.98Å
332A86.5Confident85.9Confident102 Ų10285.7 Ų85.784%0.84345%0.447SS*.G310 helixtrans-62.9-17.9177.900000114.6K330K330-A332 PolarHBondContact O-N 3.26Å; K330-A332 VanDerWaalsContact O-N 3.15Å
333E88.9Confident86Confident97 Ų9786.5 Ų86.545%0.45345%0.45SS..G310 helixtrans-97.5-6.5176.1-62.1176.3-150.300112.7K324 Q329 K330 V331K324-E333 IonicContact NZ-OE2 2.77Å; K324-E333 PolarHBondContact NZ-OE2 2.83Å; K324-E333 VanDerWaalsContact NZ-OE2 3.14Å; Q329-E333 HydrophobicContact CG-CB 4.03Å; Q329-E333 PolarHBondContact NE2-O 3.1Å; K330-E333 HydrophobicContact CB-CG 4.49Å; K330-E333 WeakPolarHBondContact O-CB 3.29Å; K330-E333 PolarHBondContact O-N 3.5Å; V331-E333 PolarHBondContact O-N 2.97Å; V331-E333 VanDerWaalsContact O-N 3.14Å
334M93.6Very high86.4Confident15 Ų1587.1 Ų87.17%0.07445%0.45CS..SBendtrans-82.1159.3-179.5-61.6-175.2-170.300110.8Y320 R321 Q329 V331 Q336 V363Y320-M334 HydrophobicContact CD1-CB 4.43Å; R321-M334 WeakPolarHBondContact O-CB 3.38Å; Q329-M334 HydrophobicContact CB-CE 4.18Å; Q329-M334 HydrophobicContact CG-CE 4.33Å; Q329-M334 HydrophobicContact CG-CG 4Å; Q329-M334 WeakPolarHBondContact O-CE 3.28Å; V331-M334 HydrophobicContact CG2-CE 4.4Å; V331-M334 HydrophobicContact CG2-SD 4.48Å; V331-M334 WeakPolarHBondContact O-CB 3.42Å; V331-M334 PolarHBondContact O-N 2.98Å; M334-Q336 PolarHBondContact O-N 3.45Å; M334-V363 HydrophobicContact CE-CG2 4.1Å; M334-V363 HydrophobicContact SD-CB 4.06Å; M334-V363 HydrophobicContact SD-CG2 3.73Å
335V93.8Very high87.1Confident64 Ų6481.8 Ų81.839%0.38843%0.427SS..EExtended strand (participates in β ladder)trans-71.8120.1172.1167.70000108.2Y320 R321 T323 V337Y320-V335 CarbonylContact C-O 3.54Å; Y320-V335 VanDerWaalsContact CA-O 3.24Å; Y320-V335 WeakPolarHBondContact CA-O 3.39Å; R321-V335 PolarHBondContact N-O 3.22Å; R321-V335 PolarHBondContact O-N 3.49Å; T323-V335 HydrophobicContact CG2-CB 4.2Å; T323-V335 HydrophobicContact CG2-CG2 3.37Å; V335-V337 PolarHBondContact O-N 3.42Å
336Q95.1Very high87.8Confident110 Ų11076.5 Ų76.551%0.51440%0.397SS..EExtended strand (participates in β ladder)trans-73.5120.3174.5-171178-62.800109.5Y320 M334 P339Y320-Q336 HydrophobicContact CD1-CB 4.1Å; Y320-Q336 HydrophobicContact CD1-CG 4.25Å; Y320-Q336 HydrophobicContact CE1-CB 4.1Å; Y320-Q336 HydrophobicContact CE1-CG 3.91Å; M334-Q336 PolarHBondContact O-N 3.45Å; Q336-P339 VanDerWaalsContact NE2-CB 3.29Å
337V95.4Very high88.4Confident50 Ų5079.7 Ų79.730%0.30341%0.409SS..EExtended strand (participates in β ladder)trans-101.2-42.8179.5-1730000110.6V319 R321 V335 L354 Y362V319-V337 WeakPolarHBondContact O-CA 3.25Å; V319-V337 PolarHBondContact O-N 3.25Å; R321-V337 HydrophobicContact CB-CG2 3.78Å; V335-V337 PolarHBondContact O-N 3.42Å; V337-L354 HydrophobicContact CB-CD2 4.35Å; V337-L354 HydrophobicContact CG1-CD1 3.65Å; V337-L354 HydrophobicContact CG1-CD2 3.48Å; V337-L354 VanDerWaalsContact CG1-CD2 3.48Å; V337-L354 HydrophobicContact CG1-CG 4.18Å; V337-Y362 HydrophobicContact CG1-CE1 4.36Å; V337-Y362 HydrophobicContact CG2-CD1 4.38Å; V337-Y362 HydrophobicContact CG2-CE1 4.06Å
338L95.1Very high89Confident47 Ų4773.2 Ų73.225%0.24639%0.393CS..EExtended strand (participates in β ladder)trans-122.7122.2167.8-177.372.1000108.3W306 F317 V319W306-L338 HydrophobicContact CH2-CD2 4.06Å; W306-L338 HydrophobicContact CZ2-CD2 3.69Å; F317-L338 HydrophobicContact CD1-CD2 4.32Å; F317-L338 HydrophobicContact CE1-CD2 3.99Å; V319-L338 HydrophobicContact CB-CB 3.76Å; V319-L338 HydrophobicContact CG2-CB 3.97Å; V319-L338 HydrophobicContact CG2-CD2 4.03Å; V319-L338 PolarHBondContact N-O 3.17Å; V319-L338 PolarHBondContact O-N 2.75Å
339P94.2Very high89.8Confident59 Ų5969.9 Ų69.938%0.38337%0.369SS..EExtended strand (participates in β ladder)trans-54144.7175.1-22.231.6000113.1Q336 E341Q336-P339 VanDerWaalsContact NE2-CB 3.29Å; P339-E341 PolarHBondContact O-N 2.82Å
340S93.8Very high90.3Very high49 Ų4971.9 Ų71.934%0.34338%0.378SS..EExtended strand (participates in β ladder)trans-73.3117.6173.8-166.70000110.1F317F317-S340 VanDerWaalsContact O-CA 3.26Å; F317-S340 WeakPolarHBondContact O-CA 3.43Å
341E94.8Very high90.5Very high114 Ų11466.7 Ų66.753%0.53336%0.357SS..EExtended strand (participates in β ladder)trans-122.9163.7175.6-66.6-174.5174.800110.7G316 F317 P339 Y343G316-E341 CarbonylContact C-O 3.46Å; G316-E341 VanDerWaalsContact CA-O 3.28Å; G316-E341 WeakPolarHBondContact CA-O 3.26Å; F317-E341 PolarHBondContact N-O 2.8Å; F317-E341 PolarHBondContact O-N 2.87Å; P339-E341 PolarHBondContact O-N 2.82Å; E341-Y343 HydrophobicContact CB-CE2 3.83Å; E341-Y343 VanDerWaalsContact O-CD2 3.25Å; E341-Y343 WeakPolarHBondContact O-CD2 3.33Å; E341-Y343 WeakPolarHBondContact O-CE2 3.31Å
342R94.1Very high90.6Very high156 Ų15667.8 Ų67.859%0.58937%0.366SS*.EExtended strand (participates in β ladder)trans-92.9121175.7-65.3-171-174.7-176.12.7109.9D314 Y370D314-R342 VanDerWaalsContact OD2-CD 3.31Å; D314-R342 WeakPolarHBondContact OD2-CD 3.42Å; D314-R342 IonicContact OD2-NH1 3.5Å; R342-Y370 HydrophobicContact CG-CE1 4.33Å
343Y91.9Very high90.9Very high39 Ų3967.7 Ų67.715%0.15334%0.344CS..EExtended strand (participates in β ladder)trans-108.3130.5-178.4-64.7-88.2000110.7F308 D314 I315 F317 E341 A345 E350F308-Y343 HydrophobicContact CZ-CD2 4.27Å; F308-Y343 HydrophobicContact CZ-CG 4.25Å; D314-Y343 CarbonylContact C-O 3.39Å; D314-Y343 WeakPolarHBondContact CA-O 3.14Å; D314-Y343 WeakPolarHBondContact CB-O 3.4Å; I315-Y343 PolarHBondContact N-O 2.89Å; I315-Y343 PolarHBondContact O-N 3.34Å; F317-Y343 HydrophobicContact CB-CD2 3.67Å; F317-Y343 HydrophobicContact CB-CE2 3.73Å; F317-Y343 HydrophobicContact CD1-CE2 4.08Å; F317-Y343 HydrophobicContact CG-CE2 4.42Å; F317-Y343 WeakPolarHBondContact O-CE2 3.16Å; E341-Y343 HydrophobicContact CB-CE2 3.83Å; E341-Y343 VanDerWaalsContact O-CD2 3.25Å; E341-Y343 WeakPolarHBondContact O-CD2 3.33Å; E341-Y343 WeakPolarHBondContact O-CE2 3.31Å; Y343-A345 PolarHBondContact O-N 2.8Å; Y343-E350 HydrophobicContact CD1-CG 3.65Å; Y343-E350 WeakPolarHBondContact CD1-OE1 3.19Å; Y343-E350 HydrophobicContact CG-CG 3.91Å
344N90.7Very high91.1Very high90 Ų9064.7 Ų64.748%0.48133%0.33SS..  trans-79.351.5173.3-71.2-50.6000111.3H346 L347 V348N344-H346 PolarHBondContact O-N 2.92Å; N344-H346 PolarHBondContact OD1-CE1 2.93Å; N344-L347 HydrophobicContact CB-CD1 4.29Å; N344-L347 PolarHBondContact O-N 2.91Å; N344-V348 PolarHBondContact O-N 2.87Å
345A88.9Confident91.1Very high1 Ų167.3 Ų67.31%0.00835%0.347CS..THydrogen-bonded Turntrans-68.5-2.1-172.200000114.3F308 A309 S310 I315 Y343 V348 E350F308-A345 HydrophobicContact CD2-CB 3.8Å; F308-A345 HydrophobicContact CE2-CB 3.63Å; A309-A345 WeakPolarHBondContact CA-O 3.24Å; A309-A345 WeakPolarHBondContact CB-O 3.21Å; S310-A345 PolarHBondContact N-O 2.87Å; I315-A345 HydrophobicContact CG2-CB 4.29Å; Y343-A345 PolarHBondContact O-N 2.8Å; A345-V348 WeakPolarHBondContact CA-O 3.45Å; A345-E350 HydrophobicContact CB-CG 4.07Å
346H83.2Confident91Very high68 Ų6864.2 Ų64.232%0.31533%0.329SS..THydrogen-bonded Turntrans-82.6-21.5170.464.9-79.9000113.5S310 A313 N344S310-H346 WeakPolarHBondContact O-CA 3.32Å; S310-H346 WeakPolarHBondContact O-CB 3.38Å; S310-H346 PolarHBondContact OG-N 3.05Å; A313-H346 PolarHBondContact O-ND1 2.88Å; A313-H346 VanDerWaalsContact O-ND1 3.1Å; N344-H346 PolarHBondContact O-N 2.92Å; N344-H346 PolarHBondContact OD1-CE1 2.93Å
347L83.8Confident90.8Very high119 Ų11963.2 Ų63.262%0.62333%0.334SS*.THydrogen-bonded Turntrans-92.6-52176.3-58.3179.3000110.3N344N344-L347 HydrophobicContact CB-CD1 4.29Å; N344-L347 PolarHBondContact O-N 2.91Å
348V83Confident90.7Very high74 Ų7465.3 Ų65.345%0.44834%0.34SS..SBendtrans-132.6121.6-179.5-177.80000107.5N344 A345 E350N344-V348 PolarHBondContact O-N 2.87Å; A345-V348 WeakPolarHBondContact CA-O 3.45Å; V348-E350 PolarHBondContact O-N 2.71Å
349P87.8Confident90.6Very high33 Ų3366 Ų6621%0.21435%0.348CS..  trans-55.3139.1174.2-27.936000112.4Y279 F308 A309Y279-P349 VanDerWaalsContact OH-CB 3.29Å; Y279-P349 WeakPolarHBondContact OH-CB 3.49Å; F308-P349 CarbonylContact O-C 3.51Å; F308-P349 WeakPolarHBondContact O-CA 3.29Å; A309-P349 HydrophobicContact CB-CB 4.3Å; A309-P349 HydrophobicContact CB-CG 4.22Å
350E90.3Very high90.5Very high53 Ų5364.6 Ų64.625%0.24834%0.344CS..EExtended strand (participates in β ladder)trans-79.8137.2172.8-68.2-57.5152.500110.1Q307 F308 Y343 A345 V348Q307-E350 CarbonylContact C-O 3.55Å; Q307-E350 WeakPolarHBondContact CA-O 3.3Å; Q307-E350 VanDerWaalsContact CG-O 3.31Å; Q307-E350 WeakPolarHBondContact CG-O 3.49Å; F308-E350 HydrophobicContact CD1-CB 4.04Å; F308-E350 HydrophobicContact CD2-CB 4.21Å; F308-E350 HydrophobicContact CD2-CG 4.49Å; F308-E350 HydrophobicContact CE1-CB 3.67Å; F308-E350 HydrophobicContact CE1-CG 4.25Å; F308-E350 HydrophobicContact CE2-CB 3.85Å; F308-E350 HydrophobicContact CE2-CG 3.77Å; F308-E350 HydrophobicContact CG-CB 4.3Å; F308-E350 HydrophobicContact CZ-CB 3.56Å; F308-E350 HydrophobicContact CZ-CG 3.63Å; F308-E350 PolarHBondContact N-O 3.23Å; F308-E350 PolarHBondContact O-N 2.81Å; Y343-E350 HydrophobicContact CD1-CG 3.65Å; Y343-E350 WeakPolarHBondContact CD1-OE1 3.19Å; Y343-E350 HydrophobicContact CG-CG 3.91Å; A345-E350 HydrophobicContact CB-CG 4.07Å; V348-E350 PolarHBondContact O-N 2.71Å
351D88.7Confident90.6Very high38 Ų3863.5 Ų63.520%0.20334%0.335CS..EExtended strand (participates in β ladder)trans-144.8110.1178.1-172.8-33.9000108.1W165 Q307W165-D351 PolarHBondContact NE1-OD2 2.95Å; Q307-D351 HydrophobicContact CG-CB 4.08Å; Q307-D351 PolarHBondContact NE2-OD2 3.29Å
352S89.6Confident90.6Very high46 Ų4658.1 Ų58.132%0.32231%0.31SS..EExtended strand (participates in β ladder)trans-153.3172.3-175.7-164.30000111W306W306-S352 PolarHBondContact N-O 2.88Å; W306-S352 PolarHBondContact O-N 2.87Å
353W92.4Very high90.7Very high100 Ų10050.7 Ų50.738%0.37928%0.282SS..EExtended strand (participates in β ladder)trans-148.6163.3-179.263.684.3000110.6L161 L304 R305L161-W353 HydrophobicContact CB-CH2 4.27Å; L161-W353 HydrophobicContact CB-CZ2 3.49Å; L161-W353 VanDerWaalsContact CB-CZ2 3.49Å; L161-W353 HydrophobicContact CD1-CZ2 4.13Å; L161-W353 HydrophobicContact CG-CZ2 4.4Å; L304-W353 CarbonylContact O-C 3.57Å; L304-W353 VanDerWaalsContact O-CA 3.23Å; L304-W353 WeakPolarHBondContact O-CA 3.33Å; R305-W353 HydrophobicContact CB-CB 4.2Å; R305-W353 HydrophobicContact CG-CB 4.35Å
354L93.1Very high91Very high33 Ų3348.9 Ų48.917%0.17327%0.274CS..EExtended strand (participates in β ladder)trans-132.6139.5176.2165.774.2000108.5L303 L304 W306 V319 V337 Y362L303-L354 CarbonylContact C-O 3.55Å; L303-L354 WeakPolarHBondContact CA-O 3.42Å; L304-L354 HydrophobicContact CD2-CD2 4.4Å; L304-L354 PolarHBondContact N-O 2.96Å; L304-L354 PolarHBondContact O-N 2.88Å; W306-L354 HydrophobicContact CH2-CB 3.88Å; W306-L354 HydrophobicContact CZ3-CB 3.75Å; V319-L354 HydrophobicContact CG1-CD2 4.1Å; V337-L354 HydrophobicContact CB-CD2 4.35Å; V337-L354 HydrophobicContact CG1-CD1 3.65Å; V337-L354 HydrophobicContact CG1-CD2 3.48Å; V337-L354 VanDerWaalsContact CG1-CD2 3.48Å; V337-L354 HydrophobicContact CG1-CG 4.18Å; L354-Y362 HydrophobicContact CD2-CD1 4.03Å; L354-Y362 HydrophobicContact CD2-CE1 3.91Å
355T92.8Very high91.3Very high70 Ų7045 Ų4543%0.42925%0.254SS..EExtended strand (participates in β ladder)trans-86.5117.1163.1-54.40000109.3L303 S357L303-T355 HydrophobicContact CD2-CG2 4.23Å; L303-T355 WeakPolarHBondContact CD2-OG1 3.49Å; T355-S357 PolarHBondContact O-N 3.04Å
356C93.1Very high91.7Very high0 Ų045 Ų450%025%0.254CS..EExtended strand (participates in β ladder)trans-76.4105.1-179.7-61.80000109.6V297 P300 S301 S302 E358 Y362V297-C356 HydrophobicContact CG1-CB 3.86Å; P300-C356 CarbonylContact C-O 3.55Å; S301-C356 PolarHBondContact N-O 2.95Å; S302-C356 WeakPolarHBondContact O-CB 3.29Å; S302-C356 PolarHBondContact O-N 3.49Å; C356-E358 VanDerWaalsContact C-N 3.29Å; C356-E358 PolarHBondContact O-N 2.9Å; C356-Y362 WeakPolarHBondContact CA-OH 3.45Å; C356-Y362 HydrophobicContact CB-CE1 4.2Å; C356-Y362 HydrophobicContact CB-CE2 3.9Å; C356-Y362 WeakPolarHBondContact CB-OH 3.22Å
357S91.1Very high92.2Very high88 Ų8843.4 Ų43.462%0.61525%0.248SC*.SBendtrans-68.4-29-17855.60000113.3P300 T355P300-S357 WeakPolarHBondContact CB-O 3.25Å; T355-S357 PolarHBondContact O-N 3.04Å
358E91.9Very high92.7Very high95 Ų9537.8 Ų37.844%0.44422%0.219SC..SBendtrans-129.4146.2-177.6-67.7179.2-143.100111R321 C356 Y362R321-E358 IonicContact CZ-OE2 3.92Å; R321-E358 IonicContact NH1-OE2 2.76Å; R321-E358 PolarHBondContact NH1-OE2 2.72Å; R321-E358 IonicContact NH2-OE1 2.69Å; R321-E358 IonicContact NH2-OE2 3.14Å; R321-E358 PolarHBondContact NH2-OE2 2.67Å; C356-E358 VanDerWaalsContact C-N 3.29Å; C356-E358 PolarHBondContact O-N 2.9Å; E358-Y362 VanDerWaalsContact O-CE2 3.29Å; E358-Y362 WeakPolarHBondContact O-CE2 3.32Å; E358-Y362 PolarHBondContact O-OH 2.87Å
359P92.9Very high93Very high62 Ų6237.3 Ų37.340%0.40322%0.219SC..  trans-59.4159.2165.9-22.834.8000112.5V297V297-P359 CarbonylContact O-C 3.27Å; V297-P359 VanDerWaalsContact O-CA 3.25Å; V297-P359 WeakPolarHBondContact O-CA 3.44Å; V297-P359 WeakPolarHBondContact O-CB 3.46Å
360G93.4Very high92.9Very high29 Ų2938.2 Ų38.230%0.29922%0.218SC..EExtended strand (participates in β ladder)trans136.1-171.5173.500000113.1V297V297-G360 PolarHBondContact N-O 3.39Å; V297-G360 PolarHBondContact O-N 2.87Å
361V94.7Very high92.7Very high25 Ų2536.7 Ų36.715%0.15221%0.213CC..EExtended strand (participates in β ladder)trans-85.5114.7179.6-1730000109.6E294 D296 R321 R322 V363E294-V361 HydrophobicContact CB-CG1 3.91Å; E294-V361 HydrophobicContact CG-CG1 4.36Å; D296-V361 WeakPolarHBondContact OD1-CG2 3.26Å; R321-V361 WeakPolarHBondContact CA-O 3.44Å; R322-V361 HydrophobicContact CB-CB 3.99Å; R322-V361 PolarHBondContact N-O 2.86Å; V361-V363 HydrophobicContact CG1-CG2 4.27Å
362Y96.3Very high92.4Very high2 Ų241.5 Ų41.51%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-92.5135.5169.5-72.6-106.1000109.4E294 Y295 V297 L304 V319 Y320 R321 V337 L354 C356 E358E294-Y362 WeakPolarHBondContact CA-O 3.31Å; Y295-Y362 PolarHBondContact N-O 3.02Å; Y295-Y362 PolarHBondContact O-N 2.84Å; V297-Y362 HydrophobicContact CB-CD2 3.82Å; V297-Y362 HydrophobicContact CB-CE2 3.85Å; V297-Y362 HydrophobicContact CG1-CE2 4.32Å; V297-Y362 HydrophobicContact CG2-CD2 3.4Å; V297-Y362 HydrophobicContact CG2-CE2 3.83Å; V297-Y362 HydrophobicContact CG2-CG 4.2Å; L304-Y362 HydrophobicContact CD2-CD1 4.33Å; L304-Y362 HydrophobicContact CD2-CG 4.34Å; V319-Y362 HydrophobicContact CG1-CD1 4.21Å; Y320-Y362 CarbonylContact O-C 3.58Å; Y320-Y362 VanDerWaalsContact O-CA 3.3Å; Y320-Y362 WeakPolarHBondContact O-CA 3.17Å; R321-Y362 HydrophobicContact CB-CD1 4.41Å; R321-Y362 HydrophobicContact CB-CE1 4.33Å; R321-Y362 HydrophobicContact CG-CD2 4.44Å; R321-Y362 HydrophobicContact CG-CE1 4.44Å; R321-Y362 HydrophobicContact CG-CE2 4.22Å; V337-Y362 HydrophobicContact CG1-CE1 4.36Å; V337-Y362 HydrophobicContact CG2-CD1 4.38Å; V337-Y362 HydrophobicContact CG2-CE1 4.06Å; L354-Y362 HydrophobicContact CD2-CD1 4.03Å; L354-Y362 HydrophobicContact CD2-CE1 3.91Å; C356-Y362 WeakPolarHBondContact CA-OH 3.45Å; C356-Y362 HydrophobicContact CB-CE1 4.2Å; C356-Y362 HydrophobicContact CB-CE2 3.9Å; C356-Y362 WeakPolarHBondContact CB-OH 3.22Å; E358-Y362 VanDerWaalsContact O-CE2 3.29Å; E358-Y362 WeakPolarHBondContact O-CE2 3.32Å; E358-Y362 PolarHBondContact O-OH 2.87Å
363V96Very high92Very high0 Ų046.1 Ų46.10%026%0.258CS..EExtended strand (participates in β ladder)trans-117.5112.1-177.3-173.50000108.9Q292 L293 E294 Y320 M334 V361Q292-V363 HydrophobicContact CB-CG1 3.84Å; Q292-V363 HydrophobicContact CG-CG1 4.13Å; L293-V363 CarbonylContact O-C 3.55Å; L293-V363 VanDerWaalsContact O-CA 3.29Å; L293-V363 WeakPolarHBondContact O-CA 3.24Å; E294-V363 HydrophobicContact CG-CG2 4.25Å; Y320-V363 PolarHBondContact N-O 3.47Å; Y320-V363 PolarHBondContact O-N 2.91Å; M334-V363 HydrophobicContact CE-CG2 4.1Å; M334-V363 HydrophobicContact SD-CB 4.06Å; M334-V363 HydrophobicContact SD-CG2 3.73Å; V361-V363 HydrophobicContact CG1-CG2 4.27Å
364L97.2Very high91.7Very high0 Ų046.6 Ų46.60%026%0.264CS..EExtended strand (participates in β ladder)trans-87.6121.1171.1-63.877.1000107.7Q292 L293 Y295 L304 W306 F317 V319 V382Q292-L364 WeakPolarHBondContact CA-O 3.45Å; L293-L364 HydrophobicContact CB-CB 4.42Å; L293-L364 PolarHBondContact N-O 2.9Å; L293-L364 PolarHBondContact O-N 3.13Å; Y295-L364 HydrophobicContact CD2-CD1 3.68Å; Y295-L364 HydrophobicContact CE2-CD1 4.19Å; L304-L364 HydrophobicContact CD1-CD1 4.17Å; L304-L364 HydrophobicContact CD2-CD1 3.81Å; L304-L364 HydrophobicContact CD2-CG 4.37Å; L304-L364 HydrophobicContact CG-CD1 4.43Å; W306-L364 HydrophobicContact CB-CD2 4Å; W306-L364 HydrophobicContact CD2-CD2 4.42Å; W306-L364 HydrophobicContact CE3-CD2 4.25Å; W306-L364 HydrophobicContact CG-CD2 4.34Å; F317-L364 HydrophobicContact CE2-CB 3.95Å; F317-L364 HydrophobicContact CE2-CD2 4.08Å; F317-L364 HydrophobicContact CE2-CG 4.37Å; F317-L364 HydrophobicContact CZ-CB 4.31Å; F317-L364 HydrophobicContact CZ-CD2 3.91Å; F317-L364 HydrophobicContact CZ-CG 4.27Å; V319-L364 HydrophobicContact CG2-CG 4.3Å; L364-V382 HydrophobicContact CD1-CG1 4.25Å; L364-V382 HydrophobicContact CD2-CB 4.39Å; L364-V382 HydrophobicContact CD2-CG1 3.7Å; L364-V382 HydrophobicContact CD2-CG2 3.7Å
365C96.7Very high91.6Very high9 Ų948.4 Ų48.46%0.06128%0.28CS..EExtended strand (participates in β ladder)trans-111.8115.1-176-170.80000109.9L291 Q292 F317 G318 Y320L291-C365 CarbonylContact O-C 3.46Å; L291-C365 WeakPolarHBondContact O-CA 3.33Å; Q292-C365 HydrophobicContact CG-CB 4.49Å; F317-C365 VanDerWaalsContact CA-O 3.31Å; F317-C365 WeakPolarHBondContact CA-O 3.34Å; G318-C365 PolarHBondContact N-O 3.43Å; G318-C365 VanDerWaalsContact N-O 3.13Å; G318-C365 PolarHBondContact O-N 3.34Å; Y320-C365 HydrophobicContact CD2-CB 4.14Å; Y320-C365 HydrophobicContact CE2-CB 3.82Å
366F96.8Very high91.6Very high0 Ų045.2 Ų45.20%026%0.26CS..EExtended strand (participates in β ladder)trans-92.5116.8166.4-66.1-80.9000109.2I285 S290 L291 L293 F308 I315 G316 F317 V378 Y380I285-F366 HydrophobicContact CD1-CB 3.4Å; I285-F366 VanDerWaalsContact CD1-CB 3.4Å; I285-F366 HydrophobicContact CD1-CG 4.35Å; S290-F366 CarbonylContact C-O 3.58Å; S290-F366 WeakPolarHBondContact CA-O 2.87Å; S290-F366 WeakPolarHBondContact CB-O 3.3Å; L291-F366 HydrophobicContact CB-CB 4.3Å; L291-F366 HydrophobicContact CD2-CD2 4.23Å; L291-F366 PolarHBondContact N-O 2.73Å; L291-F366 PolarHBondContact O-N 3Å; L293-F366 HydrophobicContact CD1-CD2 4.41Å; L293-F366 HydrophobicContact CD1-CE2 3.85Å; F308-F366 HydrophobicContact CB-CE1 3.99Å; F308-F366 HydrophobicContact CB-CZ 4.04Å; F308-F366 AromaticContact CD1-CE1 3.61Å; F308-F366 HydrophobicContact CD1-CE1 3.61Å; F308-F366 AromaticContact CD1-CZ 3.88Å; F308-F366 HydrophobicContact CD1-CZ 3.88Å; F308-F366 AromaticContact CD2-CE1 3.72Å; F308-F366 HydrophobicContact CD2-CE1 3.72Å; F308-F366 AromaticContact CE1-CE1 3.92Å; F308-F366 HydrophobicContact CE1-CE1 3.92Å; F308-F366 HydrophobicContact CE1-CZ 4.47Å; F308-F366 HydrophobicContact CE2-CE1 4.03Å; F308-F366 AromaticContact CG-CE1 3.5Å; F308-F366 HydrophobicContact CG-CE1 3.5Å; F308-F366 AromaticContact CG-CZ 3.94Å; F308-F366 HydrophobicContact CG-CZ 3.94Å; F308-F366 HydrophobicContact CZ-CE1 4.12Å; I315-F366 HydrophobicContact CG1-CB 4.39Å; I315-F366 HydrophobicContact CG1-CD1 4.3Å; G316-F366 CarbonylContact O-C 3.59Å; G316-F366 WeakPolarHBondContact O-CA 3Å; F317-F366 HydrophobicContact CB-CD1 4.46Å; F317-F366 AromaticContact CD2-CD1 3.64Å; F317-F366 HydrophobicContact CD2-CD1 3.64Å; F317-F366 AromaticContact CD2-CE1 3.39Å; F317-F366 HydrophobicContact CD2-CE1 3.39Å; F317-F366 HydrophobicContact CD2-CE2 4.32Å; F317-F366 HydrophobicContact CD2-CG 4.2Å; F317-F366 AromaticContact CD2-CZ 3.78Å; F317-F366 HydrophobicContact CD2-CZ 3.78Å; F317-F366 HydrophobicContact CE2-CD1 4.41Å; F317-F366 AromaticContact CE2-CE1 3.85Å; F317-F366 HydrophobicContact CE2-CE1 3.85Å; F317-F366 HydrophobicContact CE2-CE2 4.2Å; F317-F366 AromaticContact CE2-CZ 3.73Å; F317-F366 HydrophobicContact CE2-CZ 3.73Å; F317-F366 HydrophobicContact CG-CD1 4.49Å; F317-F366 HydrophobicContact CG-CE1 4.31Å; F366-V378 HydrophobicContact CD1-CG1 3.9Å; F366-V378 HydrophobicContact CE1-CG1 3.79Å; F366-V378 HydrophobicContact CG-CG1 4.35Å; F366-V378 HydrophobicContact CZ-CG1 4.13Å; F366-Y380 HydrophobicContact CE2-CD1 4.27Å; F366-Y380 HydrophobicContact CE2-CG 4.34Å; F366-Y380 HydrophobicContact CZ-CG 4.43Å
367D94.7Very high91.7Very high36 Ų3649.7 Ų49.719%0.19328%0.279CS..EExtended strand (participates in β ladder)trans-110117.6-172.3-173.519.4000111.9I315 G316 S369 Y370I315-D367 WeakPolarHBondContact CD1-O 3.05Å; G316-D367 WeakPolarHBondContact CA-O 3.38Å; G316-D367 PolarHBondContact N-O 3.35Å; G316-D367 PolarHBondContact O-N 3.22Å; D367-S369 WeakPolarHBondContact OD1-CA 3.2Å; D367-S369 WeakPolarHBondContact OD1-CB 3.41Å; D367-S369 PolarHBondContact OD1-N 2.86Å; D367-S369 PolarHBondContact OD1-OG 2.83Å; D367-S369 PolarHBondContact OD2-OG 2.86Å; D367-Y370 VanDerWaalsContact O-CE1 3.24Å; D367-Y370 WeakPolarHBondContact O-CE1 3.47Å
368N94.6Very high91.9Very high0 Ų045.5 Ų45.50%025%0.25CC..  trans-113.117.6170.8-163.833.2000111.7I285 S286 G288 S289 I315 Y370 S371 Q374 K376I285-N368 HydrophobicContact CB-CB 4.23Å; I285-N368 HydrophobicContact CG2-CB 3.68Å; I285-N368 PolarHBondContact O-ND2 2.78Å; I285-N368 VanDerWaalsContact O-ND2 3.15Å; S286-N368 PolarHBondContact O-ND2 2.74Å; G288-N368 PolarHBondContact N-O 2.98Å; G288-N368 VanDerWaalsContact N-O 3.07Å; S289-N368 CarbonylContact O-C 3.49Å; S289-N368 VanDerWaalsContact O-C 3.27Å; S289-N368 VanDerWaalsContact O-CA 3.28Å; S289-N368 WeakPolarHBondContact O-CA 3.3Å; S289-N368 WeakPolarHBondContact O-CB 3.24Å; S289-N368 PolarHBondContact O-N 3.27Å; I315-N368 HydrophobicContact CD1-CB 3.97Å; N368-Y370 PolarHBondContact O-N 3.15Å; N368-S371 PolarHBondContact O-N 2.76Å; N368-S371 WeakPolarHBondContact OD1-CB 3.45Å; N368-S371 PolarHBondContact OD1-OG 2.88Å; N368-Q374 PolarHBondContact ND2-O 2.71Å; N368-K376 WeakPolarHBondContact OD1-CD 3.47Å; N368-K376 VanDerWaalsContact OD1-CE 3.3Å; N368-K376 WeakPolarHBondContact OD1-CE 3.3Å; N368-K376 PolarHBondContact OD1-NZ 2.85Å
369S88.3Confident92Very high64 Ų6442 Ų4245%0.44824%0.236SC..THydrogen-bonded Turntrans-62.3-29.9-176.567.10000113.3S289 D367 S371S289-S369 PolarHBondContact O-N 2.79Å; D367-S369 WeakPolarHBondContact OD1-CA 3.2Å; D367-S369 WeakPolarHBondContact OD1-CB 3.41Å; D367-S369 PolarHBondContact OD1-N 2.86Å; D367-S369 PolarHBondContact OD1-OG 2.83Å; D367-S369 PolarHBondContact OD2-OG 2.86Å; S369-S371 VanDerWaalsContact C-N 3.33Å; S369-S371 PolarHBondContact O-N 2.93Å
370Y85.8Confident92.1Very high53 Ų5340 Ų4021%0.20822%0.221CC..THydrogen-bonded Turntrans-81.4-7.2-179.263.6-95.5000114.1D314 I315 G316 R342 D367 N368 K376D314-Y370 VanDerWaalsContact CG-OH 3.22Å; D314-Y370 PolarHBondContact O-OH 2.68Å; D314-Y370 WeakPolarHBondContact OD1-CE2 3.04Å; D314-Y370 PolarHBondContact OD1-OH 2.73Å; I315-Y370 WeakPolarHBondContact CA-OH 2.97Å; I315-Y370 PolarHBondContact N-OH 2.94Å; G316-Y370 PolarHBondContact N-OH 3.3Å; R342-Y370 HydrophobicContact CG-CE1 4.33Å; D367-Y370 VanDerWaalsContact O-CE1 3.24Å; D367-Y370 WeakPolarHBondContact O-CE1 3.47Å; N368-Y370 PolarHBondContact O-N 3.15Å; Y370-K376 PolarHBondContact OH-NZ 2.95Å
371S87Confident92.1Very high20 Ų2039.2 Ų39.214%0.1421%0.209CC..  trans-89129.6-179.2-67.70000112.2R287 G288 N368 S369 K376R287-S371 WeakPolarHBondContact CB-O 3.38Å; G288-S371 PolarHBondContact N-O 2.9Å; N368-S371 PolarHBondContact O-N 2.76Å; N368-S371 WeakPolarHBondContact OD1-CB 3.45Å; N368-S371 PolarHBondContact OD1-OG 2.88Å; S369-S371 VanDerWaalsContact C-N 3.33Å; S369-S371 PolarHBondContact O-N 2.93Å; S371-K376 PolarHBondContact OG-NZ 2.86Å
372I81.1Confident92Very high139 Ų13939 Ų3971%0.71321%0.209SC*.SBendtrans-92.1-33.7-173.6-56.2172.7000111.4R287R287-I372 VanDerWaalsContact CD-O 3.27Å; R287-I372 WeakPolarHBondContact CD-O 3.49Å; R287-I372 PolarHBondContact NH1-O 3.43Å
373L81.3Confident91.9Very high144 Ų14442.7 Ų42.775%0.75423%0.226SC*.SBendtrans-115.5-29.8-168.3-64.3174.9000114.4
374Q86.9Confident91.8Very high110 Ų11044.6 Ų44.651%0.51424%0.237SC..  trans-119.4133.4-165.1-63.7177.3-0.100112N368N368-Q374 PolarHBondContact ND2-O 2.71Å
375S91.9Very high91.5Very high71 Ų7145 Ų4550%0.49724%0.239SC..  trans-75.6155.6157.453.80000109.5I285I285-S375 CarbonylContact O-C 3.58Å; I285-S375 VanDerWaalsContact O-CA 3.25Å; I285-S375 WeakPolarHBondContact O-CA 3.46Å; I285-S375 WeakPolarHBondContact O-CB 3.31Å
376K92.6Very high91.1Very high2 Ų248.2 Ų48.21%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-125124.1-179.4-64-173.3-178.1133.60110.1T284 I285 D314 I315 N368 Y370 S371T284-K376 CarbonylContact C-O 3.45Å; T284-K376 WeakPolarHBondContact CA-O 3.24Å; I285-K376 PolarHBondContact N-O 2.66Å; I285-K376 PolarHBondContact O-N 2.95Å; D314-K376 WeakPolarHBondContact O-CD 3.38Å; D314-K376 WeakPolarHBondContact O-CE 3.29Å; D314-K376 PolarHBondContact O-NZ 2.76Å; D314-K376 IonicContact OD1-NZ 2.97Å; I315-K376 HydrophobicContact CB-CD 4.46Å; I315-K376 HydrophobicContact CD1-CB 4.4Å; I315-K376 HydrophobicContact CD1-CD 3.9Å; N368-K376 WeakPolarHBondContact OD1-CD 3.47Å; N368-K376 VanDerWaalsContact OD1-CE 3.3Å; N368-K376 WeakPolarHBondContact OD1-CE 3.3Å; N368-K376 PolarHBondContact OD1-NZ 2.85Å; Y370-K376 PolarHBondContact OH-NZ 2.95Å; S371-K376 PolarHBondContact OG-NZ 2.86Å
377K94.5Very high90.5Very high94 Ų9449.7 Ų49.741%0.40927%0.27SS..EExtended strand (participates in β ladder)trans-80.6122.6167.8-172.9178.7175.9-172.90107.8S282 S310 D311S282-K377 WeakPolarHBondContact OG-CE 3.4Å; S282-K377 WeakPolarHBondContact OG-CG 3.46Å; S310-K377 CarbonylContact C-O 3.5Å; S310-K377 WeakPolarHBondContact CA-O 3.35Å; D311-K377 HydrophobicContact CB-CB 4.25Å; D311-K377 PolarHBondContact N-O 3.03Å
378V95.3Very high89.5Confident0 Ų048.5 Ų48.50%027%0.265CS..EExtended strand (participates in β ladder)trans-110.7130.6175.1-178.40000107.5S282 V283 I285 F308 A309 I315 F366 Y380S282-V378 CarbonylContact C-O 3.51Å; S282-V378 WeakPolarHBondContact CA-O 3.42Å; S282-V378 PolarHBondContact OG-O 3.27Å; V283-V378 PolarHBondContact N-O 2.9Å; V283-V378 PolarHBondContact O-N 2.88Å; I285-V378 HydrophobicContact CD1-CB 4.49Å; I285-V378 HydrophobicContact CD1-CG2 3.77Å; I285-V378 HydrophobicContact CG1-CG2 4.34Å; F308-V378 HydrophobicContact CB-CG1 4.32Å; A309-V378 WeakPolarHBondContact O-CA 3.48Å; I315-V378 HydrophobicContact CD1-CG2 4.32Å; I315-V378 HydrophobicContact CG1-CG2 4.1Å; F366-V378 HydrophobicContact CD1-CG1 3.9Å; F366-V378 HydrophobicContact CE1-CG1 3.79Å; F366-V378 HydrophobicContact CG-CG1 4.35Å; F366-V378 HydrophobicContact CZ-CG1 4.13Å; V378-Y380 HydrophobicContact CG1-CD1 4.24Å
379S95Very high88.1Confident22 Ų2253.1 Ų53.115%0.15429%0.289CS..EExtended strand (participates in β ladder)trans-112.7129.2171.8-640000108.2Y279 S281 S282 F308 A309Y279-S379 WeakPolarHBondContact CD1-O 3.46Å; Y279-S379 VanDerWaalsContact CD2-CB 3.41Å; S281-S379 CarbonylContact O-C 3.55Å; S281-S379 VanDerWaalsContact O-CA 3.3Å; S281-S379 WeakPolarHBondContact O-CA 2.98Å; S282-S379 WeakPolarHBondContact CB-OG 3.4Å; S282-S379 PolarHBondContact OG-OG 2.76Å; F308-S379 CarbonylContact C-O 3.59Å; F308-S379 WeakPolarHBondContact CA-O 3.39Å; F308-S379 WeakPolarHBondContact CB-O 3.38Å; A309-S379 PolarHBondContact N-O 3.37Å; A309-S379 PolarHBondContact O-N 3.46Å
380Y94.5Very high86.6Confident21 Ų2157.8 Ų57.88%0.08230%0.304CS..EExtended strand (participates in β ladder)trans-147.1155.4-171.365.3-94.9000114S281 V283 L291 L293 Q307 F366 V378 V382S281-Y380 PolarHBondContact N-O 3.27Å; S281-Y380 PolarHBondContact O-N 2.81Å; V283-Y380 HydrophobicContact CG2-CE1 4.07Å; L291-Y380 HydrophobicContact CD2-CE1 4.04Å; L293-Y380 HydrophobicContact CD1-CD1 4.48Å; L293-Y380 HydrophobicContact CD1-CD2 3.79Å; L293-Y380 HydrophobicContact CD1-CE1 4.06Å; L293-Y380 HydrophobicContact CD1-CE2 3.29Å; L293-Y380 HydrophobicContact CD1-CG 4.36Å; L293-Y380 VanDerWaalsContact CD1-CZ 3.44Å; L293-Y380 HydrophobicContact CD2-CE2 4.41Å; L293-Y380 WeakPolarHBondContact CD2-OH 3.38Å; L293-Y380 HydrophobicContact CG-CE2 4.48Å; Q307-Y380 CarbonylContact O-C 3.44Å; Q307-Y380 WeakPolarHBondContact O-CA 3.17Å; F366-Y380 HydrophobicContact CE2-CD1 4.27Å; F366-Y380 HydrophobicContact CE2-CG 4.34Å; F366-Y380 HydrophobicContact CZ-CG 4.43Å; V378-Y380 HydrophobicContact CG1-CD1 4.24Å; Y380-V382 HydrophobicContact CD2-CG2 3.93Å
381N92.9Very high85Confident11 Ų1162.6 Ų62.66%0.05933%0.329CS..EExtended strand (participates in β ladder)trans-122.4133.3165.8-69.1-14.5000107.6K166 Q278 Y279 D280 W306 Q307K166-N381 PolarHBondContact NZ-ND2 3.49Å; Q278-N381 PolarHBondContact O-ND2 2.83Å; Y279-N381 VanDerWaalsContact CA-OD1 3.24Å; Y279-N381 WeakPolarHBondContact CA-OD1 3.28Å; D280-N381 WeakPolarHBondContact CB-OD1 3.46Å; D280-N381 PolarHBondContact N-OD1 3.5Å; D280-N381 PolarHBondContact OD2-OD1 3.47Å; W306-N381 CarbonylContact C-O 3.58Å; W306-N381 VanDerWaalsContact CA-O 3.26Å; W306-N381 WeakPolarHBondContact CA-O 3.37Å; Q307-N381 HydrophobicContact CB-CB 4.47Å; Q307-N381 PolarHBondContact N-O 2.83Å; Q307-N381 PolarHBondContact O-N 2.89Å
382V93.7Very high83.6Confident22 Ų2262.6 Ų62.613%0.13333%0.327CS..EExtended strand (participates in β ladder)trans-138.9134.6173.4-178.30000108.5L293 Y295 L304 R305 W306 L364 Y380L293-V382 HydrophobicContact CD1-CG2 4.36Å; Y295-V382 HydrophobicContact CD1-CG1 4.36Å; Y295-V382 HydrophobicContact CD2-CG1 3.89Å; Y295-V382 HydrophobicContact CE1-CB 4.27Å; Y295-V382 HydrophobicContact CE1-CG1 3.98Å; Y295-V382 HydrophobicContact CE2-CB 3.84Å; Y295-V382 HydrophobicContact CE2-CG1 3.45Å; Y295-V382 VanDerWaalsContact CE2-CG1 3.45Å; Y295-V382 HydrophobicContact CE2-CG2 4.4Å; Y295-V382 HydrophobicContact CG-CG1 4.33Å; Y295-V382 WeakPolarHBondContact OH-CB 3.48Å; L304-V382 HydrophobicContact CD1-CG1 3.83Å; R305-V382 WeakPolarHBondContact O-CA 3.36Å; W306-V382 HydrophobicContact CB-CG2 3.96Å; L364-V382 HydrophobicContact CD1-CG1 4.25Å; L364-V382 HydrophobicContact CD2-CB 4.39Å; L364-V382 HydrophobicContact CD2-CG1 3.7Å; L364-V382 HydrophobicContact CD2-CG2 3.7Å; Y380-V382 HydrophobicContact CD2-CG2 3.93Å
383E92.7Very high82.3Confident78 Ų7860.2 Ų60.236%0.36431%0.313SS..EExtended strand (participates in β ladder)trans-141140.7-177.1-172.1179.4-173.700110.3R305 I385R305-E383 IonicContact CZ-OE2 2.83Å; R305-E383 PolarHBondContact N-O 3.07Å; R305-E383 IonicContact NE-OE2 2.71Å; R305-E383 IonicContact NH2-OE2 3.83Å; R305-E383 PolarHBondContact NH2-OE2 2.81Å; R305-E383 PolarHBondContact O-N 3.19Å; E383-I385 HydrophobicContact CG-CG1 4.19Å
384V93.6Very high80.8Confident40 Ų4056.1 Ų56.124%0.24229%0.294CS..EExtended strand (participates in β ladder)trans-102.7117.1167.9-179.90000107.9Y295 V297 L303 L304Y295-V384 HydrophobicContact CD1-CG2 3.99Å; Y295-V384 HydrophobicContact CG-CG2 4.26Å; V297-V384 HydrophobicContact CG2-CG1 4.09Å; V297-V384 HydrophobicContact CG2-CG2 4.23Å; L303-V384 CarbonylContact O-C 3.25Å; L303-V384 WeakPolarHBondContact O-CA 3.1Å; L304-V384 HydrophobicContact CD1-CG2 3.77Å
385I91.1Very high79.2Confident8 Ų852.7 Ų52.74%0.04128%0.279CS..EExtended strand (participates in β ladder)trans-100.6110.4175.5-56.5168.6000106.8M201 L205 S302 L303 E383M201-I385 HydrophobicContact CG-CG2 3.71Å; M201-I385 HydrophobicContact SD-CG2 4.22Å; L205-I385 HydrophobicContact CD1-CD1 4.36Å; L205-I385 HydrophobicContact CD2-CD1 4.17Å; L205-I385 HydrophobicContact CD2-CG1 4.42Å; L205-I385 HydrophobicContact CD2-CG2 4.36Å; S302-I385 CarbonylContact C-O 3.51Å; S302-I385 VanDerWaalsContact CA-O 3.29Å; S302-I385 WeakPolarHBondContact CA-O 3.39Å; S302-I385 WeakPolarHBondContact CB-O 3.31Å; L303-I385 HydrophobicContact CB-CB 4.27Å; L303-I385 PolarHBondContact N-O 3.48Å; L303-I385 PolarHBondContact O-N 3.09Å; E383-I385 HydrophobicContact CG-CG1 4.19Å
386P88.9Confident77.3Confident77 Ų7750.9 Ų50.950%0.527%0.266SS..PPolyproline II helixtrans-63.8158.917927.5-34000111.2
387P85.2Confident75.2Confident32 Ų3255 Ų5521%0.20830%0.295CS..PPolyproline II helixtrans-57.6160.4164.930.9-37.4000109.6A299 S302A299-P387 HydrophobicContact CB-CG 3.69Å; S302-P387 WeakPolarHBondContact OG-CD 3.41Å
388A73.2Confident72.9Confident11 Ų1160.2 Ų60.29%0.09131%0.312CS..PPolyproline II helixtrans-60149.417600000111.8P200 E390 E393P200-A388 HydrophobicContact CB-CB 3.41Å; P200-A388 VanDerWaalsContact CB-CB 3.41Å; P200-A388 HydrophobicContact CG-CB 3.43Å; P200-A388 VanDerWaalsContact CG-CB 3.43Å; A388-E390 PolarHBondContact O-N 3.15Å; A388-E393 HydrophobicContact CB-CG 4.05Å
389D65.4Low70.8Confident96 Ų9661.3 Ų61.351%0.51332%0.323SS..PPolyproline II helixtrans-57.8135.6169.3-67.3-48000109.7Q391 L392 E393D389-Q391 PolarHBondContact O-N 2.89Å; D389-L392 PolarHBondContact O-N 3.18Å; D389-E393 PolarHBondContact O-N 2.84Å
390E56Low68.7Low163 Ų16364 Ų6476%0.76234%0.336SS*.Hα-helixtrans-50.5-31.4179.1-73.5-174.9163.900112.3A388 L392 E393 T394A388-E390 PolarHBondContact O-N 3.15Å; E390-L392 PolarHBondContact O-N 3.07Å; E390-E393 PolarHBondContact O-N 3.01Å; E390-T394 PolarHBondContact O-N 2.96Å; E390-T394 PolarHBondContact O-OG1 3.29Å
391Q52.3Low66.6Low154 Ų15465.3 Ų65.372%0.7235%0.346SS*.Hα-helixtrans-59.7-44.8176.7-68.6-176-2.200112.5D389 E393 T394 L395D389-Q391 PolarHBondContact O-N 2.89Å; Q391-E393 VanDerWaalsContact C-N 3.34Å; Q391-T394 VanDerWaalsContact CA-OG1 3.31Å; Q391-T394 WeakPolarHBondContact CA-OG1 3.25Å; Q391-T394 PolarHBondContact O-N 3.14Å; Q391-T394 PolarHBondContact O-OG1 2.9Å; Q391-L395 VanDerWaalsContact O-CG 3.22Å; Q391-L395 WeakPolarHBondContact O-CG 3.27Å; Q391-L395 PolarHBondContact O-N 3.15Å
392L56.7Low64.5Low19 Ų1966.2 Ų66.210%0.09936%0.358CS..Hα-helixtrans-69.4-32.1176.8-82.2159.5000112.3P200 Y203 N204 D389 E390 L395 C396 L403P200-L392 HydrophobicContact CB-CB 3.61Å; P200-L392 HydrophobicContact CB-CD1 4.42Å; P200-L392 HydrophobicContact CB-CG 4.43Å; P200-L392 HydrophobicContact CG-CB 4.46Å; Y203-L392 HydrophobicContact CD1-CD2 4.08Å; Y203-L392 HydrophobicContact CE1-CD2 4.31Å; N204-L392 WeakPolarHBondContact OD1-CD1 3.38Å; D389-L392 PolarHBondContact O-N 3.18Å; E390-L392 PolarHBondContact O-N 3.07Å; L392-L395 HydrophobicContact CD2-CD1 4.3Å; L392-L395 PolarHBondContact O-N 2.77Å; L392-C396 PolarHBondContact O-N 2.69Å; L392-C396 VanDerWaalsContact O-N 3.14Å; L392-C396 PolarHBondContact O-SG 3.23Å; L392-L403 HydrophobicContact CD2-CD2 3.6Å
393E53.9Low62.3Low90 Ų9065.3 Ų65.342%0.42135%0.352SS..Hα-helixtrans-70.3-38.8173.5-61.3-168.1160.700112P200 A388 D389 E390 Q391 C396 S397P200-E393 HydrophobicContact CG-CG 4.13Å; A388-E393 HydrophobicContact CB-CG 4.05Å; D389-E393 PolarHBondContact O-N 2.84Å; E390-E393 PolarHBondContact O-N 3.01Å; Q391-E393 VanDerWaalsContact C-N 3.34Å; E393-C396 PolarHBondContact O-N 2.76Å; E393-S397 PolarHBondContact O-N 3.22Å; E393-S397 VanDerWaalsContact O-N 3.15Å; E393-S397 PolarHBondContact O-OG 3.34Å
394T50.5Low59.7Low58 Ų5871.9 Ų71.936%0.35638%0.383SS..Hα-helixtrans-65.6-35.3170.934.90000113E390 Q391 S397 R398E390-T394 PolarHBondContact O-N 2.96Å; E390-T394 PolarHBondContact O-OG1 3.29Å; Q391-T394 VanDerWaalsContact CA-OG1 3.31Å; Q391-T394 WeakPolarHBondContact CA-OG1 3.25Å; Q391-T394 PolarHBondContact O-N 3.14Å; Q391-T394 PolarHBondContact O-OG1 2.9Å; T394-S397 VanDerWaalsContact CA-OG 3.26Å; T394-S397 WeakPolarHBondContact CA-OG 3.46Å; T394-S397 PolarHBondContact O-N 3.14Å; T394-S397 PolarHBondContact O-OG 3.17Å; T394-R398 WeakPolarHBondContact O-CB 3.36Å; T394-R398 WeakPolarHBondContact O-CG 3.11Å; T394-R398 PolarHBondContact O-N 2.94Å
395L52.5Low58Low37 Ų3773.5 Ų73.519%0.19439%0.39CS..Hα-helixtrans-63.9-40.3175.2-73.2165000111.6Q391 L392 S397 V401 L403Q391-L395 VanDerWaalsContact O-CG 3.22Å; Q391-L395 WeakPolarHBondContact O-CG 3.27Å; Q391-L395 PolarHBondContact O-N 3.15Å; L392-L395 HydrophobicContact CD2-CD1 4.3Å; L392-L395 PolarHBondContact O-N 2.77Å; L395-S397 VanDerWaalsContact C-N 3.33Å; L395-S397 PolarHBondContact O-N 2.97Å; L395-V401 HydrophobicContact CD2-CB 3.46Å; L395-V401 VanDerWaalsContact CD2-CB 3.46Å; L395-V401 HydrophobicContact CD2-CG1 3.18Å; L395-V401 HydrophobicContact CD2-CG2 4.19Å; L395-L403 HydrophobicContact CB-CD2 4.47Å; L395-L403 HydrophobicContact CD1-CD2 4.05Å
396C52Low56.3Low33 Ų3376.9 Ų76.922%0.22341%0.409CS..Hα-helixtrans-69.6-28.1175.5-63.20000113.2V220 L392 E393V220-C396 HydrophobicContact CG1-CB 4.34Å; L392-C396 PolarHBondContact O-N 2.69Å; L392-C396 VanDerWaalsContact O-N 3.14Å; L392-C396 PolarHBondContact O-SG 3.23Å; E393-C396 PolarHBondContact O-N 2.76Å
397S48.6Very low54.5Low90 Ų9076.9 Ų76.963%0.62940%0.403SS*.Hα-helixtrans-94.4-19.4-174.851.10000114.9E393 T394 L395E393-S397 PolarHBondContact O-N 3.22Å; E393-S397 VanDerWaalsContact O-N 3.15Å; E393-S397 PolarHBondContact O-OG 3.34Å; T394-S397 VanDerWaalsContact CA-OG 3.26Å; T394-S397 WeakPolarHBondContact CA-OG 3.46Å; T394-S397 PolarHBondContact O-N 3.14Å; T394-S397 PolarHBondContact O-OG 3.17Å; L395-S397 VanDerWaalsContact C-N 3.33Å; L395-S397 PolarHBondContact O-N 2.97Å
398R47Very low52.7Low202 Ų20279.5 Ų79.576%0.76242%0.415SS*.Hα-helixtrans-88.3-10.6-176.5-76.2-176.1173.2-172.6-0.3115.9T394 V401T394-R398 WeakPolarHBondContact O-CB 3.36Å; T394-R398 WeakPolarHBondContact O-CG 3.11Å; T394-R398 PolarHBondContact O-N 2.94Å; R398-V401 HydrophobicContact CB-CG2 4.38Å
399G50.5Low51.4Low23 Ų2383.8 Ų83.824%0.23744%0.435CS..SBendtrans72.6135.5-179.100000112.6V401G399-V401 WeakPolarHBondContact O-CG2 3.12Å; G399-V401 PolarHBondContact O-N 3.35Å
400D51.8Low50.4Low80 Ų8083 Ų8343%0.42843%0.43SS..SBendtrans48.358.1176.1-60.2-18.7000115L221L221-D400 WeakPolarHBondContact CD2-OD1 3.1Å
401V50.1Low50Low47 Ų4777.3 Ų77.329%0.28541%0.406SS..EExtended strand (participates in β ladder)trans-122.2124.6170.6-157.10000110.3L395 R398 G399L395-V401 HydrophobicContact CD2-CB 3.46Å; L395-V401 VanDerWaalsContact CD2-CB 3.46Å; L395-V401 HydrophobicContact CD2-CG1 3.18Å; L395-V401 HydrophobicContact CD2-CG2 4.19Å; R398-V401 HydrophobicContact CB-CG2 4.38Å; G399-V401 WeakPolarHBondContact O-CG2 3.12Å; G399-V401 PolarHBondContact O-N 3.35Å
402G49.7Very low49.9Very low30 Ų3071.4 Ų71.431%0.30938%0.382SS..EExtended strand (participates in β ladder)trans-65141.2169.900000110.3Q404G402-Q404 PolarHBondContact O-N 3.22Å
403L46.3Very low49.3Very low3 Ų375.8 Ų75.82%0.01641%0.406CS..  trans-69.7111.9173.4-62.7176.1000108Y203 I218 V220 L392 L395Y203-L403 HydrophobicContact CD1-CD1 4.18Å; Y203-L403 HydrophobicContact CD2-CD1 4.34Å; Y203-L403 HydrophobicContact CE1-CD1 3.69Å; Y203-L403 HydrophobicContact CE2-CD1 3.9Å; Y203-L403 HydrophobicContact CG-CD1 4.47Å; I218-L403 HydrophobicContact CB-CD1 4.01Å; I218-L403 HydrophobicContact CG2-CD1 3.49Å; I218-L403 VanDerWaalsContact CG2-CD1 3.49Å; I218-L403 HydrophobicContact CG2-CG 4.24Å; I218-L403 PolarHBondContact O-N 2.84Å; I218-L403 VanDerWaalsContact O-N 3.15Å; V220-L403 HydrophobicContact CG2-CD1 4.23Å; V220-L403 HydrophobicContact CG2-CD2 4.17Å; V220-L403 HydrophobicContact CG2-CG 4.26Å; L392-L403 HydrophobicContact CD2-CD2 3.6Å; L395-L403 HydrophobicContact CB-CD2 4.47Å; L395-L403 HydrophobicContact CD1-CD2 4.05Å
404Q38.7Very low48.9Very low216 Ų21674.5 Ų74.5100%1.00940%0.404SS*.  trans-700176.7-72.9-170.7-4.400112.1G402G402-Q404 PolarHBondContact O-N 3.22Å

Retrieved 404 of 404 residues in 734.7 ms (Link to these results)

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