A0A061I018_CRIGR Loading...

Actin-related protein T1

AlphaFold DB , UniProt , Accession A0A061I018, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Actrt1, Length 376 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
1M47Very low73.8Confident237 Ų23776.6 Ų76.6100%1.16743%0.425SS*.  0110.10-129.9171.7-169.200105.7S3M1-S3 PolarHBondContact O-N 2.83Å
2F56.2Low75.6Confident51 Ų5170.3 Ų70.322%0.22439%0.389CS..  trans-62.8126175.4-179.5-101.9000108.7L7 P134 T359 E361F2-L7 HydrophobicContact CE1-CD1 4.13Å; F2-L7 HydrophobicContact CE1-CG 4.3Å; F2-L7 HydrophobicContact CZ-CD1 4.07Å; F2-L7 HydrophobicContact CZ-CD2 4.03Å; F2-L7 HydrophobicContact CZ-CG 3.87Å; F2-P134 HydrophobicContact CE2-CB 4.12Å; F2-P134 VanDerWaalsContact CE2-O 3.31Å; F2-P134 WeakPolarHBondContact CE2-O 3.36Å; F2-T359 HydrophobicContact CE1-CG2 3.89Å; F2-T359 HydrophobicContact CE2-CG2 4.24Å; F2-T359 HydrophobicContact CZ-CG2 3.64Å; F2-E361 HydrophobicContact CB-CG 3.82Å; F2-E361 WeakPolarHBondContact CB-OE1 3.31Å; F2-E361 PolarHBondContact N-OE1 3.48Å
3S63Low77.2Confident66 Ų6664.8 Ų64.846%0.46236%0.359SS..  trans-93.7120.3173-178.70000108M1 A5 V6M1-S3 PolarHBondContact O-N 2.83Å; S3-A5 PolarHBondContact O-N 3.32Å; S3-A5 WeakPolarHBondContact OG-CB 3.07Å; S3-V6 WeakPolarHBondContact O-CB 3.28Å; S3-V6 WeakPolarHBondContact O-CG2 3.49Å; S3-V6 PolarHBondContact O-N 3.1Å
4Q67.1Low78.5Confident156 Ų15660.2 Ų60.273%0.72933%0.334SS*.G310 helixtrans-59.7-20.1178-149.1166.77.900112.2V6 L7Q4-V6 PolarHBondContact O-N 2.92Å; Q4-L7 HydrophobicContact CG-CD1 4.47Å; Q4-L7 WeakPolarHBondContact O-CB 3.38Å; Q4-L7 PolarHBondContact O-N 3.46Å; Q4-L7 VanDerWaalsContact O-N 3.1Å
5A70.3Confident79.6Confident54 Ų5456.4 Ų56.445%0.44631%0.312SS..G310 helixtrans-62.3-20.817300000113.8S3 L7 D8S3-A5 PolarHBondContact O-N 3.32Å; S3-A5 WeakPolarHBondContact OG-CB 3.07Å; A5-L7 PolarHBondContact O-N 3.49Å; A5-D8 WeakPolarHBondContact O-CB 3.42Å; A5-D8 PolarHBondContact O-N 3.13Å; A5-D8 VanDerWaalsContact O-N 3.1Å
6V76.4Confident80.4Confident37 Ų3753.9 Ų53.922%0.22430%0.299CS..G310 helixtrans-67.8-27.9175.7-178.50000111S3 Q4 D8 T9 P134S3-V6 WeakPolarHBondContact O-CB 3.28Å; S3-V6 WeakPolarHBondContact O-CG2 3.49Å; S3-V6 PolarHBondContact O-N 3.1Å; Q4-V6 PolarHBondContact O-N 2.92Å; V6-D8 PolarHBondContact O-N 3.33Å; V6-T9 WeakPolarHBondContact O-CB 3.03Å; V6-T9 PolarHBondContact O-N 3.37Å; V6-T9 PolarHBondContact O-OG1 3.29Å; V6-P134 HydrophobicContact CB-CB 4.44Å; V6-P134 HydrophobicContact CG1-CB 3.53Å; V6-P134 HydrophobicContact CG1-CG 3.44Å; V6-P134 VanDerWaalsContact CG1-CG 3.44Å
7L79.1Confident81Confident19 Ų1951.5 Ų51.510%0.09929%0.289CS..G310 helixtrans-75.8-9.6174-59178.7000113.3F2 Q4 A5 T9 A135 W357F2-L7 HydrophobicContact CE1-CD1 4.13Å; F2-L7 HydrophobicContact CE1-CG 4.3Å; F2-L7 HydrophobicContact CZ-CD1 4.07Å; F2-L7 HydrophobicContact CZ-CD2 4.03Å; F2-L7 HydrophobicContact CZ-CG 3.87Å; Q4-L7 HydrophobicContact CG-CD1 4.47Å; Q4-L7 WeakPolarHBondContact O-CB 3.38Å; Q4-L7 PolarHBondContact O-N 3.46Å; Q4-L7 VanDerWaalsContact O-N 3.1Å; A5-L7 PolarHBondContact O-N 3.49Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-A135 HydrophobicContact CD2-CB 3.64Å; L7-W357 HydrophobicContact CD2-CB 4.27Å; L7-W357 HydrophobicContact CD2-CD2 4.46Å; L7-W357 HydrophobicContact CD2-CG 3.93Å
8D81Confident81.5Confident102 Ų10249.2 Ų49.255%0.54528%0.276SS..G310 helixtrans-86.6-10.3171.6-59.8-38.8000111.9A5 V6 K354A5-D8 WeakPolarHBondContact O-CB 3.42Å; A5-D8 PolarHBondContact O-N 3.13Å; A5-D8 VanDerWaalsContact O-N 3.1Å; V6-D8 PolarHBondContact O-N 3.33Å; D8-K354 WeakPolarHBondContact OD1-CE 3.23Å; D8-K354 IonicContact OD1-NZ 3.48Å; D8-K354 PolarHBondContact OD1-NZ 3Å
9T87.2Confident81.8Confident52 Ų5247.4 Ų47.432%0.31927%0.27SS..SBendtrans-79138.7175.4-52.40000109.2V6 L7 A11 Q105V6-T9 WeakPolarHBondContact O-CB 3.03Å; V6-T9 PolarHBondContact O-N 3.37Å; V6-T9 PolarHBondContact O-OG1 3.29Å; L7-T9 VanDerWaalsContact C-N 3.33Å; T9-A11 PolarHBondContact O-N 2.58Å; T9-Q105 HydrophobicContact CG2-CG 4.02Å
10P90.6Very high82.3Confident66 Ų6648.9 Ų48.943%0.42928%0.277SS..PPolyproline II helixtrans-53.3130.3174.8-2735.3000111.6I25P10-I25 HydrophobicContact CB-CG2 3.4Å; P10-I25 VanDerWaalsContact CB-CG2 3.4Å; P10-I25 HydrophobicContact CG-CG2 4.47Å
11A93.9Very high82.8Confident3 Ų346.6 Ų46.63%0.02526%0.264CS..PPolyproline II helixtrans-73.7147.9179.900000111.9T9 S26 P106 T348 W357T9-A11 PolarHBondContact O-N 2.58Å; A11-S26 WeakPolarHBondContact O-CB 3.43Å; A11-S26 PolarHBondContact O-N 3Å; A11-P106 CarbonylContact C-O 3.57Å; A11-P106 VanDerWaalsContact CA-O 3.23Å; A11-P106 WeakPolarHBondContact CA-O 3.29Å; A11-P106 HydrophobicContact CB-CB 4.36Å; A11-P106 HydrophobicContact CB-CG 3.92Å; A11-P106 WeakPolarHBondContact CB-O 3.32Å; A11-T348 HydrophobicContact CB-CG2 4.25Å; A11-W357 HydrophobicContact CB-CH2 3.68Å; A11-W357 HydrophobicContact CB-CZ2 3.9Å
12V95.8Very high85.1Confident0 Ų036.5 Ų36.50%021%0.213CC..EExtended strand (participates in β ladder)trans-79.8131.7164.5-175.90000108.7F14 V23 F94 L98 V100 Q105 P106 V107 F108V12-F14 HydrophobicContact CB-CE2 4.11Å; V12-F14 HydrophobicContact CG1-CD2 4Å; V12-F14 HydrophobicContact CG1-CE1 4.43Å; V12-F14 HydrophobicContact CG1-CE2 3.32Å; V12-F14 HydrophobicContact CG1-CZ 3.59Å; V12-V23 HydrophobicContact CG1-CG2 4.1Å; V12-F94 HydrophobicContact CB-CE1 4.28Å; V12-F94 HydrophobicContact CG1-CE1 4.13Å; V12-F94 HydrophobicContact CG2-CE1 4.18Å; V12-L98 HydrophobicContact CB-CD1 4.47Å; V12-L98 HydrophobicContact CG1-CD1 3.34Å; V12-L98 HydrophobicContact CG2-CD1 4.28Å; V12-V100 HydrophobicContact CG2-CG1 4.29Å; V12-Q105 HydrophobicContact CG2-CB 4.02Å; V12-P106 PolarHBondContact N-O 2.98Å; V12-V107 CarbonylContact O-C 3.46Å; V12-V107 WeakPolarHBondContact O-CA 3.45Å; V12-F108 PolarHBondContact O-N 2.81Å
13I96.3Very high87Confident0 Ų034 Ų340%020%0.203CC..EExtended strand (participates in β ladder)trans-113.7118.9-177.5-57.1173.3000109V23 G24 F108 W341I13-V23 VanDerWaalsContact O-CA 3.32Å; I13-V23 WeakPolarHBondContact O-CA 3.43Å; I13-G24 PolarHBondContact N-O 3.21Å; I13-G24 PolarHBondContact O-N 3.42Å; I13-F108 CarbonylContact C-O 3.52Å; I13-F108 WeakPolarHBondContact CA-O 3.43Å; I13-F108 HydrophobicContact CG1-CB 4.21Å; I13-F108 HydrophobicContact CG2-CD1 3.93Å; I13-W341 HydrophobicContact CB-CZ2 4.29Å; I13-W341 HydrophobicContact CD1-CZ2 4.26Å; I13-W341 HydrophobicContact CG2-CD2 4.45Å; I13-W341 HydrophobicContact CG2-CG 4.13Å; I13-W341 PolarHBondContact O-NE1 3.01Å
14F95.6Very high88.5Confident0 Ų030.9 Ų30.90%018%0.181CC..EExtended strand (participates in β ladder)trans-107.2115.5172.6-66-82.8000110.9V12 V23 L93 F94 V107 F108 M109 T110V12-F14 HydrophobicContact CB-CE2 4.11Å; V12-F14 HydrophobicContact CG1-CD2 4Å; V12-F14 HydrophobicContact CG1-CE1 4.43Å; V12-F14 HydrophobicContact CG1-CE2 3.32Å; V12-F14 HydrophobicContact CG1-CZ 3.59Å; F14-V23 HydrophobicContact CD1-CB 4.21Å; F14-V23 HydrophobicContact CD1-CG2 3.63Å; F14-V23 HydrophobicContact CE1-CB 4.3Å; F14-V23 HydrophobicContact CE1-CG2 3.44Å; F14-V23 VanDerWaalsContact CE1-CG2 3.44Å; F14-V23 HydrophobicContact CG-CG2 4.38Å; F14-V23 HydrophobicContact CZ-CG2 4.03Å; F14-L93 HydrophobicContact CD1-CD1 3.87Å; F14-L93 HydrophobicContact CE1-CB 3.71Å; F14-L93 HydrophobicContact CE1-CD1 3.77Å; F14-L93 HydrophobicContact CE1-CG 4.38Å; F14-F94 HydrophobicContact CD2-CZ 4.43Å; F14-F94 HydrophobicContact CE2-CD1 4.38Å; F14-F94 AromaticContact CE2-CE1 3.58Å; F14-F94 HydrophobicContact CE2-CE1 3.58Å; F14-F94 AromaticContact CE2-CE2 3.74Å; F14-F94 HydrophobicContact CE2-CE2 3.74Å; F14-F94 AromaticContact CE2-CZ 3.21Å; F14-F94 HydrophobicContact CE2-CZ 3.21Å; F14-F94 AromaticContact CZ-CD1 3.89Å; F14-F94 HydrophobicContact CZ-CD1 3.89Å; F14-F94 AromaticContact CZ-CD2 3.89Å; F14-F94 HydrophobicContact CZ-CD2 3.89Å; F14-F94 AromaticContact CZ-CE1 3.55Å; F14-F94 HydrophobicContact CZ-CE1 3.55Å; F14-F94 AromaticContact CZ-CE2 3.54Å; F14-F94 HydrophobicContact CZ-CE2 3.54Å; F14-F94 HydrophobicContact CZ-CG 4.05Å; F14-F94 AromaticContact CZ-CZ 3.37Å; F14-F94 HydrophobicContact CZ-CZ 3.37Å; F14-V107 HydrophobicContact CD2-CG1 3.59Å; F14-V107 HydrophobicContact CE2-CG1 3.71Å; F14-F108 PolarHBondContact N-O 2.85Å; F14-M109 HydrophobicContact CB-CG 4.24Å; F14-M109 HydrophobicContact CD2-CG 4.32Å; F14-M109 CarbonylContact O-C 3.58Å; F14-M109 WeakPolarHBondContact O-CA 3.26Å; F14-T110 PolarHBondContact O-N 3.25Å
15D95Very high89.8Confident3 Ų325 Ų252%0.01615%0.154CC..EExtended strand (participates in β ladder)trans-92.8103.5165.1-176.146.9000110.1G17 C21 K22 T110 H141 S340 W341D15-G17 PolarHBondContact O-N 2.92Å; D15-G17 VanDerWaalsContact O-N 3.15Å; D15-C21 VanDerWaalsContact O-CA 3.31Å; D15-C21 WeakPolarHBondContact O-CA 3.3Å; D15-C21 PolarHBondContact O-SG 2.86Å; D15-K22 HydrophobicContact CB-CB 4.17Å; D15-K22 HydrophobicContact CB-CD 3.96Å; D15-K22 PolarHBondContact N-O 2.92Å; D15-K22 PolarHBondContact O-N 2.74Å; D15-K22 WeakPolarHBondContact OD2-CD 3.4Å; D15-K22 IonicContact OD2-NZ 2.74Å; D15-K22 PolarHBondContact OD2-NZ 2.86Å; D15-T110 WeakPolarHBondContact CA-OG1 3.29Å; D15-T110 HydrophobicContact CB-CG2 4.36Å; D15-T110 PolarHBondContact OD1-OG1 2.97Å; D15-H141 IonicContact OD1-CD2 3.53Å; D15-H141 PolarHBondContact OD1-CD2 3.38Å; D15-H141 IonicContact OD1-NE2 3.24Å; D15-S340 PolarHBondContact OD1-OG 3.24Å; D15-S340 PolarHBondContact OD2-OG 3.39Å; D15-S340 VanDerWaalsContact OD2-OG 3.13Å; D15-W341 HydrophobicContact CB-CB 4.1Å
16N92.3Very high90.9Very high17 Ų1723.1 Ų23.19%0.09114%0.138CC..EExtended strand (participates in β ladder)trans-88.576.8-172.7-61-65.6000111.8I75 M86 W90 M109 T110N16-I75 HydrophobicContact CB-CD1 4.13Å; N16-M86 HydrophobicContact CB-CE 4.39Å; N16-M86 WeakPolarHBondContact OD1-CE 3.48Å; N16-W90 PolarHBondContact OD1-NE1 3.04Å; N16-W90 VanDerWaalsContact OD1-NE1 3.15Å; N16-M109 VanDerWaalsContact ND2-CE 3.28Å; N16-M109 WeakPolarHBondContact ND2-CE 3.39Å; N16-T110 PolarHBondContact N-OG1 2.89Å; N16-T110 VanDerWaalsContact N-OG1 3.11Å; N16-T110 PolarHBondContact ND2-O 3.49Å
17G90.3Very high91.5Very high13 Ų1324 Ų2413%0.13416%0.155CC..  trans-82.9150176.100000113.9D15 G19 L20 S37D15-G17 PolarHBondContact O-N 2.92Å; D15-G17 VanDerWaalsContact O-N 3.15Å; G17-G19 VanDerWaalsContact C-N 3.29Å; G17-G19 PolarHBondContact O-N 3Å; G17-L20 WeakPolarHBondContact CA-O 3.33Å; G17-L20 PolarHBondContact N-O 3.15Å; G17-S37 WeakPolarHBondContact O-CB 3.2Å; G17-S37 PolarHBondContact O-OG 3.28Å
18S89.3Confident92Very high9 Ų926.3 Ų26.36%0.06317%0.165CC..SBendtrans-66-27.8178.4-50.40000114.6G78 R187S18-G78 WeakPolarHBondContact OG-CA 3.27Å; S18-G78 PolarHBondContact OG-N 3.23Å; S18-R187 PolarHBondContact O-NH2 2.86Å
19G88.8Confident92.3Very high16 Ų1629.8 Ų29.817%0.16518%0.182CC..SBendtrans-100-53.1175.700000111.5G17 S36 S37 D161G17-G19 VanDerWaalsContact C-N 3.29Å; G17-G19 PolarHBondContact O-N 3Å; G19-S36 WeakPolarHBondContact O-CA 3.31Å; G19-S37 PolarHBondContact O-N 3.17Å; G19-D161 WeakPolarHBondContact CA-OD2 3.31Å
20L91.8Very high92.4Very high77 Ų7728.5 Ų28.540%0.40318%0.18SC..EExtended strand (participates in β ladder)trans-122.8130.9-176.8-60.4173.7000110.7G17 V34 I35G17-L20 WeakPolarHBondContact CA-O 3.33Å; G17-L20 PolarHBondContact N-O 3.15Å; L20-V34 HydrophobicContact CB-CG1 4.25Å; L20-V34 HydrophobicContact CD1-CG1 4.07Å; L20-V34 HydrophobicContact CD2-CG1 4.4Å; L20-V34 HydrophobicContact CG-CG1 4.48Å; L20-I35 CarbonylContact C-O 3.39Å; L20-I35 VanDerWaalsContact CA-O 3.3Å; L20-I35 WeakPolarHBondContact CA-O 3.43Å
21C93Very high92.6Very high0 Ų026.4 Ų26.40%017%0.166CC..EExtended strand (participates in β ladder)trans-96.3130.9165.9-173.80000108.8D15 I35 S37D15-C21 VanDerWaalsContact O-CA 3.31Å; D15-C21 WeakPolarHBondContact O-CA 3.3Å; D15-C21 PolarHBondContact O-SG 2.86Å; C21-I35 HydrophobicContact CB-CG1 4.13Å; C21-I35 PolarHBondContact N-O 3.15Å; C21-I35 PolarHBondContact O-N 3.04Å; C21-S37 PolarHBondContact N-OG 3.09Å
22K94.6Very high92.5Very high25 Ų2533 Ų3311%0.10919%0.19CC..EExtended strand (participates in β ladder)trans-114.2136.4176.7-50.294178.2178.10109.2D15 P31 H33 V34 Y338D15-K22 HydrophobicContact CB-CB 4.17Å; D15-K22 HydrophobicContact CB-CD 3.96Å; D15-K22 PolarHBondContact N-O 2.92Å; D15-K22 PolarHBondContact O-N 2.74Å; D15-K22 WeakPolarHBondContact OD2-CD 3.4Å; D15-K22 IonicContact OD2-NZ 2.74Å; D15-K22 PolarHBondContact OD2-NZ 2.86Å; K22-P31 HydrophobicContact CB-CB 3.71Å; K22-P31 HydrophobicContact CB-CG 4.04Å; K22-P31 HydrophobicContact CG-CG 4.35Å; K22-H33 WeakPolarHBondContact CA-O 3.48Å; K22-V34 HydrophobicContact CB-CG2 4.34Å; K22-V34 HydrophobicContact CG-CB 4.39Å; K22-V34 HydrophobicContact CG-CG1 4.06Å; K22-V34 HydrophobicContact CG-CG2 3.86Å; K22-Y338 HydrophobicContact CG-CD1 4.2Å; K22-Y338 HydrophobicContact CG-CE1 4.35Å
23V95.2Very high92.4Very high0 Ų035.2 Ų35.20%020%0.2CC..EExtended strand (participates in β ladder)trans-135.8145.1-177.472.20000110.7V12 I13 F14 R32 H33 L93 L98V12-V23 HydrophobicContact CG1-CG2 4.1Å; I13-V23 VanDerWaalsContact O-CA 3.32Å; I13-V23 WeakPolarHBondContact O-CA 3.43Å; F14-V23 HydrophobicContact CD1-CB 4.21Å; F14-V23 HydrophobicContact CD1-CG2 3.63Å; F14-V23 HydrophobicContact CE1-CB 4.3Å; F14-V23 HydrophobicContact CE1-CG2 3.44Å; F14-V23 VanDerWaalsContact CE1-CG2 3.44Å; F14-V23 HydrophobicContact CG-CG2 4.38Å; F14-V23 HydrophobicContact CZ-CG2 4.03Å; V23-R32 PolarHBondContact O-N 2.91Å; V23-H33 HydrophobicContact CG1-CB 3.74Å; V23-H33 PolarHBondContact N-O 3.49Å; V23-H33 PolarHBondContact O-N 3Å; V23-L93 HydrophobicContact CB-CD2 4.43Å; V23-L93 HydrophobicContact CG1-CD2 3.83Å; V23-L98 HydrophobicContact CG1-CD2 4.28Å; V23-L98 HydrophobicContact CG1-CG 4.38Å; V23-L98 HydrophobicContact CG2-CD1 3.56Å; V23-L98 HydrophobicContact CG2-CD2 4.09Å; V23-L98 HydrophobicContact CG2-CG 3.96Å
24G95.1Very high92.2Very high0 Ų037.4 Ų37.40%021%0.214CC..EExtended strand (participates in β ladder)trans-175.4-167.3173.700000111.3I13I13-G24 PolarHBondContact N-O 3.21Å; I13-G24 PolarHBondContact O-N 3.42Å
25I94Very high92.1Very high31 Ų3138.1 Ų38.116%0.15922%0.217CC..EExtended strand (participates in β ladder)trans-110.8141.8-176.6-57.7176.2000109.7P10 G27 E28P10-I25 HydrophobicContact CB-CG2 3.4Å; P10-I25 VanDerWaalsContact CB-CG2 3.4Å; P10-I25 HydrophobicContact CG-CG2 4.47Å; I25-G27 PolarHBondContact O-N 3.1Å; I25-E28 HydrophobicContact CB-CG 4.41Å; I25-E28 PolarHBondContact N-OE2 3.35Å; I25-E28 WeakPolarHBondContact O-CB 3.35Å; I25-E28 WeakPolarHBondContact O-CG 3.26Å; I25-E28 PolarHBondContact O-N 3.13Å
26S93.1Very high91.8Very high16 Ų1638.8 Ų38.811%0.11222%0.223CC..THydrogen-bonded Turntrans-52.4134.5174.1-177.20000111.8A11 T348 S349A11-S26 WeakPolarHBondContact O-CB 3.43Å; A11-S26 PolarHBondContact O-N 3Å; S26-T348 VanDerWaalsContact CB-OG1 3.31Å; S26-T348 WeakPolarHBondContact CB-OG1 3.49Å; S26-T348 WeakPolarHBondContact OG-CB 3.33Å; S26-T348 PolarHBondContact OG-OG1 3.13Å; S26-S349 PolarHBondContact OG-OG 3.33Å
27G88.8Confident91.8Very high56 Ų5638 Ų3858%0.57722%0.218SC*.THydrogen-bonded Turntrans92.9-9-179.300000114.4I25 S345I25-G27 PolarHBondContact O-N 3.1Å; G27-S345 PolarHBondContact N-OG 3.35Å
28E90.7Very high91.8Very high67 Ų6737.4 Ų37.431%0.31321%0.212SC..  trans-76.6152.7170.2-62.4175.7158.500111I25 G30 W341 S345I25-E28 HydrophobicContact CB-CG 4.41Å; I25-E28 PolarHBondContact N-OE2 3.35Å; I25-E28 WeakPolarHBondContact O-CB 3.35Å; I25-E28 WeakPolarHBondContact O-CG 3.26Å; I25-E28 PolarHBondContact O-N 3.13Å; E28-G30 VanDerWaalsContact C-N 3.3Å; E28-G30 PolarHBondContact O-N 3.19Å; E28-W341 HydrophobicContact CB-CH2 4.09Å; E28-S345 PolarHBondContact O-OG 3.39Å
29L86.8Confident91.9Very high174 Ų17437 Ų3791%0.91121%0.209SC*.SBendtrans-72-21.3-177.6-68.6173.5000113.7
30G90.4Very high91.9Very high26 Ų2636.2 Ų36.227%0.26820%0.201SC..SBendtrans-163.2168.6-178.500000110.6E28 R32 W341E28-G30 VanDerWaalsContact C-N 3.3Å; E28-G30 PolarHBondContact O-N 3.19Å; G30-R32 PolarHBondContact O-N 3.26Å; G30-W341 VanDerWaalsContact C-CH2 3.45Å; G30-W341 VanDerWaalsContact O-CH2 3.25Å; G30-W341 WeakPolarHBondContact O-CH2 3.39Å; G30-W341 WeakPolarHBondContact O-CZ3 3.43Å
31P93.8Very high91.7Very high22 Ų2234.5 Ų34.514%0.14319%0.191CC..  trans-64.5136.4-178.927.3-33.8000110.4K22 V34 Y338 W341K22-P31 HydrophobicContact CB-CB 3.71Å; K22-P31 HydrophobicContact CB-CG 4.04Å; K22-P31 HydrophobicContact CG-CG 4.35Å; P31-V34 HydrophobicContact CB-CG2 4.33Å; P31-V34 HydrophobicContact CG-CG2 3.87Å; P31-Y338 HydrophobicContact CG-CD1 3.77Å; P31-Y338 HydrophobicContact CG-CE1 4.12Å; P31-Y338 HydrophobicContact CG-CG 4.01Å; P31-W341 HydrophobicContact CB-CD2 3.88Å; P31-W341 HydrophobicContact CB-CE3 4.33Å; P31-W341 HydrophobicContact CB-CG 4.16Å; P31-W341 HydrophobicContact CB-CZ2 4.48Å; P31-W341 HydrophobicContact CG-CD2 4.43Å
32R93Very high91.3Very high142 Ų14236.6 Ų36.654%0.53621%0.205SC..SBendtrans-71.1-36.3179.7-169-177.5170.1167-3.8112V23 G30V23-R32 PolarHBondContact O-N 2.91Å; G30-R32 PolarHBondContact O-N 3.26Å
33H93.2Very high90.5Very high45 Ų4539.2 Ų39.221%0.20822%0.216CC..EExtended strand (participates in β ladder)trans-133.1136178.2-58-102.1000110.2K22 V23 E97K22-H33 WeakPolarHBondContact CA-O 3.48Å; V23-H33 HydrophobicContact CG1-CB 3.74Å; V23-H33 PolarHBondContact N-O 3.49Å; V23-H33 PolarHBondContact O-N 3Å; H33-E97 HydrophobicContact CB-CB 4.38Å; H33-E97 IonicContact CE1-OE2 2.74Å; H33-E97 PolarHBondContact CE1-OE2 3.02Å; H33-E97 IonicContact CG-OE2 3.15Å; H33-E97 IonicContact ND1-OE2 2.77Å; H33-E97 PolarHBondContact ND1-OE2 3.36Å; H33-E97 PolarHBondContact NE2-O 2.66Å
34V92.8Very high89.3Confident46 Ų4647 Ų4728%0.27925%0.25SC..EExtended strand (participates in β ladder)trans-122.1111.8173.8178.40000106.5L20 K22 P31 Y338L20-V34 HydrophobicContact CB-CG1 4.25Å; L20-V34 HydrophobicContact CD1-CG1 4.07Å; L20-V34 HydrophobicContact CD2-CG1 4.4Å; L20-V34 HydrophobicContact CG-CG1 4.48Å; K22-V34 HydrophobicContact CB-CG2 4.34Å; K22-V34 HydrophobicContact CG-CB 4.39Å; K22-V34 HydrophobicContact CG-CG1 4.06Å; K22-V34 HydrophobicContact CG-CG2 3.86Å; P31-V34 HydrophobicContact CB-CG2 4.33Å; P31-V34 HydrophobicContact CG-CG2 3.87Å; V34-Y338 HydrophobicContact CG2-CE1 3.84Å
35I91.4Very high87.6Confident15 Ų1554.9 Ų54.98%0.07729%0.292CS..EExtended strand (participates in β ladder)trans-121.2151.4-176.363.6154.8000111L20 C21 V58 L89 L93L20-I35 CarbonylContact C-O 3.39Å; L20-I35 VanDerWaalsContact CA-O 3.3Å; L20-I35 WeakPolarHBondContact CA-O 3.43Å; C21-I35 HydrophobicContact CB-CG1 4.13Å; C21-I35 PolarHBondContact N-O 3.15Å; C21-I35 PolarHBondContact O-N 3.04Å; I35-V58 HydrophobicContact CD1-CG1 4.04Å; I35-L89 HydrophobicContact CD1-CD1 3.58Å; I35-L93 HydrophobicContact CD1-CD1 4.24Å; I35-L93 HydrophobicContact CD1-CD2 3.2Å; I35-L93 HydrophobicContact CD1-CG 3.86Å; I35-L93 HydrophobicContact CG1-CD2 3.72Å
36S90.3Very high85.8Confident18 Ų1859 Ų5913%0.12631%0.313CS..EExtended strand (participates in β ladder)trans-67.7133170.5-73.60000111.1G19 V38 G59 Q63G19-S36 WeakPolarHBondContact O-CA 3.31Å; S36-V38 PolarHBondContact O-N 3.34Å; S36-G59 WeakPolarHBondContact O-CA 3.31Å; S36-Q63 VanDerWaalsContact CB-NE2 3.25Å; S36-Q63 PolarHBondContact OG-NE2 3.36Å
37S91.5Very high83.7Confident0 Ų064 Ų640%035%0.345CS..SBendtrans-7565.7177-61.60000110.8G17 G19 C21 Y73 P74G17-S37 WeakPolarHBondContact O-CB 3.2Å; G17-S37 PolarHBondContact O-OG 3.28Å; G19-S37 PolarHBondContact O-N 3.17Å; C21-S37 PolarHBondContact N-OG 3.09Å; S37-Y73 WeakPolarHBondContact O-CD1 3.39Å; S37-P74 WeakPolarHBondContact O-CD 3.29Å
38V90.5Very high81.9Confident0 Ų065.8 Ų65.80%035%0.349CS..  trans-138.9140.2-177.6660000110.8S36 V58 G59 A62 Q63 L71 H72 Y73S36-V38 PolarHBondContact O-N 3.34Å; V38-V58 WeakPolarHBondContact O-CA 3.31Å; V38-G59 WeakPolarHBondContact CG1-O 3.3Å; V38-G59 PolarHBondContact O-N 2.97Å; V38-A62 HydrophobicContact CG1-CB 4.28Å; V38-Q63 HydrophobicContact CG1-CG 4.06Å; V38-L71 HydrophobicContact CG2-CB 3.99Å; V38-L71 HydrophobicContact CG2-CD2 4.16Å; V38-H72 WeakPolarHBondContact CA-O 3.47Å; V38-Y73 HydrophobicContact CB-CD1 4.15Å; V38-Y73 HydrophobicContact CB-CE1 3.91Å; V38-Y73 HydrophobicContact CG2-CD1 4.27Å; V38-Y73 HydrophobicContact CG2-CE1 3.94Å
39V91.3Very high79.8Confident0 Ų067.6 Ų67.60%038%0.375CS..EExtended strand (participates in β ladder)trans-122.8124176-1770000108.9Y56 F57 V58 H72 D85 K88 L89V39-Y56 HydrophobicContact CG1-CD2 4.32Å; V39-F57 CarbonylContact C-O 3.55Å; V39-F57 WeakPolarHBondContact CA-O 3.19Å; V39-V58 HydrophobicContact CG2-CG2 4.47Å; V39-H72 PolarHBondContact N-O 3.39Å; V39-H72 PolarHBondContact O-N 3.32Å; V39-D85 HydrophobicContact CB-CB 4.26Å; V39-D85 HydrophobicContact CG2-CB 4.17Å; V39-K88 HydrophobicContact CG1-CD 4.43Å; V39-L89 HydrophobicContact CG2-CB 4.28Å
40G89Confident78Confident0 Ų069.9 Ų69.90%037%0.372CS..EExtended strand (participates in β ladder)trans-99.9126.4178.700000112.2Y56 F57 Y70G40-Y56 VanDerWaalsContact O-CA 3.32Å; G40-Y56 WeakPolarHBondContact O-CA 3.16Å; G40-F57 PolarHBondContact N-O 3.11Å; G40-F57 PolarHBondContact O-N 3.03Å; G40-Y70 WeakPolarHBondContact CA-O 3.41Å
41H87.8Confident76Confident42 Ų4275.3 Ų75.319%0.19440%0.4CS..EExtended strand (participates in β ladder)trans-108.6132.2175.3-64.6-79.4000111.1K43 L69 Y70 H72 D85H41-K43 PolarHBondContact O-N 3.48Å; H41-L69 CarbonylContact O-C 3.58Å; H41-L69 VanDerWaalsContact O-CA 3.27Å; H41-L69 WeakPolarHBondContact O-CA 3.5Å; H41-Y70 PolarHBondContact N-O 3.35Å; H41-Y70 PolarHBondContact O-N 2.97Å; H41-H72 AromaticContact CD2-CE1 3.77Å; H41-H72 AromaticContact CD2-CG 3.93Å; H41-H72 AromaticContact CD2-ND1 3.43Å; H41-H72 PolarHBondContact CD2-ND1 3.06Å; H41-H72 AromaticContact NE2-ND1 3.68Å; H41-D85 IonicContact CE1-OD1 2.74Å; H41-D85 PolarHBondContact CE1-OD1 2.92Å; H41-D85 VanDerWaalsContact CE1-OD1 3.24Å; H41-D85 IonicContact NE2-OD1 3.41Å; H41-D85 PolarHBondContact NE2-OD1 3.42Å; H41-D85 IonicContact NE2-OD2 3.35Å; H41-D85 PolarHBondContact NE2-OD2 3.21Å
42P84.1Confident74Confident44 Ų4481.1 Ų81.129%0.28643%0.43SS..EExtended strand (participates in β ladder)trans-65.4131.1-177.126.9-33.9000112.6F44 I46 R55 L69P42-F44 VanDerWaalsContact C-N 3.29Å; P42-F44 PolarHBondContact O-N 3.17Å; P42-I46 HydrophobicContact CB-CD1 4.5Å; P42-R55 WeakPolarHBondContact CD-O 3.35Å; P42-R55 WeakPolarHBondContact CG-O 3.21Å; P42-L69 HydrophobicContact CB-CD2 4.04Å
43K77.3Confident72.3Confident79 Ų7984.1 Ų84.134%0.34344%0.441SS..SBendtrans-67.2-31179-64.1-179.9178.6150.40112.5H41 D67 G68 L69 Y70H41-K43 PolarHBondContact O-N 3.48Å; K43-D67 PolarHBondContact NZ-O 2.89Å; K43-G68 WeakPolarHBondContact CG-O 3.34Å; K43-G68 PolarHBondContact N-O 3.08Å; K43-L69 WeakPolarHBondContact CE-O 3.45Å; K43-Y70 HydrophobicContact CB-CD2 4.27Å; K43-Y70 HydrophobicContact CB-CE2 3.85Å; K43-Y70 HydrophobicContact CD-CE1 4.27Å; K43-Y70 HydrophobicContact CD-CE2 4.48Å; K43-Y70 HydrophobicContact CG-CD1 4.2Å; K43-Y70 HydrophobicContact CG-CD2 3.64Å; K43-Y70 HydrophobicContact CG-CE1 4.07Å; K43-Y70 HydrophobicContact CG-CE2 3.51Å; K43-Y70 HydrophobicContact CG-CG 3.99Å
44F70.4Confident70.7Confident163 Ų16385.2 Ų85.272%0.71545%0.445SS*.SBendtrans-123.6147.8179.1-59-77.8000109.5P42 I46P42-F44 VanDerWaalsContact C-N 3.29Å; P42-F44 PolarHBondContact O-N 3.17Å; F44-I46 VanDerWaalsContact C-N 3.27Å; F44-I46 PolarHBondContact O-N 2.99Å
45N59.4Low69.8Low167 Ų16793.7 Ų93.789%0.89347%0.472SS*.  trans-6590.8168.2-83.8-17.3000108.6P47N45-P47 VanDerWaalsContact O-CD 3.29Å; N45-P47 WeakPolarHBondContact O-CD 3.4Å
46I56.2Low69.5Low116 Ų11694.4 Ų94.460%0.59547%0.474SS*.  trans-66.4118.5171.5-58.8169.3000106.2P42 F44 S48P42-I46 HydrophobicContact CB-CD1 4.5Å; F44-I46 VanDerWaalsContact C-N 3.27Å; F44-I46 PolarHBondContact O-N 2.99Å; I46-S48 VanDerWaalsContact C-N 3.34Å; I46-S48 PolarHBondContact O-N 3.4Å
47P48.3Very low69.3Low121 Ų12196.1 Ų96.179%0.78648%0.479SS*.  trans-68.1100169.20.914.2000105.9N45 A49N45-P47 VanDerWaalsContact O-CD 3.29Å; N45-P47 WeakPolarHBondContact O-CD 3.4Å; P47-A49 PolarHBondContact O-N 3.25Å
48S52.5Low69.1Low95 Ų9596.5 Ų96.566%0.66448%0.482SS*.  trans-67.4105.8-174.351.20000110.1I46 R50I46-S48 VanDerWaalsContact C-N 3.34Å; I46-S48 PolarHBondContact O-N 3.4Å; S48-R50 PolarHBondContact O-N 3.04Å
49A45.8Very low68.9Low104 Ų10496.6 Ų96.686%0.8648%0.483SS*.  trans-77.516.616400000112.8P47P47-A49 PolarHBondContact O-N 3.25Å
50R48.8Very low68.4Low223 Ų223102.7 Ų102.784%0.84251%0.511SS*.SBendtrans-116.3116.5169.2-77.4-172.4175.4-175.7-0.3109S48 N52S48-R50 PolarHBondContact O-N 3.04Å; R50-N52 PolarHBondContact O-N 3.33Å
51T49Very low68Low139 Ų139107.7 Ų107.785%0.85354%0.535SS*.  trans-56.2115.3177.3-24.40000109.7
52N51.6Low67.6Low144 Ų144105.7 Ų105.777%0.7753%0.525SS*.SBendtrans70.2128.7166.1-81.9-20.9000120.6R50R50-N52 PolarHBondContact O-N 3.33Å
53R56.5Low67.2Low205 Ų205107 Ų10777%0.77453%0.528SS*.  trans78.978.9149.5-66.4176.5173.5-168.6-2.7119.3W96R53-W96 HydrophobicContact CB-CZ2 4.45Å
54K60.4Low67.1Low68 Ų68108.1 Ų108.130%0.29655%0.545SS..  162.3131129-89.2-177.4-163.2177.70108.4D92 W96K54-D92 WeakPolarHBondContact CE-OD1 3.49Å; K54-D92 IonicContact NZ-OD1 3.24Å; K54-D92 PolarHBondContact NZ-OD1 3.07Å; K54-D92 IonicContact NZ-OD2 2.81Å; K54-D92 PolarHBondContact NZ-OD2 3.48Å; K54-W96 VanDerWaalsContact NZ-CD2 3.34Å
55R74.8Confident67.1Low225 Ų225104.4 Ų104.485%0.84953%0.53SS*.SBendtrans-96.32.6176.9-71.7-173.6180173.70.6112.9P42P42-R55 WeakPolarHBondContact CD-O 3.35Å; P42-R55 WeakPolarHBondContact CG-O 3.21Å
56Y84.3Confident67.5Low30 Ų3098.7 Ų98.712%0.11850%0.496CS..SBendtrans-142.9157.8-176.260.9-90.9000108.3V39 G40 V58 K88V39-Y56 HydrophobicContact CG1-CD2 4.32Å; G40-Y56 VanDerWaalsContact O-CA 3.32Å; G40-Y56 WeakPolarHBondContact O-CA 3.16Å; Y56-V58 HydrophobicContact CD2-CG2 3.68Å; Y56-V58 HydrophobicContact CE2-CG2 3.7Å; Y56-K88 HydrophobicContact CD1-CD 3.71Å; Y56-K88 HydrophobicContact CD1-CG 4.24Å; Y56-K88 HydrophobicContact CD2-CB 4.13Å; Y56-K88 HydrophobicContact CD2-CD 4.17Å; Y56-K88 HydrophobicContact CE1-CB 4.33Å; Y56-K88 HydrophobicContact CE1-CD 3.95Å; Y56-K88 HydrophobicContact CE1-CG 3.94Å; Y56-K88 HydrophobicContact CE2-CB 3.74Å; Y56-K88 HydrophobicContact CE2-CD 4.41Å; Y56-K88 HydrophobicContact CE2-CG 4.25Å; Y56-K88 HydrophobicContact CG-CD 3.83Å
57F86.4Confident68.2Low53 Ų5398.6 Ų98.623%0.23250%0.497CS..EExtended strand (participates in β ladder)trans-118.8151176.1-59.4-82.8000109.1V39 G40 E61 A62 M65 L69V39-F57 CarbonylContact C-O 3.55Å; V39-F57 WeakPolarHBondContact CA-O 3.19Å; G40-F57 PolarHBondContact N-O 3.11Å; G40-F57 PolarHBondContact O-N 3.03Å; F57-E61 HydrophobicContact CB-CB 4.36Å; F57-E61 HydrophobicContact CD1-CB 4.47Å; F57-A62 HydrophobicContact CB-CB 4.01Å; F57-M65 HydrophobicContact CB-CE 4.44Å; F57-M65 HydrophobicContact CD1-CE 3.19Å; F57-M65 HydrophobicContact CD2-CE 4.13Å; F57-M65 HydrophobicContact CE1-CE 3.23Å; F57-M65 HydrophobicContact CE1-SD 4.26Å; F57-M65 HydrophobicContact CE2-CE 4.16Å; F57-M65 HydrophobicContact CG-CE 3.65Å; F57-M65 HydrophobicContact CZ-CE 3.73Å; F57-M65 HydrophobicContact CZ-SD 4.27Å; F57-L69 HydrophobicContact CB-CD1 4.03Å; F57-L69 HydrophobicContact CD2-CD1 3.52Å; F57-L69 HydrophobicContact CD2-CD2 3.6Å; F57-L69 HydrophobicContact CD2-CG 4.21Å; F57-L69 HydrophobicContact CE2-CD1 4.32Å; F57-L69 HydrophobicContact CE2-CD2 3.84Å; F57-L69 HydrophobicContact CG-CD1 4.05Å
58V87.8Confident69.5Low8 Ų894.4 Ų94.45%0.04848%0.476CS..EExtended strand (participates in β ladder)trans-129.5147-175.31790000109.4I35 V38 V39 Y56 E60 E61 L89 D92I35-V58 HydrophobicContact CD1-CG1 4.04Å; V38-V58 WeakPolarHBondContact O-CA 3.31Å; V39-V58 HydrophobicContact CG2-CG2 4.47Å; Y56-V58 HydrophobicContact CD2-CG2 3.68Å; Y56-V58 HydrophobicContact CE2-CG2 3.7Å; V58-E60 PolarHBondContact O-N 2.83Å; V58-E61 PolarHBondContact O-N 2.75Å; V58-L89 HydrophobicContact CG1-CD1 3.33Å; V58-D92 HydrophobicContact CB-CB 4.17Å; V58-D92 HydrophobicContact CG1-CB 4.18Å; V58-D92 HydrophobicContact CG2-CB 3.9Å
59G85.8Confident70.9Confident2 Ų290.2 Ų90.22%0.02145%0.446CS..THydrogen-bonded Turntrans65.6-134.3171.800000113.7S36 V38 E61 A62 Q63S36-G59 WeakPolarHBondContact O-CA 3.31Å; V38-G59 WeakPolarHBondContact CG1-O 3.3Å; V38-G59 PolarHBondContact O-N 2.97Å; G59-E61 VanDerWaalsContact C-N 3.31Å; G59-E61 PolarHBondContact O-N 2.81Å; G59-A62 WeakPolarHBondContact O-CB 3.33Å; G59-A62 PolarHBondContact O-N 3.45Å; G59-Q63 PolarHBondContact O-N 3.04Å
60E80.8Confident72.8Confident128 Ų12891.8 Ų91.860%0.59843%0.431SS*.Hα-helixtrans-63.4-36-177.3-63.9-174.5177.100112V58 A62 Q63 C64V58-E60 PolarHBondContact O-N 2.83Å; E60-A62 VanDerWaalsContact C-N 3.25Å; E60-A62 PolarHBondContact O-N 3Å; E60-Q63 PolarHBondContact O-N 3.42Å; E60-C64 PolarHBondContact O-N 3.25Å; E60-C64 PolarHBondContact O-SG 2.95Å; E60-C64 VanDerWaalsContact O-SG 3.33Å
61E79.5Confident74.6Confident105 Ų10583.7 Ų83.749%0.49140%0.404SS..Hα-helixtrans-58.9-39.8177.2-62.9-171161.700111.8F57 V58 G59 M65F57-E61 HydrophobicContact CB-CB 4.36Å; F57-E61 HydrophobicContact CD1-CB 4.47Å; V58-E61 PolarHBondContact O-N 2.75Å; G59-E61 VanDerWaalsContact C-N 3.31Å; G59-E61 PolarHBondContact O-N 2.81Å; E61-M65 HydrophobicContact CB-CE 4.35Å; E61-M65 WeakPolarHBondContact O-CE 3.49Å; E61-M65 PolarHBondContact O-N 3.25Å; E61-M65 VanDerWaalsContact O-N 3.14Å
62A80.8Confident76.5Confident0 Ų079.1 Ų79.10%037%0.373CS..Hα-helixtrans-67.8-38.6176.900000111.5V38 F57 G59 E60 Y66 L71V38-A62 HydrophobicContact CG1-CB 4.28Å; F57-A62 HydrophobicContact CB-CB 4.01Å; G59-A62 WeakPolarHBondContact O-CB 3.33Å; G59-A62 PolarHBondContact O-N 3.45Å; E60-A62 VanDerWaalsContact C-N 3.25Å; E60-A62 PolarHBondContact O-N 3Å; A62-Y66 PolarHBondContact O-N 3.02Å; A62-L71 HydrophobicContact CB-CD2 3.98Å; A62-L71 WeakPolarHBondContact O-CD2 3.45Å
63Q75.8Confident78.4Confident72 Ų7275.3 Ų75.334%0.33635%0.348SS..Hα-helixtrans-68.7-39177.5-67.6179.6-11.600112S36 V38 G59 E60S36-Q63 VanDerWaalsContact CB-NE2 3.25Å; S36-Q63 PolarHBondContact OG-NE2 3.36Å; V38-Q63 HydrophobicContact CG1-CG 4.06Å; G59-Q63 PolarHBondContact O-N 3.04Å; E60-Q63 PolarHBondContact O-N 3.42Å
64C73.7Confident80.1Confident103 Ų10365.5 Ų65.570%0.69631%0.311SS*.Hα-helixtrans-67-35.9177.3-680000112.5E60E60-C64 PolarHBondContact O-N 3.25Å; E60-C64 PolarHBondContact O-SG 2.95Å; E60-C64 VanDerWaalsContact O-SG 3.33Å
65M70.9Confident81.7Confident84 Ų8462.4 Ų62.441%0.41430%0.298SS..THydrogen-bonded Turntrans-98.231.6-178.4-70.5-174.8-72.300113.9F57 E61 D67 G68 L69F57-M65 HydrophobicContact CB-CE 4.44Å; F57-M65 HydrophobicContact CD1-CE 3.19Å; F57-M65 HydrophobicContact CD2-CE 4.13Å; F57-M65 HydrophobicContact CE1-CE 3.23Å; F57-M65 HydrophobicContact CE1-SD 4.26Å; F57-M65 HydrophobicContact CE2-CE 4.16Å; F57-M65 HydrophobicContact CG-CE 3.65Å; F57-M65 HydrophobicContact CZ-CE 3.73Å; F57-M65 HydrophobicContact CZ-SD 4.27Å; E61-M65 HydrophobicContact CB-CE 4.35Å; E61-M65 WeakPolarHBondContact O-CE 3.49Å; E61-M65 PolarHBondContact O-N 3.25Å; E61-M65 VanDerWaalsContact O-N 3.14Å; M65-D67 VanDerWaalsContact C-N 3.31Å; M65-D67 PolarHBondContact O-N 3.15Å; M65-G68 PolarHBondContact O-N 2.93Å; M65-L69 HydrophobicContact CB-CD1 3.74Å; M65-L69 HydrophobicContact CB-CG 4.35Å; M65-L69 WeakPolarHBondContact O-CD1 3.44Å; M65-L69 WeakPolarHBondContact O-CG 3.48Å
66Y68.9Low82.4Confident47 Ų4756.1 Ų56.118%0.18428%0.278CS..G310 helixtrans-59.7-32.6-17275.4-85.4000115A62 G68 L69 I207A62-Y66 PolarHBondContact O-N 3.02Å; Y66-G68 PolarHBondContact O-N 2.8Å; Y66-L69 PolarHBondContact O-N 3.48Å; Y66-L69 VanDerWaalsContact O-O 3.12Å; Y66-I207 HydrophobicContact CD2-CB 3.83Å; Y66-I207 HydrophobicContact CD2-CD1 3.99Å; Y66-I207 HydrophobicContact CD2-CG2 3.48Å; Y66-I207 VanDerWaalsContact CD2-CG2 3.48Å; Y66-I207 HydrophobicContact CE2-CB 3.65Å; Y66-I207 HydrophobicContact CE2-CD1 3.89Å; Y66-I207 HydrophobicContact CE2-CG1 4.37Å; Y66-I207 HydrophobicContact CE2-CG2 3.86Å; Y66-I207 HydrophobicContact CG-CG2 4.01Å
67D70.6Confident82.6Confident114 Ų11459.1 Ų59.161%0.6129%0.289SS*.G310 helixtrans-58.9-39-176.2-79.1-38.7000111.9K43 M65K43-D67 PolarHBondContact NZ-O 2.89Å; M65-D67 VanDerWaalsContact C-N 3.31Å; M65-D67 PolarHBondContact O-N 3.15Å
68G74.9Confident82.6Confident33 Ų3357 Ų5734%0.3428%0.282SS..G310 helixtrans-92.1-3.9-178.500000115.3K43 M65 Y66K43-G68 WeakPolarHBondContact CG-O 3.34Å; K43-G68 PolarHBondContact N-O 3.08Å; M65-G68 PolarHBondContact O-N 2.93Å; Y66-G68 PolarHBondContact O-N 2.8Å
69L82.9Confident82.8Confident8 Ų859.4 Ų59.44%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-123.2144.8-167.8-56.8177000112.9H41 P42 K43 F57 M65 Y66 L71H41-L69 CarbonylContact O-C 3.58Å; H41-L69 VanDerWaalsContact O-CA 3.27Å; H41-L69 WeakPolarHBondContact O-CA 3.5Å; P42-L69 HydrophobicContact CB-CD2 4.04Å; K43-L69 WeakPolarHBondContact CE-O 3.45Å; F57-L69 HydrophobicContact CB-CD1 4.03Å; F57-L69 HydrophobicContact CD2-CD1 3.52Å; F57-L69 HydrophobicContact CD2-CD2 3.6Å; F57-L69 HydrophobicContact CD2-CG 4.21Å; F57-L69 HydrophobicContact CE2-CD1 4.32Å; F57-L69 HydrophobicContact CE2-CD2 3.84Å; F57-L69 HydrophobicContact CG-CD1 4.05Å; M65-L69 HydrophobicContact CB-CD1 3.74Å; M65-L69 HydrophobicContact CB-CG 4.35Å; M65-L69 WeakPolarHBondContact O-CD1 3.44Å; M65-L69 WeakPolarHBondContact O-CG 3.48Å; Y66-L69 PolarHBondContact O-N 3.48Å; Y66-L69 VanDerWaalsContact O-O 3.12Å; L69-L71 HydrophobicContact CB-CD2 4.41Å
70Y83.8Confident83.2Confident136 Ų13660.5 Ų60.553%0.53330%0.3SS..EExtended strand (participates in β ladder)trans-86113.8160.8-68.9-63.8000108.5G40 H41 K43G40-Y70 WeakPolarHBondContact CA-O 3.41Å; H41-Y70 PolarHBondContact N-O 3.35Å; H41-Y70 PolarHBondContact O-N 2.97Å; K43-Y70 HydrophobicContact CB-CD2 4.27Å; K43-Y70 HydrophobicContact CB-CE2 3.85Å; K43-Y70 HydrophobicContact CD-CE1 4.27Å; K43-Y70 HydrophobicContact CD-CE2 4.48Å; K43-Y70 HydrophobicContact CG-CD1 4.2Å; K43-Y70 HydrophobicContact CG-CD2 3.64Å; K43-Y70 HydrophobicContact CG-CE1 4.07Å; K43-Y70 HydrophobicContact CG-CE2 3.51Å; K43-Y70 HydrophobicContact CG-CG 3.99Å
71L86.6Confident83.7Confident54 Ų5457.5 Ų57.528%0.28329%0.291SS..EExtended strand (participates in β ladder)trans-85.3123.5179.4-60.1-178.9000110.6V38 A62 L69V38-L71 HydrophobicContact CG2-CB 3.99Å; V38-L71 HydrophobicContact CG2-CD2 4.16Å; A62-L71 HydrophobicContact CB-CD2 3.98Å; A62-L71 WeakPolarHBondContact O-CD2 3.45Å; L69-L71 HydrophobicContact CB-CD2 4.41Å
72H89.9Confident84.3Confident43 Ų4357.9 Ų57.920%0.19929%0.288CS..EExtended strand (participates in β ladder)trans-116.1134.8177-68-175.3000110.3V38 V39 H41 R82 D85V38-H72 WeakPolarHBondContact CA-O 3.47Å; V39-H72 PolarHBondContact N-O 3.39Å; V39-H72 PolarHBondContact O-N 3.32Å; H41-H72 AromaticContact CD2-CE1 3.77Å; H41-H72 AromaticContact CD2-CG 3.93Å; H41-H72 AromaticContact CD2-ND1 3.43Å; H41-H72 PolarHBondContact CD2-ND1 3.06Å; H41-H72 AromaticContact NE2-ND1 3.68Å; H72-R82 PolarHBondContact CD2-NH1 3.3Å; H72-R82 PolarHBondContact CE1-NH1 3.5Å; H72-R82 PolarHBondContact ND1-NH1 3.43Å; H72-R82 VanDerWaalsContact ND1-NH1 3.14Å; H72-R82 PolarHBondContact NE2-NH1 3.5Å; H72-D85 WeakPolarHBondContact CB-OD2 3.42Å; H72-D85 IonicContact CG-OD2 2.79Å; H72-D85 IonicContact ND1-OD2 3.99Å; H72-D85 PolarHBondContact ND1-OD2 3.14Å
73Y90.8Very high84.9Confident63 Ų6359.6 Ų59.625%0.24730%0.295CS..  trans-101.8110172.9-63.8-86.4000108.5S37 V38 I75S37-Y73 WeakPolarHBondContact O-CD1 3.39Å; V38-Y73 HydrophobicContact CB-CD1 4.15Å; V38-Y73 HydrophobicContact CB-CE1 3.91Å; V38-Y73 HydrophobicContact CG2-CD1 4.27Å; V38-Y73 HydrophobicContact CG2-CE1 3.94Å; Y73-I75 PolarHBondContact O-N 3.31Å
74P92.7Very high85.8Confident0 Ų061.7 Ų61.70%031%0.308CS..SBendtrans-71.5-20.7-176.626.7-33000113.5S37 V80 T81 R82 D85 M86 L89S37-P74 WeakPolarHBondContact O-CD 3.29Å; P74-V80 WeakPolarHBondContact O-CA 3.27Å; P74-T81 PolarHBondContact O-N 2.82Å; P74-T81 PolarHBondContact O-OG1 3.24Å; P74-R82 PolarHBondContact O-N 3.45Å; P74-D85 HydrophobicContact CB-CB 4.13Å; P74-M86 HydrophobicContact CB-CB 4.16Å; P74-M86 HydrophobicContact CB-SD 3.99Å; P74-M86 HydrophobicContact CG-SD 4.09Å; P74-L89 HydrophobicContact CG-CD2 4.06Å
75I93.2Very high86.7Confident2 Ų257.2 Ų57.21%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-117.6119.9-180-49.8173000109N16 Y73 L79 V80 M86N16-I75 HydrophobicContact CB-CD1 4.13Å; Y73-I75 PolarHBondContact O-N 3.31Å; I75-L79 CarbonylContact C-O 3.59Å; I75-L79 WeakPolarHBondContact CA-O 3.06Å; I75-V80 HydrophobicContact CG1-CG2 4.44Å; I75-M86 HydrophobicContact CD1-CE 3.81Å; I75-M86 HydrophobicContact CD1-SD 3.95Å; I75-M86 HydrophobicContact CG1-CE 4.24Å; I75-M86 HydrophobicContact CG1-SD 3.72Å
76E90.7Very high87.8Confident94 Ų9453.3 Ų53.344%0.43926%0.258SS..EExtended strand (participates in β ladder)trans-121.7123.4176.7-65.3-177.9173.900109.3G78 L79 T81E76-G78 PolarHBondContact O-N 3.1Å; E76-G78 VanDerWaalsContact O-N 3.16Å; E76-L79 PolarHBondContact N-O 2.93Å; E76-L79 PolarHBondContact O-N 3.4Å; E76-T81 HydrophobicContact CB-CG2 3.97Å; E76-T81 HydrophobicContact CG-CG2 4.29Å
77R89.1Confident89Confident93 Ų9353.5 Ų53.535%0.35126%0.261SS..THydrogen-bonded Turntrans50.640.1179.9-56.9-170.1174.6-77.65.5113.7L79 G162 Y183 D188R77-L79 VanDerWaalsContact C-N 3.32Å; R77-L79 PolarHBondContact O-N 3.43Å; R77-G162 PolarHBondContact NH1-O 3.16Å; R77-Y183 HydrophobicContact CB-CD1 4.02Å; R77-Y183 HydrophobicContact CB-CE1 4.25Å; R77-Y183 HydrophobicContact CG-CD1 4.39Å; R77-Y183 PolarHBondContact NH1-O 3.28Å; R77-D188 IonicContact CZ-OD1 3.39Å; R77-D188 IonicContact NH1-OD1 2.85Å; R77-D188 PolarHBondContact NH1-OD1 3.39Å; R77-D188 IonicContact NH1-OD2 3.16Å; R77-D188 PolarHBondContact NH1-OD2 3.04Å; R77-D188 IonicContact NH2-OD1 2.74Å; R77-D188 PolarHBondContact NH2-OD1 3.31Å
78G85.8Confident90.1Very high8 Ų850.6 Ų50.68%0.08224%0.242CC..THydrogen-bonded Turntrans86.4-13-179.800000115.1S18 E76 P112S18-G78 WeakPolarHBondContact OG-CA 3.27Å; S18-G78 PolarHBondContact OG-N 3.23Å; E76-G78 PolarHBondContact O-N 3.1Å; E76-G78 VanDerWaalsContact O-N 3.16Å; G78-P112 WeakPolarHBondContact O-CG 3.4Å
79L91.6Very high91Very high59 Ų5949 Ų4931%0.30923%0.226SC..EExtended strand (participates in β ladder)trans-101.8139.3-176-60.4177.3000111.4I75 E76 R77 T81 P116I75-L79 CarbonylContact C-O 3.59Å; I75-L79 WeakPolarHBondContact CA-O 3.06Å; E76-L79 PolarHBondContact N-O 2.93Å; E76-L79 PolarHBondContact O-N 3.4Å; R77-L79 VanDerWaalsContact C-N 3.32Å; R77-L79 PolarHBondContact O-N 3.43Å; L79-T81 PolarHBondContact O-N 2.81Å; L79-P116 HydrophobicContact CD2-CG 4.29Å
80V93.3Very high91.5Very high24 Ų2448.7 Ų48.715%0.14523%0.225CC..EExtended strand (participates in β ladder)trans-75.8112.1173.5-176.80000108.9P74 I75 W83 M86 T119P74-V80 WeakPolarHBondContact O-CA 3.27Å; I75-V80 HydrophobicContact CG1-CG2 4.44Å; V80-W83 HydrophobicContact CB-CH2 4.11Å; V80-W83 HydrophobicContact CB-CZ2 4.05Å; V80-W83 HydrophobicContact CB-CZ3 4.42Å; V80-W83 HydrophobicContact CG1-CD2 3.82Å; V80-W83 HydrophobicContact CG1-CE3 3.86Å; V80-W83 HydrophobicContact CG1-CG 4.4Å; V80-W83 HydrophobicContact CG1-CH2 4.18Å; V80-W83 HydrophobicContact CG1-CZ2 4.12Å; V80-W83 HydrophobicContact CG1-CZ3 4.05Å; V80-W83 HydrophobicContact CG2-CH2 4.49Å; V80-M86 HydrophobicContact CG1-CB 3.96Å; V80-M86 HydrophobicContact CG1-CG 4.03Å; V80-M86 HydrophobicContact CG1-SD 4.48Å; V80-M86 HydrophobicContact CG2-CG 4.48Å; V80-M86 HydrophobicContact CG2-SD 4.4Å; V80-T119 HydrophobicContact CB-CG2 4.49Å
81T91.4Very high91.9Very high66 Ų6646.4 Ų46.441%0.40522%0.217SC..  trans-95.5-35.2178.457.50000111.6P74 E76 L79P74-T81 PolarHBondContact O-N 2.82Å; P74-T81 PolarHBondContact O-OG1 3.24Å; E76-T81 HydrophobicContact CB-CG2 3.97Å; E76-T81 HydrophobicContact CG-CG2 4.29Å; L79-T81 PolarHBondContact O-N 2.81Å
82R93.3Very high92.1Very high112 Ų11244 Ų4442%0.42321%0.205SC..  trans-121.496.1-175-70.1179.5148.1172.1-10112.1H72 P74 D85 M86H72-R82 PolarHBondContact CD2-NH1 3.3Å; H72-R82 PolarHBondContact CE1-NH1 3.5Å; H72-R82 PolarHBondContact ND1-NH1 3.43Å; H72-R82 VanDerWaalsContact ND1-NH1 3.14Å; H72-R82 PolarHBondContact NE2-NH1 3.5Å; P74-R82 PolarHBondContact O-N 3.45Å; R82-D85 HydrophobicContact CB-CB 4.27Å; R82-D85 PolarHBondContact O-N 2.95Å; R82-M86 PolarHBondContact O-N 3.47Å
83W93.8Very high92.2Very high37 Ų3742 Ų4214%0.1420%0.196CC..Hα-helixtrans-66.1-39.1-176.8-66.994000114.1V80 D85 M86 E87 W90 T119 K122 T123 I126V80-W83 HydrophobicContact CB-CH2 4.11Å; V80-W83 HydrophobicContact CB-CZ2 4.05Å; V80-W83 HydrophobicContact CB-CZ3 4.42Å; V80-W83 HydrophobicContact CG1-CD2 3.82Å; V80-W83 HydrophobicContact CG1-CE3 3.86Å; V80-W83 HydrophobicContact CG1-CG 4.4Å; V80-W83 HydrophobicContact CG1-CH2 4.18Å; V80-W83 HydrophobicContact CG1-CZ2 4.12Å; V80-W83 HydrophobicContact CG1-CZ3 4.05Å; V80-W83 HydrophobicContact CG2-CH2 4.49Å; W83-D85 PolarHBondContact O-N 3.35Å; W83-M86 PolarHBondContact O-N 2.91Å; W83-E87 PolarHBondContact O-N 3.26Å; W83-W90 HydrophobicContact CZ3-CH2 4.31Å; W83-T119 HydrophobicContact CH2-CG2 3.77Å; W83-T119 WeakPolarHBondContact CH2-O 3.46Å; W83-T119 HydrophobicContact CZ2-CG2 3.83Å; W83-K122 HydrophobicContact CD2-CD 3.64Å; W83-K122 VanDerWaalsContact CD2-CE 3.43Å; W83-K122 HydrophobicContact CD2-CG 3.95Å; W83-K122 VanDerWaalsContact CE2-CD 3.44Å; W83-K122 HydrophobicContact CE3-CD 4.17Å; W83-K122 HydrophobicContact CE3-CG 3.95Å; W83-K122 HydrophobicContact CG-CD 4.02Å; W83-K122 VanDerWaalsContact CG-NZ 3.25Å; W83-K122 HydrophobicContact CH2-CB 3.84Å; W83-K122 HydrophobicContact CH2-CD 4.27Å; W83-K122 HydrophobicContact CH2-CG 3.92Å; W83-K122 HydrophobicContact CZ2-CB 3.97Å; W83-K122 HydrophobicContact CZ2-CD 3.77Å; W83-K122 HydrophobicContact CZ2-CG 3.95Å; W83-K122 HydrophobicContact CZ3-CB 4.25Å; W83-K122 HydrophobicContact CZ3-CD 4.45Å; W83-K122 HydrophobicContact CZ3-CG 3.93Å; W83-T123 WeakPolarHBondContact CH2-OG1 3.32Å; W83-I126 HydrophobicContact CD2-CD1 4.32Å; W83-I126 HydrophobicContact CE3-CD1 3.4Å; W83-I126 VanDerWaalsContact CE3-CD1 3.4Å; W83-I126 HydrophobicContact CZ3-CD1 3.89Å
84D93.4Very high92.2Very high116 Ų11639 Ų3962%0.6218%0.184SC*.Hα-helixtrans-63.7-33.5179-62.7-25.7000112.1K88D84-K88 VanDerWaalsContact C-NZ 3.33Å; D84-K88 WeakPolarHBondContact O-CG 3.5Å; D84-K88 PolarHBondContact O-N 2.59Å; D84-K88 PolarHBondContact O-NZ 2.91Å
85D93.3Very high92Very high9 Ų943.8 Ų43.85%0.04821%0.206CC..Hα-helixtrans-82.3-34.1178.3-70.1-20.4000110.9V39 H41 H72 P74 R82 W83 E87 K88 L89V39-D85 HydrophobicContact CB-CB 4.26Å; V39-D85 HydrophobicContact CG2-CB 4.17Å; H41-D85 IonicContact CE1-OD1 2.74Å; H41-D85 PolarHBondContact CE1-OD1 2.92Å; H41-D85 VanDerWaalsContact CE1-OD1 3.24Å; H41-D85 IonicContact NE2-OD1 3.41Å; H41-D85 PolarHBondContact NE2-OD1 3.42Å; H41-D85 IonicContact NE2-OD2 3.35Å; H41-D85 PolarHBondContact NE2-OD2 3.21Å; H72-D85 WeakPolarHBondContact CB-OD2 3.42Å; H72-D85 IonicContact CG-OD2 2.79Å; H72-D85 IonicContact ND1-OD2 3.99Å; H72-D85 PolarHBondContact ND1-OD2 3.14Å; P74-D85 HydrophobicContact CB-CB 4.13Å; R82-D85 HydrophobicContact CB-CB 4.27Å; R82-D85 PolarHBondContact O-N 2.95Å; W83-D85 PolarHBondContact O-N 3.35Å; D85-E87 PolarHBondContact O-N 2.88Å; D85-K88 PolarHBondContact O-N 3.33Å; D85-K88 IonicContact OD1-NZ 3.08Å; D85-K88 PolarHBondContact OD1-NZ 3Å; D85-L89 WeakPolarHBondContact O-CB 3.01Å; D85-L89 PolarHBondContact O-N 3.32Å
86M94.6Very high91.7Very high1 Ų149.5 Ų49.51%0.00523%0.228CC..Hα-helixtrans-61.6-42.1172.1-162.169.5-163.100112.3N16 P74 I75 V80 R82 W83 K88 L89 W90N16-M86 HydrophobicContact CB-CE 4.39Å; N16-M86 WeakPolarHBondContact OD1-CE 3.48Å; P74-M86 HydrophobicContact CB-CB 4.16Å; P74-M86 HydrophobicContact CB-SD 3.99Å; P74-M86 HydrophobicContact CG-SD 4.09Å; I75-M86 HydrophobicContact CD1-CE 3.81Å; I75-M86 HydrophobicContact CD1-SD 3.95Å; I75-M86 HydrophobicContact CG1-CE 4.24Å; I75-M86 HydrophobicContact CG1-SD 3.72Å; V80-M86 HydrophobicContact CG1-CB 3.96Å; V80-M86 HydrophobicContact CG1-CG 4.03Å; V80-M86 HydrophobicContact CG1-SD 4.48Å; V80-M86 HydrophobicContact CG2-CG 4.48Å; V80-M86 HydrophobicContact CG2-SD 4.4Å; R82-M86 PolarHBondContact O-N 3.47Å; W83-M86 PolarHBondContact O-N 2.91Å; M86-K88 PolarHBondContact O-N 3.35Å; M86-L89 HydrophobicContact CE-CD2 4.12Å; M86-L89 WeakPolarHBondContact O-CB 3.04Å; M86-L89 PolarHBondContact O-N 3.49Å; M86-L89 HydrophobicContact SD-CD2 4.05Å; M86-W90 HydrophobicContact CE-CD2 4.24Å; M86-W90 HydrophobicContact CE-CH2 4.34Å; M86-W90 HydrophobicContact CE-CZ2 3.33Å; M86-W90 HydrophobicContact CG-CD2 4.05Å; M86-W90 HydrophobicContact CG-CE3 4.09Å; M86-W90 HydrophobicContact CG-CH2 3.53Å; M86-W90 HydrophobicContact CG-CZ2 3.47Å; M86-W90 VanDerWaalsContact CG-CZ2 3.47Å; M86-W90 HydrophobicContact CG-CZ3 3.86Å; M86-W90 PolarHBondContact O-N 2.94Å; M86-W90 HydrophobicContact SD-CZ2 4.26Å
87E94.1Very high91.5Very high51 Ų5148 Ų4824%0.23822%0.22CC..Hα-helixtrans-63.5-41.5176-178.2-177.6158.900112W83 D85 L89 W90 K91 K130 F131W83-E87 PolarHBondContact O-N 3.26Å; D85-E87 PolarHBondContact O-N 2.88Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 3.1Å; E87-W90 PolarHBondContact O-N 3.39Å; E87-K91 VanDerWaalsContact O-CB 3.28Å; E87-K91 WeakPolarHBondContact O-CB 3.38Å; E87-K91 PolarHBondContact O-N 2.92Å; E87-K130 VanDerWaalsContact CD-CD 3.42Å; E87-K130 VanDerWaalsContact CD-NZ 3.28Å; E87-K130 HydrophobicContact CG-CD 4.43Å; E87-K130 WeakPolarHBondContact OE1-CD 3.49Å; E87-K130 IonicContact OE1-NZ 3.29Å; E87-K130 PolarHBondContact OE1-NZ 3.03Å; E87-K130 WeakPolarHBondContact OE2-CD 3.33Å; E87-K130 IonicContact OE2-NZ 2.58Å; E87-K130 PolarHBondContact OE2-NZ 3.16Å; E87-F131 HydrophobicContact CG-CE2 4.23Å; E87-F131 HydrophobicContact CG-CZ 4.04Å
88K92.6Very high91.5Very high53 Ų5344.1 Ų44.123%0.2321%0.207CC..Hα-helixtrans-61.9-41.9174.5-71.6178.7-154.284.60111.4V39 Y56 D84 D85 M86 K91 D92V39-K88 HydrophobicContact CG1-CD 4.43Å; Y56-K88 HydrophobicContact CD1-CD 3.71Å; Y56-K88 HydrophobicContact CD1-CG 4.24Å; Y56-K88 HydrophobicContact CD2-CB 4.13Å; Y56-K88 HydrophobicContact CD2-CD 4.17Å; Y56-K88 HydrophobicContact CE1-CB 4.33Å; Y56-K88 HydrophobicContact CE1-CD 3.95Å; Y56-K88 HydrophobicContact CE1-CG 3.94Å; Y56-K88 HydrophobicContact CE2-CB 3.74Å; Y56-K88 HydrophobicContact CE2-CD 4.41Å; Y56-K88 HydrophobicContact CE2-CG 4.25Å; Y56-K88 HydrophobicContact CG-CD 3.83Å; D84-K88 VanDerWaalsContact C-NZ 3.33Å; D84-K88 WeakPolarHBondContact O-CG 3.5Å; D84-K88 PolarHBondContact O-N 2.59Å; D84-K88 PolarHBondContact O-NZ 2.91Å; D85-K88 PolarHBondContact O-N 3.33Å; D85-K88 IonicContact OD1-NZ 3.08Å; D85-K88 PolarHBondContact OD1-NZ 3Å; M86-K88 PolarHBondContact O-N 3.35Å; K88-K91 PolarHBondContact O-N 3.14Å; K88-D92 WeakPolarHBondContact O-CB 3.28Å; K88-D92 PolarHBondContact O-N 3.15Å
89L93.3Very high91.6Very high0 Ų046.6 Ų46.60%023%0.233CC..Hα-helixtrans-60.4-52.8176.4176.666.1000111.1I35 V39 V58 P74 D85 M86 E87 K91 D92 L93I35-L89 HydrophobicContact CD1-CD1 3.58Å; V39-L89 HydrophobicContact CG2-CB 4.28Å; V58-L89 HydrophobicContact CG1-CD1 3.33Å; P74-L89 HydrophobicContact CG-CD2 4.06Å; D85-L89 WeakPolarHBondContact O-CB 3.01Å; D85-L89 PolarHBondContact O-N 3.32Å; M86-L89 HydrophobicContact CE-CD2 4.12Å; M86-L89 WeakPolarHBondContact O-CB 3.04Å; M86-L89 PolarHBondContact O-N 3.49Å; M86-L89 HydrophobicContact SD-CD2 4.05Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 3.1Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.44Å; L89-D92 WeakPolarHBondContact O-CB 3.47Å; L89-D92 PolarHBondContact O-N 3.4Å; L89-D92 VanDerWaalsContact O-N 3.16Å; L89-L93 HydrophobicContact CG-CD1 4.36Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 3.46Å
90W94.4Very high91.5Very high2 Ų244.9 Ų44.91%0.00823%0.225CC..Hα-helixtrans-61.4-42178.1-69.8-38.6000112.6N16 W83 M86 E87 D92 L93 F94 M109 T123 I126 M127 F131N16-W90 PolarHBondContact OD1-NE1 3.04Å; N16-W90 VanDerWaalsContact OD1-NE1 3.15Å; W83-W90 HydrophobicContact CZ3-CH2 4.31Å; M86-W90 HydrophobicContact CE-CD2 4.24Å; M86-W90 HydrophobicContact CE-CH2 4.34Å; M86-W90 HydrophobicContact CE-CZ2 3.33Å; M86-W90 HydrophobicContact CG-CD2 4.05Å; M86-W90 HydrophobicContact CG-CE3 4.09Å; M86-W90 HydrophobicContact CG-CH2 3.53Å; M86-W90 HydrophobicContact CG-CZ2 3.47Å; M86-W90 VanDerWaalsContact CG-CZ2 3.47Å; M86-W90 HydrophobicContact CG-CZ3 3.86Å; M86-W90 PolarHBondContact O-N 2.94Å; M86-W90 HydrophobicContact SD-CZ2 4.26Å; E87-W90 PolarHBondContact O-N 3.39Å; W90-D92 VanDerWaalsContact C-N 3.27Å; W90-D92 PolarHBondContact O-N 3.43Å; W90-L93 PolarHBondContact O-N 2.92Å; W90-F94 WeakPolarHBondContact O-CD2 3.39Å; W90-F94 PolarHBondContact O-N 3.46Å; W90-M109 HydrophobicContact CD2-CE 4.48Å; W90-M109 HydrophobicContact CH2-CE 4.22Å; W90-M109 HydrophobicContact CZ2-CE 3.37Å; W90-T123 HydrophobicContact CH2-CG2 3.94Å; W90-T123 HydrophobicContact CZ2-CG2 4.31Å; W90-I126 HydrophobicContact CE3-CG2 4.14Å; W90-I126 HydrophobicContact CZ3-CB 4.42Å; W90-I126 HydrophobicContact CZ3-CD1 4.35Å; W90-I126 HydrophobicContact CZ3-CG2 3.88Å; W90-M127 HydrophobicContact CB-CE 4.41Å; W90-M127 HydrophobicContact CD2-CE 3.46Å; W90-M127 VanDerWaalsContact CD2-CE 3.46Å; W90-M127 HydrophobicContact CE3-CE 3.67Å; W90-M127 HydrophobicContact CG-CE 3.82Å; W90-M127 HydrophobicContact CH2-CE 4.36Å; W90-M127 HydrophobicContact CZ2-CE 4.18Å; W90-M127 HydrophobicContact CZ3-CE 4.11Å; W90-F131 HydrophobicContact CB-CE2 4.18Å; W90-F131 HydrophobicContact CB-CZ 3.84Å; W90-F131 HydrophobicContact CE3-CE2 4.06Å
91K92.7Very high91.4Very high87 Ų8749.9 Ų49.938%0.37824%0.244SC..Hα-helixtrans-59-42175.8-175.4177.3-177.8174.80111.6E87 K88 L89 E95 F131E87-K91 VanDerWaalsContact O-CB 3.28Å; E87-K91 WeakPolarHBondContact O-CB 3.38Å; E87-K91 PolarHBondContact O-N 2.92Å; K88-K91 PolarHBondContact O-N 3.14Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.44Å; K91-E95 VanDerWaalsContact CE-CD 3.44Å; K91-E95 WeakPolarHBondContact CE-OE1 3.45Å; K91-E95 WeakPolarHBondContact CE-OE2 3.4Å; K91-E95 HydrophobicContact CG-CG 4.36Å; K91-E95 IonicContact NZ-OE1 3.83Å; K91-E95 WeakPolarHBondContact O-CB 3.43Å; K91-E95 PolarHBondContact O-N 3.21Å; K91-F131 HydrophobicContact CB-CE1 4.03Å; K91-F131 HydrophobicContact CB-CZ 4.27Å
92D91.3Very high91.4Very high5 Ų547.8 Ų47.83%0.02723%0.232CC..Hα-helixtrans-60.1-48.8176.4-135.474.6000111.6K54 V58 K88 L89 W90 F94 E95 W96 E97K54-D92 WeakPolarHBondContact CE-OD1 3.49Å; K54-D92 IonicContact NZ-OD1 3.24Å; K54-D92 PolarHBondContact NZ-OD1 3.07Å; K54-D92 IonicContact NZ-OD2 2.81Å; K54-D92 PolarHBondContact NZ-OD2 3.48Å; V58-D92 HydrophobicContact CB-CB 4.17Å; V58-D92 HydrophobicContact CG1-CB 4.18Å; V58-D92 HydrophobicContact CG2-CB 3.9Å; K88-D92 WeakPolarHBondContact O-CB 3.28Å; K88-D92 PolarHBondContact O-N 3.15Å; L89-D92 WeakPolarHBondContact O-CB 3.47Å; L89-D92 PolarHBondContact O-N 3.4Å; L89-D92 VanDerWaalsContact O-N 3.16Å; W90-D92 VanDerWaalsContact C-N 3.27Å; W90-D92 PolarHBondContact O-N 3.43Å; D92-F94 PolarHBondContact O-N 3.3Å; D92-E95 PolarHBondContact O-N 2.94Å; D92-W96 WeakPolarHBondContact O-CA 3.39Å; D92-W96 WeakPolarHBondContact O-CB 3.28Å; D92-W96 PolarHBondContact O-N 2.9Å; D92-E97 PolarHBondContact O-N 2.88Å
93L91.5Very high91.2Very high0 Ų045.5 Ų45.50%023%0.233CC..Iπ-helixtrans-61.5-43.1-179.6-70.4174.5000113F14 V23 I35 L89 W90 E97 L98F14-L93 HydrophobicContact CD1-CD1 3.87Å; F14-L93 HydrophobicContact CE1-CB 3.71Å; F14-L93 HydrophobicContact CE1-CD1 3.77Å; F14-L93 HydrophobicContact CE1-CG 4.38Å; V23-L93 HydrophobicContact CB-CD2 4.43Å; V23-L93 HydrophobicContact CG1-CD2 3.83Å; I35-L93 HydrophobicContact CD1-CD1 4.24Å; I35-L93 HydrophobicContact CD1-CD2 3.2Å; I35-L93 HydrophobicContact CD1-CG 3.86Å; I35-L93 HydrophobicContact CG1-CD2 3.72Å; L89-L93 HydrophobicContact CG-CD1 4.36Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 3.46Å; W90-L93 PolarHBondContact O-N 2.92Å; L93-E97 HydrophobicContact CD2-CB 4.34Å; L93-E97 HydrophobicContact CD2-CG 3.88Å; L93-L98 WeakPolarHBondContact O-CB 3.41Å; L93-L98 WeakPolarHBondContact O-CG 3.19Å; L93-L98 PolarHBondContact O-N 3.04Å
94F91Very high91Very high0 Ų049 Ų490%025%0.251CS..Iπ-helixtrans-67.2-52.4177.2-81.5-67.1000112.2V12 F14 W90 D92 G99 V100 P102 V107 M127 F131V12-F94 HydrophobicContact CB-CE1 4.28Å; V12-F94 HydrophobicContact CG1-CE1 4.13Å; V12-F94 HydrophobicContact CG2-CE1 4.18Å; F14-F94 HydrophobicContact CD2-CZ 4.43Å; F14-F94 HydrophobicContact CE2-CD1 4.38Å; F14-F94 AromaticContact CE2-CE1 3.58Å; F14-F94 HydrophobicContact CE2-CE1 3.58Å; F14-F94 AromaticContact CE2-CE2 3.74Å; F14-F94 HydrophobicContact CE2-CE2 3.74Å; F14-F94 AromaticContact CE2-CZ 3.21Å; F14-F94 HydrophobicContact CE2-CZ 3.21Å; F14-F94 AromaticContact CZ-CD1 3.89Å; F14-F94 HydrophobicContact CZ-CD1 3.89Å; F14-F94 AromaticContact CZ-CD2 3.89Å; F14-F94 HydrophobicContact CZ-CD2 3.89Å; F14-F94 AromaticContact CZ-CE1 3.55Å; F14-F94 HydrophobicContact CZ-CE1 3.55Å; F14-F94 AromaticContact CZ-CE2 3.54Å; F14-F94 HydrophobicContact CZ-CE2 3.54Å; F14-F94 HydrophobicContact CZ-CG 4.05Å; F14-F94 AromaticContact CZ-CZ 3.37Å; F14-F94 HydrophobicContact CZ-CZ 3.37Å; W90-F94 WeakPolarHBondContact O-CD2 3.39Å; W90-F94 PolarHBondContact O-N 3.46Å; D92-F94 PolarHBondContact O-N 3.3Å; F94-G99 PolarHBondContact O-N 3.44Å; F94-G99 VanDerWaalsContact O-N 3.09Å; F94-V100 PolarHBondContact O-N 3.09Å; F94-V100 VanDerWaalsContact O-O 3.13Å; F94-P102 HydrophobicContact CB-CG 3.92Å; F94-P102 HydrophobicContact CD1-CB 4.14Å; F94-P102 HydrophobicContact CD1-CG 3.88Å; F94-P102 HydrophobicContact CD2-CB 4.33Å; F94-P102 HydrophobicContact CD2-CG 3.87Å; F94-P102 HydrophobicContact CE1-CB 4.04Å; F94-P102 HydrophobicContact CE1-CG 4.28Å; F94-P102 HydrophobicContact CE2-CB 4.25Å; F94-P102 HydrophobicContact CE2-CG 4.28Å; F94-P102 HydrophobicContact CG-CB 4.29Å; F94-P102 HydrophobicContact CG-CG 3.66Å; F94-P102 HydrophobicContact CZ-CB 4.09Å; F94-P102 HydrophobicContact CZ-CG 4.46Å; F94-V107 HydrophobicContact CE1-CG2 4.14Å; F94-V107 HydrophobicContact CZ-CG1 4.35Å; F94-V107 HydrophobicContact CZ-CG2 3.8Å; F94-M127 HydrophobicContact CE2-SD 4.45Å; F94-F131 HydrophobicContact CD2-CD1 4.21Å; F94-F131 HydrophobicContact CD2-CE1 4.26Å; F94-F131 HydrophobicContact CE2-CD1 4.34Å
95E88.6Confident90.9Very high100 Ų10045 Ų4547%0.46723%0.228SC..Iπ-helixtrans-80.1-38.1-169.5-68.3-179.4175.300113.3K91 D92K91-E95 VanDerWaalsContact CE-CD 3.44Å; K91-E95 WeakPolarHBondContact CE-OE1 3.45Å; K91-E95 WeakPolarHBondContact CE-OE2 3.4Å; K91-E95 HydrophobicContact CG-CG 4.36Å; K91-E95 IonicContact NZ-OE1 3.83Å; K91-E95 WeakPolarHBondContact O-CB 3.43Å; K91-E95 PolarHBondContact O-N 3.21Å; D92-E95 PolarHBondContact O-N 2.94Å
96W85.5Confident91Very high123 Ų12344.6 Ų44.647%0.46623%0.226SC..Iπ-helixtrans-105.9-45-167.9-62.285.4000113.3R53 K54 D92R53-W96 HydrophobicContact CB-CZ2 4.45Å; K54-W96 VanDerWaalsContact NZ-CD2 3.34Å; D92-W96 WeakPolarHBondContact O-CA 3.39Å; D92-W96 WeakPolarHBondContact O-CB 3.28Å; D92-W96 PolarHBondContact O-N 2.9Å
97E86.9Confident91Very high61 Ų6144.5 Ų44.529%0.28523%0.226SC..Iπ-helixtrans-77.3-56.5179.2-61.1-58.8142.300110.8H33 D92 L93H33-E97 HydrophobicContact CB-CB 4.38Å; H33-E97 IonicContact CE1-OE2 2.74Å; H33-E97 PolarHBondContact CE1-OE2 3.02Å; H33-E97 IonicContact CG-OE2 3.15Å; H33-E97 IonicContact ND1-OE2 2.77Å; H33-E97 PolarHBondContact ND1-OE2 3.36Å; H33-E97 PolarHBondContact NE2-O 2.66Å; D92-E97 PolarHBondContact O-N 2.88Å; L93-E97 HydrophobicContact CD2-CB 4.34Å; L93-E97 HydrophobicContact CD2-CG 3.88Å
98L89.1Confident91.1Very high12 Ų1242.1 Ų42.16%0.06322%0.215CC..Iπ-helixtrans-81.6-31.4-177.5-65.9176.9000113.7V12 V23 L93 V100V12-L98 HydrophobicContact CB-CD1 4.47Å; V12-L98 HydrophobicContact CG1-CD1 3.34Å; V12-L98 HydrophobicContact CG2-CD1 4.28Å; V23-L98 HydrophobicContact CG1-CD2 4.28Å; V23-L98 HydrophobicContact CG1-CG 4.38Å; V23-L98 HydrophobicContact CG2-CD1 3.56Å; V23-L98 HydrophobicContact CG2-CD2 4.09Å; V23-L98 HydrophobicContact CG2-CG 3.96Å; L93-L98 WeakPolarHBondContact O-CB 3.41Å; L93-L98 WeakPolarHBondContact O-CG 3.19Å; L93-L98 PolarHBondContact O-N 3.04Å; L98-V100 VanDerWaalsContact C-N 3.27Å; L98-V100 HydrophobicContact CB-CB 4.19Å; L98-V100 HydrophobicContact CB-CG2 4.03Å; L98-V100 PolarHBondContact O-N 3.28Å
99G88.9Confident91.3Very high61 Ų6139.6 Ų39.663%0.62920%0.204SC*.  trans65.830-172.600000113.3F94F94-G99 PolarHBondContact O-N 3.44Å; F94-G99 VanDerWaalsContact O-N 3.09Å
100V89.2Confident91.3Very high23 Ų2339.8 Ų39.814%0.13921%0.205CC..  trans-112.3140.2-175171.30000110.1V12 F94 L98 P102 Q105V12-V100 HydrophobicContact CG2-CG1 4.29Å; F94-V100 PolarHBondContact O-N 3.09Å; F94-V100 VanDerWaalsContact O-O 3.13Å; L98-V100 VanDerWaalsContact C-N 3.27Å; L98-V100 HydrophobicContact CB-CB 4.19Å; L98-V100 HydrophobicContact CB-CG2 4.03Å; L98-V100 PolarHBondContact O-N 3.28Å; V100-P102 WeakPolarHBondContact O-CD 3.35Å; V100-Q105 HydrophobicContact CG1-CB 4.33Å; V100-Q105 HydrophobicContact CG1-CG 3.84Å; V100-Q105 VanDerWaalsContact CG1-OE1 3.26Å
101K90.9Very high91.2Very high129 Ų12940.4 Ų40.456%0.56121%0.208SC*.  trans-78.2124.7170.3-70-178-167.4162.40110.6S103 E104K101-S103 PolarHBondContact O-N 2.81Å; K101-S103 VanDerWaalsContact O-N 3.14Å; K101-E104 HydrophobicContact CB-CG 4.31Å; K101-E104 WeakPolarHBondContact CD-OE1 3.44Å; K101-E104 IonicContact NZ-OE1 2.8Å; K101-E104 PolarHBondContact NZ-OE1 3.26Å; K101-E104 PolarHBondContact O-N 2.99Å; K101-E104 VanDerWaalsContact O-N 3.16Å
102P90.4Very high91.1Very high22 Ų2237 Ų3714%0.14320%0.195CC..G310 helixtrans-59.2-29.1-179.5-18.926.3000113.8F94 V100 E104 F131 V133F94-P102 HydrophobicContact CB-CG 3.92Å; F94-P102 HydrophobicContact CD1-CB 4.14Å; F94-P102 HydrophobicContact CD1-CG 3.88Å; F94-P102 HydrophobicContact CD2-CB 4.33Å; F94-P102 HydrophobicContact CD2-CG 3.87Å; F94-P102 HydrophobicContact CE1-CB 4.04Å; F94-P102 HydrophobicContact CE1-CG 4.28Å; F94-P102 HydrophobicContact CE2-CB 4.25Å; F94-P102 HydrophobicContact CE2-CG 4.28Å; F94-P102 HydrophobicContact CG-CB 4.29Å; F94-P102 HydrophobicContact CG-CG 3.66Å; F94-P102 HydrophobicContact CZ-CB 4.09Å; F94-P102 HydrophobicContact CZ-CG 4.46Å; V100-P102 WeakPolarHBondContact O-CD 3.35Å; P102-E104 PolarHBondContact O-N 2.92Å; P102-F131 HydrophobicContact CB-CB 3.91Å; P102-F131 HydrophobicContact CB-CD1 4.32Å; P102-F131 WeakPolarHBondContact CB-O 3.2Å; P102-F131 HydrophobicContact CG-CB 4.44Å; P102-F131 HydrophobicContact CG-CD1 3.95Å; P102-V133 HydrophobicContact CB-CG1 4.23Å
103S90.3Very high91Very high63 Ų6337 Ų3744%0.44120%0.195SC..G310 helixtrans-72.1-14.3-17860.10000115K101 N132K101-S103 PolarHBondContact O-N 2.81Å; K101-S103 VanDerWaalsContact O-N 3.14Å; S103-N132 WeakPolarHBondContact CA-O 3.31Å
104E89.4Confident90.9Very high110 Ų11041.4 Ų41.451%0.51422%0.218SC..G310 helixtrans-103.7-10.7-173.3-67.2175.8-172.900112.7K101 P102K101-E104 HydrophobicContact CB-CG 4.31Å; K101-E104 WeakPolarHBondContact CD-OE1 3.44Å; K101-E104 IonicContact NZ-OE1 2.8Å; K101-E104 PolarHBondContact NZ-OE1 3.26Å; K101-E104 PolarHBondContact O-N 2.99Å; K101-E104 VanDerWaalsContact O-N 3.16Å; P102-E104 PolarHBondContact O-N 2.92Å
105Q90.9Very high90.9Very high32 Ų3242.5 Ų42.515%0.1522%0.224CC..SBendtrans-130.9140.8-174.8-66-166.3-10.300112.8T9 V12 V100 P134T9-Q105 HydrophobicContact CG2-CG 4.02Å; V12-Q105 HydrophobicContact CG2-CB 4.02Å; V100-Q105 HydrophobicContact CG1-CB 4.33Å; V100-Q105 HydrophobicContact CG1-CG 3.84Å; V100-Q105 VanDerWaalsContact CG1-OE1 3.26Å; Q105-P134 VanDerWaalsContact C-CG 3.49Å; Q105-P134 WeakPolarHBondContact O-CD 2.99Å; Q105-P134 WeakPolarHBondContact O-CG 3.45Å
106P94.7Very high91.1Very high1 Ų140.5 Ų40.51%0.00622%0.219CC..  trans-67.1150.8171.227.4-29.5000110.6A11 V12 A135 W357A11-P106 CarbonylContact C-O 3.57Å; A11-P106 VanDerWaalsContact CA-O 3.23Å; A11-P106 WeakPolarHBondContact CA-O 3.29Å; A11-P106 HydrophobicContact CB-CB 4.36Å; A11-P106 HydrophobicContact CB-CG 3.92Å; A11-P106 WeakPolarHBondContact CB-O 3.32Å; V12-P106 PolarHBondContact N-O 2.98Å; P106-A135 HydrophobicContact CB-CB 4.1Å; P106-W357 HydrophobicContact CB-CE3 4.43Å; P106-W357 HydrophobicContact CB-CH2 4Å; P106-W357 HydrophobicContact CB-CZ2 4.13Å; P106-W357 HydrophobicContact CB-CZ3 4.16Å
107V96Very high91.4Very high0 Ų042.9 Ų42.90%023%0.228CC..EExtended strand (participates in β ladder)trans-123.5117.5-172.3-1790000110.9V12 F14 F94 M109 V133 A135 L136 Y137 W357V12-V107 CarbonylContact O-C 3.46Å; V12-V107 WeakPolarHBondContact O-CA 3.45Å; F14-V107 HydrophobicContact CD2-CG1 3.59Å; F14-V107 HydrophobicContact CE2-CG1 3.71Å; F94-V107 HydrophobicContact CE1-CG2 4.14Å; F94-V107 HydrophobicContact CZ-CG1 4.35Å; F94-V107 HydrophobicContact CZ-CG2 3.8Å; V107-M109 HydrophobicContact CG1-CG 3.76Å; V107-M109 HydrophobicContact CG1-SD 4.32Å; V107-V133 HydrophobicContact CB-CG1 4.47Å; V107-V133 HydrophobicContact CG2-CB 4.08Å; V107-V133 HydrophobicContact CG2-CG1 3.64Å; V107-A135 PolarHBondContact N-O 3.48Å; V107-L136 HydrophobicContact CB-CD1 4.3Å; V107-L136 HydrophobicContact CG1-CD1 4.26Å; V107-L136 CarbonylContact O-C 3.48Å; V107-L136 VanDerWaalsContact O-CA 3.29Å; V107-L136 WeakPolarHBondContact O-CA 3.34Å; V107-L136 WeakPolarHBondContact O-CD1 3.45Å; V107-Y137 PolarHBondContact O-N 2.63Å; V107-W357 WeakPolarHBondContact O-CZ3 3.36Å
108F95.9Very high91.7Very high0 Ų047.5 Ų47.50%025%0.25CC..EExtended strand (participates in β ladder)trans-97.7129.9170.1-175.7-81.4000109V12 I13 F14 T110 Y137 C139 G344 M347 T348 F353 W357V12-F108 PolarHBondContact O-N 2.81Å; I13-F108 CarbonylContact C-O 3.52Å; I13-F108 WeakPolarHBondContact CA-O 3.43Å; I13-F108 HydrophobicContact CG1-CB 4.21Å; I13-F108 HydrophobicContact CG2-CD1 3.93Å; F14-F108 PolarHBondContact N-O 2.85Å; F108-T110 HydrophobicContact CE1-CG2 4.07Å; F108-Y137 AromaticContact CD2-CD1 3.73Å; F108-Y137 HydrophobicContact CD2-CD1 3.73Å; F108-Y137 HydrophobicContact CD2-CG 4.38Å; F108-Y137 AromaticContact CE2-CD1 3.5Å; F108-Y137 HydrophobicContact CE2-CD1 3.5Å; F108-Y137 VanDerWaalsContact CE2-CD1 3.5Å; F108-Y137 AromaticContact CE2-CE1 3.97Å; F108-Y137 HydrophobicContact CE2-CE1 3.97Å; F108-Y137 HydrophobicContact CE2-CG 4.5Å; F108-Y137 HydrophobicContact CZ-CD1 4.35Å; F108-C139 HydrophobicContact CE1-CB 3.63Å; F108-C139 HydrophobicContact CE2-CB 3.79Å; F108-C139 HydrophobicContact CZ-CB 3.14Å; F108-G344 VanDerWaalsContact CE1-CA 3.5Å; F108-M347 HydrophobicContact CZ-SD 4.33Å; F108-T348 HydrophobicContact CB-CG2 3.78Å; F108-T348 HydrophobicContact CD2-CG2 3.36Å; F108-T348 HydrophobicContact CE2-CG2 4.07Å; F108-T348 HydrophobicContact CG-CG2 3.78Å; F108-F353 HydrophobicContact CD2-CE1 4.17Å; F108-F353 AromaticContact CD2-CZ 3.81Å; F108-F353 HydrophobicContact CD2-CZ 3.81Å; F108-F353 HydrophobicContact CE2-CE1 4.47Å; F108-F353 HydrophobicContact CE2-CE2 4.35Å; F108-F353 AromaticContact CE2-CZ 3.74Å; F108-F353 HydrophobicContact CE2-CZ 3.74Å; F108-W357 HydrophobicContact CB-CH2 4.06Å; F108-W357 HydrophobicContact CB-CZ3 4.45Å
109M95.5Very high91.9Very high1 Ų147.9 Ų47.91%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-127.3143.3177.7-53.9179.969.300110.3F14 N16 W90 V107 T123 M127 L136 Y137 L138 C139F14-M109 HydrophobicContact CB-CG 4.24Å; F14-M109 HydrophobicContact CD2-CG 4.32Å; F14-M109 CarbonylContact O-C 3.58Å; F14-M109 WeakPolarHBondContact O-CA 3.26Å; N16-M109 VanDerWaalsContact ND2-CE 3.28Å; N16-M109 WeakPolarHBondContact ND2-CE 3.39Å; W90-M109 HydrophobicContact CD2-CE 4.48Å; W90-M109 HydrophobicContact CH2-CE 4.22Å; W90-M109 HydrophobicContact CZ2-CE 3.37Å; V107-M109 HydrophobicContact CG1-CG 3.76Å; V107-M109 HydrophobicContact CG1-SD 4.32Å; M109-T123 HydrophobicContact CE-CG2 3.93Å; M109-T123 HydrophobicContact SD-CG2 3.93Å; M109-M127 HydrophobicContact CE-CE 3.41Å; M109-M127 VanDerWaalsContact CE-CE 3.41Å; M109-M127 HydrophobicContact SD-CE 3.39Å; M109-M127 WeakPolarHBondContact SD-CE 3.47Å; M109-M127 HydrophobicContact SD-CG 3.88Å; M109-M127 HydrophobicContact SD-SD 4.23Å; M109-L136 HydrophobicContact CG-CD1 3.95Å; M109-L136 HydrophobicContact SD-CD1 3.74Å; M109-Y137 PolarHBondContact N-O 3.47Å; M109-L138 HydrophobicContact CB-CD2 3.78Å; M109-L138 HydrophobicContact CG-CD2 4.39Å; M109-L138 CarbonylContact O-C 3.46Å; M109-L138 WeakPolarHBondContact O-CA 3.38Å; M109-L138 HydrophobicContact SD-CD2 4.25Å; M109-C139 PolarHBondContact O-N 3.01Å
110T93.8Very high92.1Very high4 Ų445.9 Ų45.93%0.02523%0.226CC..EExtended strand (participates in β ladder)trans-92.2151.6170.470.60000111.8F14 D15 N16 F108 C139 H141F14-T110 PolarHBondContact O-N 3.25Å; D15-T110 WeakPolarHBondContact CA-OG1 3.29Å; D15-T110 HydrophobicContact CB-CG2 4.36Å; D15-T110 PolarHBondContact OD1-OG1 2.97Å; N16-T110 PolarHBondContact N-OG1 2.89Å; N16-T110 VanDerWaalsContact N-OG1 3.11Å; N16-T110 PolarHBondContact ND2-O 3.49Å; F108-T110 HydrophobicContact CE1-CG2 4.07Å; T110-C139 CarbonylContact C-O 3.12Å; T110-C139 WeakPolarHBondContact CA-O 3.48Å; T110-H141 WeakPolarHBondContact CB-CD2 3.36Å; T110-H141 PolarHBondContact OG1-CD2 3.46Å; T110-H141 PolarHBondContact OG1-NE2 3.41Å
111E92.6Very high92.4Very high15 Ų1547.4 Ų47.47%0.0723%0.232CC..EExtended strand (participates in β ladder)trans-139.5155.317770.2178.2166.400111.8N115 R120 C139 N140 H141E111-N115 PolarHBondContact OE2-ND2 3.02Å; E111-R120 VanDerWaalsContact CD-NE 3.34Å; E111-R120 IonicContact OE1-CZ 2.74Å; E111-R120 IonicContact OE1-NE 3.66Å; E111-R120 PolarHBondContact OE1-NE 2.82Å; E111-R120 IonicContact OE1-NH2 2.93Å; E111-R120 PolarHBondContact OE1-NH2 2.92Å; E111-R120 VanDerWaalsContact OE2-CG 3.29Å; E111-R120 WeakPolarHBondContact OE2-CG 3.47Å; E111-R120 IonicContact OE2-NE 3.03Å; E111-R120 PolarHBondContact OE2-NE 2.87Å; E111-R120 VanDerWaalsContact OE2-NE 3.08Å; E111-C139 PolarHBondContact N-O 2.73Å; E111-N140 WeakPolarHBondContact O-CA 3.04Å; E111-H141 PolarHBondContact O-N 2.78Å
112P91.4Very high92.6Very high16 Ų1645.2 Ų45.210%0.10422%0.222CC..  trans-67.5153.4174.232.5-40.5000111.5G78 N115G78-P112 WeakPolarHBondContact O-CG 3.4Å; P112-N115 HydrophobicContact CG-CB 4.22Å; P112-N115 WeakPolarHBondContact O-CB 3.27Å; P112-N115 PolarHBondContact O-N 2.97Å
113S88.9Confident92.8Very high4 Ų444.6 Ų44.63%0.02822%0.218CC..THydrogen-bonded Turntrans-62.6148.3172.7-36.70000111.2N115 N140 V167 K181S113-N115 VanDerWaalsContact C-N 3.28Å; S113-N115 PolarHBondContact O-N 3.23Å; S113-N140 PolarHBondContact OG-ND2 3.49Å; S113-N140 PolarHBondContact OG-OD1 2.97Å; S113-V167 VanDerWaalsContact OG-CG2 3.27Å; S113-V167 WeakPolarHBondContact OG-CG2 3.44Å; S113-K181 WeakPolarHBondContact O-CE 3.42Å; S113-K181 PolarHBondContact O-NZ 3.02Å
114L88.9Confident93Very high93 Ų9341.6 Ų41.649%0.48720%0.197SC..THydrogen-bonded Turntrans53.242.5-176-51.6174.5000113I179L114-I179 HydrophobicContact CD1-CB 4.07Å; L114-I179 HydrophobicContact CD1-CG2 3.93Å; L114-I179 HydrophobicContact CD2-CD1 4.16Å; L114-I179 HydrophobicContact CG-CB 4.4Å; L114-I179 HydrophobicContact CG-CD1 4.1Å; L114-I179 HydrophobicContact CG-CG2 4.23Å
115N91.4Very high93.3Very high22 Ų2240.5 Ų40.512%0.11819%0.192CC..  trans-67.4134.9173.4-164.218.4000110.2E111 P112 S113 R117 R120E111-N115 PolarHBondContact OE2-ND2 3.02Å; P112-N115 HydrophobicContact CG-CB 4.22Å; P112-N115 WeakPolarHBondContact O-CB 3.27Å; P112-N115 PolarHBondContact O-N 2.97Å; S113-N115 VanDerWaalsContact C-N 3.28Å; S113-N115 PolarHBondContact O-N 3.23Å; N115-R117 PolarHBondContact O-N 3.47Å; N115-R120 HydrophobicContact CB-CG 4.17Å
116P92.3Very high93.5Very high58 Ų5839.5 Ų39.538%0.37719%0.188SC..  trans-56.9139.7175.7-26.936000112.1L79 E118 T119 R120L79-P116 HydrophobicContact CD2-CG 4.29Å; P116-E118 VanDerWaalsContact C-N 3.26Å; P116-E118 PolarHBondContact O-N 3.44Å; P116-T119 WeakPolarHBondContact O-CB 3.32Å; P116-T119 PolarHBondContact O-N 3.02Å; P116-R120 PolarHBondContact O-N 3.39Å
117R92.4Very high93.6Very high173 Ų17339.4 Ų39.465%0.65319%0.187SC*.Hα-helixtrans-57.7-40.5-176.6-66.4-176.6-179.4176.50.1112.4N115 T119 R120 E121 Q372N115-R117 PolarHBondContact O-N 3.47Å; R117-T119 VanDerWaalsContact C-N 3.29Å; R117-T119 PolarHBondContact O-N 2.95Å; R117-R120 PolarHBondContact O-N 3.21Å; R117-R120 VanDerWaalsContact O-N 3.15Å; R117-E121 WeakPolarHBondContact O-CG 3.42Å; R117-E121 PolarHBondContact O-N 2.8Å; R117-Q372 PolarHBondContact O-NE2 3.49Å
118E92.7Very high93.5Very high158 Ų15840 Ų4074%0.73819%0.19SC*.Hα-helixtrans-57.8-40.6176.8-62.1175.7-172.100112.1P116 E121 K122P116-E118 VanDerWaalsContact C-N 3.26Å; P116-E118 PolarHBondContact O-N 3.44Å; E118-E121 PolarHBondContact O-N 3.38Å; E118-K122 VanDerWaalsContact O-CB 3.26Å; E118-K122 WeakPolarHBondContact O-CB 3.44Å; E118-K122 PolarHBondContact O-N 3.16Å
119T92.8Very high93.5Very high20 Ų2045.2 Ų45.212%0.12321%0.214CC..Hα-helixtrans-65.7-42177.1-55.40000111.4V80 W83 P116 R117 T123V80-T119 HydrophobicContact CB-CG2 4.49Å; W83-T119 HydrophobicContact CH2-CG2 3.77Å; W83-T119 WeakPolarHBondContact CH2-O 3.46Å; W83-T119 HydrophobicContact CZ2-CG2 3.83Å; P116-T119 WeakPolarHBondContact O-CB 3.32Å; P116-T119 PolarHBondContact O-N 3.02Å; R117-T119 VanDerWaalsContact C-N 3.29Å; R117-T119 PolarHBondContact O-N 2.95Å; T119-T123 WeakPolarHBondContact O-CB 3.35Å; T119-T123 PolarHBondContact O-N 2.98Å; T119-T123 PolarHBondContact O-OG1 3.46Å
120R93.9Very high93.4Very high19 Ų1950.5 Ų50.57%0.07224%0.237CC..Hα-helixtrans-64.5-45177.9-54.1-175.476.7-162.110.6111.2E111 N115 P116 R117 T123 T124 L138 V371 C375E111-R120 VanDerWaalsContact CD-NE 3.34Å; E111-R120 IonicContact OE1-CZ 2.74Å; E111-R120 IonicContact OE1-NE 3.66Å; E111-R120 PolarHBondContact OE1-NE 2.82Å; E111-R120 IonicContact OE1-NH2 2.93Å; E111-R120 PolarHBondContact OE1-NH2 2.92Å; E111-R120 VanDerWaalsContact OE2-CG 3.29Å; E111-R120 WeakPolarHBondContact OE2-CG 3.47Å; E111-R120 IonicContact OE2-NE 3.03Å; E111-R120 PolarHBondContact OE2-NE 2.87Å; E111-R120 VanDerWaalsContact OE2-NE 3.08Å; N115-R120 HydrophobicContact CB-CG 4.17Å; P116-R120 PolarHBondContact O-N 3.39Å; R117-R120 PolarHBondContact O-N 3.21Å; R117-R120 VanDerWaalsContact O-N 3.15Å; R120-T123 PolarHBondContact O-N 3.3Å; R120-T124 WeakPolarHBondContact O-CB 3.45Å; R120-T124 PolarHBondContact O-N 3.15Å; R120-T124 PolarHBondContact O-OG1 2.9Å; R120-L138 HydrophobicContact CB-CD1 3.99Å; R120-L138 HydrophobicContact CG-CD1 4.45Å; R120-V371 HydrophobicContact CB-CG1 4.05Å; R120-C375 PolarHBondContact NH1-O 3.15Å; R120-C375 VanDerWaalsContact NH2-CB 3.29Å; R120-C375 PolarHBondContact NH2-O 3.15Å
121E94.6Very high93.5Very high55 Ų5551.4 Ų51.426%0.25724%0.241SC..Hα-helixtrans-63.4-46.8178.7-73.5173-169.900111.2R117 E118 T123 T124 E125 A368R117-E121 WeakPolarHBondContact O-CG 3.42Å; R117-E121 PolarHBondContact O-N 2.8Å; E118-E121 PolarHBondContact O-N 3.38Å; E121-T123 VanDerWaalsContact C-N 3.35Å; E121-T123 PolarHBondContact O-N 2.85Å; E121-T124 WeakPolarHBondContact O-CA 3.47Å; E121-T124 VanDerWaalsContact O-CB 3.31Å; E121-T124 WeakPolarHBondContact O-CB 3.36Å; E121-T124 PolarHBondContact O-N 3.24Å; E121-T124 VanDerWaalsContact O-N 3.11Å; E121-E125 PolarHBondContact O-N 2.88Å; E121-A368 HydrophobicContact CB-CB 3.77Å; E121-A368 HydrophobicContact CG-CB 4.05Å
122K94.9Very high93.6Very high83 Ų8355.7 Ų55.736%0.36126%0.264SS..Hα-helixtrans-65-36177.7-172.9162.2179.2-176.10113.5W83 E118 T124 E125 I126W83-K122 HydrophobicContact CD2-CD 3.64Å; W83-K122 VanDerWaalsContact CD2-CE 3.43Å; W83-K122 HydrophobicContact CD2-CG 3.95Å; W83-K122 VanDerWaalsContact CE2-CD 3.44Å; W83-K122 HydrophobicContact CE3-CD 4.17Å; W83-K122 HydrophobicContact CE3-CG 3.95Å; W83-K122 HydrophobicContact CG-CD 4.02Å; W83-K122 VanDerWaalsContact CG-NZ 3.25Å; W83-K122 HydrophobicContact CH2-CB 3.84Å; W83-K122 HydrophobicContact CH2-CD 4.27Å; W83-K122 HydrophobicContact CH2-CG 3.92Å; W83-K122 HydrophobicContact CZ2-CB 3.97Å; W83-K122 HydrophobicContact CZ2-CD 3.77Å; W83-K122 HydrophobicContact CZ2-CG 3.95Å; W83-K122 HydrophobicContact CZ3-CB 4.25Å; W83-K122 HydrophobicContact CZ3-CD 4.45Å; W83-K122 HydrophobicContact CZ3-CG 3.93Å; E118-K122 VanDerWaalsContact O-CB 3.26Å; E118-K122 WeakPolarHBondContact O-CB 3.44Å; E118-K122 PolarHBondContact O-N 3.16Å; K122-T124 VanDerWaalsContact C-N 3.3Å; K122-E125 PolarHBondContact O-N 2.87Å; K122-I126 HydrophobicContact CG-CD1 4.16Å; K122-I126 VanDerWaalsContact O-CG1 3.31Å; K122-I126 WeakPolarHBondContact O-CG1 3.49Å; K122-I126 PolarHBondContact O-N 2.82Å
123T94.8Very high93.7Very high10 Ų1055 Ų556%0.06126%0.26CS..Hα-helixtrans-62.3-42.8172.6-56.90000110.6W83 W90 M109 T119 R120 E121 I126 M127 L138W83-T123 WeakPolarHBondContact CH2-OG1 3.32Å; W90-T123 HydrophobicContact CH2-CG2 3.94Å; W90-T123 HydrophobicContact CZ2-CG2 4.31Å; M109-T123 HydrophobicContact CE-CG2 3.93Å; M109-T123 HydrophobicContact SD-CG2 3.93Å; T119-T123 WeakPolarHBondContact O-CB 3.35Å; T119-T123 PolarHBondContact O-N 2.98Å; T119-T123 PolarHBondContact O-OG1 3.46Å; R120-T123 PolarHBondContact O-N 3.3Å; E121-T123 VanDerWaalsContact C-N 3.35Å; E121-T123 PolarHBondContact O-N 2.85Å; T123-I126 PolarHBondContact O-N 3.42Å; T123-M127 WeakPolarHBondContact O-CG 3.38Å; T123-M127 PolarHBondContact O-N 3.12Å; T123-L138 HydrophobicContact CG2-CD2 4.31Å
124T95Very high94Very high0 Ų055.4 Ų55.40%026%0.262CS..Hα-helixtrans-63.9-46.3178-57.90000111.6R120 E121 K122 M127 F128 L136 F363R120-T124 WeakPolarHBondContact O-CB 3.45Å; R120-T124 PolarHBondContact O-N 3.15Å; R120-T124 PolarHBondContact O-OG1 2.9Å; E121-T124 WeakPolarHBondContact O-CA 3.47Å; E121-T124 VanDerWaalsContact O-CB 3.31Å; E121-T124 WeakPolarHBondContact O-CB 3.36Å; E121-T124 PolarHBondContact O-N 3.24Å; E121-T124 VanDerWaalsContact O-N 3.11Å; K122-T124 VanDerWaalsContact C-N 3.3Å; T124-M127 PolarHBondContact O-N 3.32Å; T124-F128 HydrophobicContact CG2-CD2 3.61Å; T124-F128 HydrophobicContact CG2-CE2 3.69Å; T124-F128 WeakPolarHBondContact O-CD2 3.23Å; T124-F128 PolarHBondContact O-N 3.39Å; T124-L136 HydrophobicContact CG2-CD2 4.08Å; T124-F363 HydrophobicContact CG2-CD2 3.79Å; T124-F363 HydrophobicContact CG2-CE2 3.97Å
125E95.3Very high94.3Very high86 Ų8651 Ų5140%0.40224%0.239SC..Hα-helixtrans-57-50.2175.6-174.4-173162.500111.4E121 K122 M127 F128 E129E121-E125 PolarHBondContact O-N 2.88Å; K122-E125 PolarHBondContact O-N 2.87Å; E125-M127 VanDerWaalsContact C-N 3.34Å; E125-M127 PolarHBondContact O-N 2.83Å; E125-F128 PolarHBondContact O-N 2.82Å; E125-E129 HydrophobicContact CG-CG 4.21Å; E125-E129 VanDerWaalsContact O-CB 3.23Å; E125-E129 WeakPolarHBondContact O-CB 3.43Å; E125-E129 WeakPolarHBondContact O-CG 3.33Å; E125-E129 PolarHBondContact O-N 3.11Å
126I95.9Very high94.5Very high11 Ų1150 Ų506%0.05623%0.234CC..Iπ-helixtrans-61.2-43.7179.8-69.1166.2000111.3W83 W90 K122 T123 K130 F131W83-I126 HydrophobicContact CD2-CD1 4.32Å; W83-I126 HydrophobicContact CE3-CD1 3.4Å; W83-I126 VanDerWaalsContact CE3-CD1 3.4Å; W83-I126 HydrophobicContact CZ3-CD1 3.89Å; W90-I126 HydrophobicContact CE3-CG2 4.14Å; W90-I126 HydrophobicContact CZ3-CB 4.42Å; W90-I126 HydrophobicContact CZ3-CD1 4.35Å; W90-I126 HydrophobicContact CZ3-CG2 3.88Å; K122-I126 HydrophobicContact CG-CD1 4.16Å; K122-I126 VanDerWaalsContact O-CG1 3.31Å; K122-I126 WeakPolarHBondContact O-CG1 3.49Å; K122-I126 PolarHBondContact O-N 2.82Å; T123-I126 PolarHBondContact O-N 3.42Å; I126-K130 HydrophobicContact CG2-CB 4.48Å; I126-K130 HydrophobicContact CG2-CD 4.4Å; I126-K130 WeakPolarHBondContact O-CA 3.36Å; I126-K130 VanDerWaalsContact O-CB 3.3Å; I126-K130 WeakPolarHBondContact O-CB 3.46Å; I126-K130 PolarHBondContact O-N 2.69Å; I126-F131 HydrophobicContact CG2-CD2 3.86Å; I126-F131 HydrophobicContact CG2-CE2 3.61Å; I126-F131 WeakPolarHBondContact O-CD2 3.28Å; I126-F131 PolarHBondContact O-N 2.83Å
127M95.5Very high94.6Very high0 Ų048 Ų480%022%0.219CC..Iπ-helixtrans-65.5-44.4-179.2-73.2-59.4175.500112.4W90 F94 M109 T123 T124 E125 F131 N132 V133 L136W90-M127 HydrophobicContact CB-CE 4.41Å; W90-M127 HydrophobicContact CD2-CE 3.46Å; W90-M127 VanDerWaalsContact CD2-CE 3.46Å; W90-M127 HydrophobicContact CE3-CE 3.67Å; W90-M127 HydrophobicContact CG-CE 3.82Å; W90-M127 HydrophobicContact CH2-CE 4.36Å; W90-M127 HydrophobicContact CZ2-CE 4.18Å; W90-M127 HydrophobicContact CZ3-CE 4.11Å; F94-M127 HydrophobicContact CE2-SD 4.45Å; M109-M127 HydrophobicContact CE-CE 3.41Å; M109-M127 VanDerWaalsContact CE-CE 3.41Å; M109-M127 HydrophobicContact SD-CE 3.39Å; M109-M127 WeakPolarHBondContact SD-CE 3.47Å; M109-M127 HydrophobicContact SD-CG 3.88Å; M109-M127 HydrophobicContact SD-SD 4.23Å; T123-M127 WeakPolarHBondContact O-CG 3.38Å; T123-M127 PolarHBondContact O-N 3.12Å; T124-M127 PolarHBondContact O-N 3.32Å; E125-M127 VanDerWaalsContact C-N 3.34Å; E125-M127 PolarHBondContact O-N 2.83Å; M127-F131 CarbonylContact O-C 3.5Å; M127-F131 WeakPolarHBondContact O-CB 3.32Å; M127-F131 PolarHBondContact O-N 3.47Å; M127-F131 HydrophobicContact SD-CB 4.42Å; M127-F131 HydrophobicContact SD-CD2 3.77Å; M127-F131 HydrophobicContact SD-CE2 4.42Å; M127-F131 HydrophobicContact SD-CG 4.32Å; M127-N132 PolarHBondContact O-N 3.16Å; M127-N132 VanDerWaalsContact O-N 3.09Å; M127-V133 HydrophobicContact CB-CG1 4.48Å; M127-V133 HydrophobicContact CB-CG2 3.94Å; M127-V133 WeakPolarHBondContact O-CG2 3.32Å; M127-V133 PolarHBondContact O-N 2.94Å; M127-V133 VanDerWaalsContact O-N 3.17Å; M127-V133 HydrophobicContact SD-CG1 4.43Å; M127-L136 HydrophobicContact CB-CD1 4.39Å; M127-L136 HydrophobicContact CB-CD2 4.11Å; M127-L136 HydrophobicContact CG-CD1 4.2Å; M127-L136 HydrophobicContact CG-CD2 4.44Å
128F95.8Very high94.7Very high11 Ų1139.9 Ų39.95%0.04819%0.188CC..Iπ-helixtrans-79-40-180-75.2-62.3000113.7T124 E125 N132 V133 L136 V358 A360 F363T124-F128 HydrophobicContact CG2-CD2 3.61Å; T124-F128 HydrophobicContact CG2-CE2 3.69Å; T124-F128 WeakPolarHBondContact O-CD2 3.23Å; T124-F128 PolarHBondContact O-N 3.39Å; E125-F128 PolarHBondContact O-N 2.82Å; F128-N132 VanDerWaalsContact O-CA 3.26Å; F128-N132 WeakPolarHBondContact O-CA 3.2Å; F128-N132 PolarHBondContact O-N 2.85Å; F128-V133 HydrophobicContact CD1-CG2 3.78Å; F128-V133 WeakPolarHBondContact CD1-O 3.13Å; F128-V133 HydrophobicContact CE1-CG2 3.81Å; F128-V133 WeakPolarHBondContact CE1-O 3.39Å; F128-V133 HydrophobicContact CG-CG2 4.38Å; F128-V133 HydrophobicContact CZ-CG2 4.43Å; F128-L136 HydrophobicContact CE2-CB 3.86Å; F128-L136 HydrophobicContact CE2-CD2 4.15Å; F128-L136 HydrophobicContact CZ-CB 3.67Å; F128-V358 HydrophobicContact CE2-CG1 3.9Å; F128-V358 HydrophobicContact CZ-CB 4.45Å; F128-V358 HydrophobicContact CZ-CG1 3.97Å; F128-V358 WeakPolarHBondContact CZ-O 3.4Å; F128-A360 HydrophobicContact CD1-CB 3.95Å; F128-A360 HydrophobicContact CE1-CB 3.95Å; F128-F363 HydrophobicContact CB-CD1 3.62Å; F128-F363 HydrophobicContact CB-CD2 4.41Å; F128-F363 HydrophobicContact CB-CE1 3.74Å; F128-F363 HydrophobicContact CB-CG 3.98Å; F128-F363 HydrophobicContact CB-CZ 4.2Å; F128-F363 HydrophobicContact CD1-CB 4.48Å; F128-F363 HydrophobicContact CD2-CB 3.76Å; F128-F363 HydrophobicContact CD2-CD1 4.11Å; F128-F363 AromaticContact CD2-CD2 3.59Å; F128-F363 HydrophobicContact CD2-CD2 3.59Å; F128-F363 HydrophobicContact CD2-CE2 4.19Å; F128-F363 AromaticContact CD2-CG 3.53Å; F128-F363 HydrophobicContact CD2-CG 3.53Å; F128-F363 HydrophobicContact CE2-CB 3.93Å; F128-F363 HydrophobicContact CE2-CD2 4.23Å; F128-F363 HydrophobicContact CE2-CG 4.18Å; F128-F363 HydrophobicContact CG-CB 4.06Å; F128-F363 AromaticContact CG-CD1 3.94Å; F128-F363 HydrophobicContact CG-CD1 3.94Å; F128-F363 HydrophobicContact CG-CD2 4.27Å; F128-F363 HydrophobicContact CG-CE1 4.49Å; F128-F363 AromaticContact CG-CG 3.82Å; F128-F363 HydrophobicContact CG-CG 3.82Å; F128-F363 HydrophobicContact CZ-CB 4.39Å
129E94.9Very high94.8Very high111 Ų11132.5 Ų32.552%0.51915%0.154SC..Iπ-helixtrans-85.5-44-174.2-61.4-169.5170.200112.9E125 F363E125-E129 HydrophobicContact CG-CG 4.21Å; E125-E129 VanDerWaalsContact O-CB 3.23Å; E125-E129 WeakPolarHBondContact O-CB 3.43Å; E125-E129 WeakPolarHBondContact O-CG 3.33Å; E125-E129 PolarHBondContact O-N 3.11Å; E129-F363 HydrophobicContact CG-CE1 4.02Å; E129-F363 HydrophobicContact CG-CZ 4.17Å
130K94.3Very high94.8Very high112 Ų11232 Ų3249%0.48715%0.15SC..Iπ-helixtrans-88.3-47.9-177.2-58.2-162.8177.3-171.50112E87 I126 N132E87-K130 VanDerWaalsContact CD-CD 3.42Å; E87-K130 VanDerWaalsContact CD-NZ 3.28Å; E87-K130 HydrophobicContact CG-CD 4.43Å; E87-K130 WeakPolarHBondContact OE1-CD 3.49Å; E87-K130 IonicContact OE1-NZ 3.29Å; E87-K130 PolarHBondContact OE1-NZ 3.03Å; E87-K130 WeakPolarHBondContact OE2-CD 3.33Å; E87-K130 IonicContact OE2-NZ 2.58Å; E87-K130 PolarHBondContact OE2-NZ 3.16Å; I126-K130 HydrophobicContact CG2-CB 4.48Å; I126-K130 HydrophobicContact CG2-CD 4.4Å; I126-K130 WeakPolarHBondContact O-CA 3.36Å; I126-K130 VanDerWaalsContact O-CB 3.3Å; I126-K130 WeakPolarHBondContact O-CB 3.46Å; I126-K130 PolarHBondContact O-N 2.69Å; K130-N132 PolarHBondContact O-ND2 3.46Å
131F94.1Very high94.6Very high23 Ų2332 Ų3210%0.10115%0.151CC..SBendtrans-87-13.6-178.2-65.5-74.3000113.2E87 W90 K91 F94 P102 I126 M127 V133E87-F131 HydrophobicContact CG-CE2 4.23Å; E87-F131 HydrophobicContact CG-CZ 4.04Å; W90-F131 HydrophobicContact CB-CE2 4.18Å; W90-F131 HydrophobicContact CB-CZ 3.84Å; W90-F131 HydrophobicContact CE3-CE2 4.06Å; K91-F131 HydrophobicContact CB-CE1 4.03Å; K91-F131 HydrophobicContact CB-CZ 4.27Å; F94-F131 HydrophobicContact CD2-CD1 4.21Å; F94-F131 HydrophobicContact CD2-CE1 4.26Å; F94-F131 HydrophobicContact CE2-CD1 4.34Å; P102-F131 HydrophobicContact CB-CB 3.91Å; P102-F131 HydrophobicContact CB-CD1 4.32Å; P102-F131 WeakPolarHBondContact CB-O 3.2Å; P102-F131 HydrophobicContact CG-CB 4.44Å; P102-F131 HydrophobicContact CG-CD1 3.95Å; I126-F131 HydrophobicContact CG2-CD2 3.86Å; I126-F131 HydrophobicContact CG2-CE2 3.61Å; I126-F131 WeakPolarHBondContact O-CD2 3.28Å; I126-F131 PolarHBondContact O-N 2.83Å; M127-F131 CarbonylContact O-C 3.5Å; M127-F131 WeakPolarHBondContact O-CB 3.32Å; M127-F131 PolarHBondContact O-N 3.47Å; M127-F131 HydrophobicContact SD-CB 4.42Å; M127-F131 HydrophobicContact SD-CD2 3.77Å; M127-F131 HydrophobicContact SD-CE2 4.42Å; M127-F131 HydrophobicContact SD-CG 4.32Å; F131-V133 HydrophobicContact CB-CG1 3.94Å; F131-V133 PolarHBondContact O-N 2.96Å
132N94.9Very high94.6Very high105 Ų10529.3 Ų29.356%0.56114%0.139SC*.  trans54.938.1179.4-65.4-76.2000113.1S103 M127 F128 K130S103-N132 WeakPolarHBondContact CA-O 3.31Å; M127-N132 PolarHBondContact O-N 3.16Å; M127-N132 VanDerWaalsContact O-N 3.09Å; F128-N132 VanDerWaalsContact O-CA 3.26Å; F128-N132 WeakPolarHBondContact O-CA 3.2Å; F128-N132 PolarHBondContact O-N 2.85Å; K130-N132 PolarHBondContact O-ND2 3.46Å
133V95.1Very high94.5Very high1 Ų126.5 Ų26.51%0.00613%0.128CC..  trans-65.4141.8-179.1-55.50000110.6P102 V107 M127 F128 F131 L136P102-V133 HydrophobicContact CB-CG1 4.23Å; V107-V133 HydrophobicContact CB-CG1 4.47Å; V107-V133 HydrophobicContact CG2-CB 4.08Å; V107-V133 HydrophobicContact CG2-CG1 3.64Å; M127-V133 HydrophobicContact CB-CG1 4.48Å; M127-V133 HydrophobicContact CB-CG2 3.94Å; M127-V133 WeakPolarHBondContact O-CG2 3.32Å; M127-V133 PolarHBondContact O-N 2.94Å; M127-V133 VanDerWaalsContact O-N 3.17Å; M127-V133 HydrophobicContact SD-CG1 4.43Å; F128-V133 HydrophobicContact CD1-CG2 3.78Å; F128-V133 WeakPolarHBondContact CD1-O 3.13Å; F128-V133 HydrophobicContact CE1-CG2 3.81Å; F128-V133 WeakPolarHBondContact CE1-O 3.39Å; F128-V133 HydrophobicContact CG-CG2 4.38Å; F128-V133 HydrophobicContact CZ-CG2 4.43Å; F131-V133 HydrophobicContact CB-CG1 3.94Å; F131-V133 PolarHBondContact O-N 2.96Å; V133-L136 HydrophobicContact CG2-CB 4.42Å
134P94.3Very high94.4Very high12 Ų1226 Ų268%0.07813%0.126CC..SBendtrans-70-37.8179.626.9-34.3000112.2F2 V6 Q105 A360F2-P134 HydrophobicContact CE2-CB 4.12Å; F2-P134 VanDerWaalsContact CE2-O 3.31Å; F2-P134 WeakPolarHBondContact CE2-O 3.36Å; V6-P134 HydrophobicContact CB-CB 4.44Å; V6-P134 HydrophobicContact CG1-CB 3.53Å; V6-P134 HydrophobicContact CG1-CG 3.44Å; V6-P134 VanDerWaalsContact CG1-CG 3.44Å; Q105-P134 VanDerWaalsContact C-CG 3.49Å; Q105-P134 WeakPolarHBondContact O-CD 2.99Å; Q105-P134 WeakPolarHBondContact O-CG 3.45Å; P134-A360 PolarHBondContact O-N 2.68Å
135A94.8Very high94.3Very high0 Ų026 Ų260%013%0.126CC..EExtended strand (participates in β ladder)trans-150.8150.7178.800000111.4L7 P106 V107 W357 V358L7-A135 HydrophobicContact CD2-CB 3.64Å; P106-A135 HydrophobicContact CB-CB 4.1Å; V107-A135 PolarHBondContact N-O 3.48Å; A135-W357 HydrophobicContact CB-CB 4.09Å; A135-W357 HydrophobicContact CB-CD2 4.25Å; A135-W357 HydrophobicContact CB-CE3 4.06Å; A135-W357 HydrophobicContact CB-CG 4.29Å; A135-V358 CarbonylContact C-O 3.46Å; A135-V358 WeakPolarHBondContact CA-O 3.27Å; A135-V358 WeakPolarHBondContact CB-O 3.35Å
136L95.7Very high94.2Very high1 Ų122.1 Ų22.11%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-133.7144.9-178.2179.667.4000110.1V107 M109 T124 M127 F128 V133 L138 V358V107-L136 HydrophobicContact CB-CD1 4.3Å; V107-L136 HydrophobicContact CG1-CD1 4.26Å; V107-L136 CarbonylContact O-C 3.48Å; V107-L136 VanDerWaalsContact O-CA 3.29Å; V107-L136 WeakPolarHBondContact O-CA 3.34Å; V107-L136 WeakPolarHBondContact O-CD1 3.45Å; M109-L136 HydrophobicContact CG-CD1 3.95Å; M109-L136 HydrophobicContact SD-CD1 3.74Å; T124-L136 HydrophobicContact CG2-CD2 4.08Å; M127-L136 HydrophobicContact CB-CD1 4.39Å; M127-L136 HydrophobicContact CB-CD2 4.11Å; M127-L136 HydrophobicContact CG-CD1 4.2Å; M127-L136 HydrophobicContact CG-CD2 4.44Å; F128-L136 HydrophobicContact CE2-CB 3.86Å; F128-L136 HydrophobicContact CE2-CD2 4.15Å; F128-L136 HydrophobicContact CZ-CB 3.67Å; V133-L136 HydrophobicContact CG2-CB 4.42Å; L136-L138 HydrophobicContact CD1-CD2 4.26Å; L136-L138 HydrophobicContact CD2-CD2 4.44Å; L136-L138 HydrophobicContact CG-CD2 4.42Å; L136-V358 PolarHBondContact N-O 2.93Å; L136-V358 VanDerWaalsContact O-CB 3.32Å; L136-V358 WeakPolarHBondContact O-CB 3.39Å; L136-V358 PolarHBondContact O-N 3.09Å
137Y95.3Very high94Very high17 Ų1723.3 Ų23.37%0.06712%0.116CC..EExtended strand (participates in β ladder)trans-139.1132.8164.4-173.7-94000110V107 F108 M109 C139 F353 M356 C375V107-Y137 PolarHBondContact O-N 2.63Å; F108-Y137 AromaticContact CD2-CD1 3.73Å; F108-Y137 HydrophobicContact CD2-CD1 3.73Å; F108-Y137 HydrophobicContact CD2-CG 4.38Å; F108-Y137 AromaticContact CE2-CD1 3.5Å; F108-Y137 HydrophobicContact CE2-CD1 3.5Å; F108-Y137 VanDerWaalsContact CE2-CD1 3.5Å; F108-Y137 AromaticContact CE2-CE1 3.97Å; F108-Y137 HydrophobicContact CE2-CE1 3.97Å; F108-Y137 HydrophobicContact CE2-CG 4.5Å; F108-Y137 HydrophobicContact CZ-CD1 4.35Å; M109-Y137 PolarHBondContact N-O 3.47Å; Y137-C139 HydrophobicContact CD1-CB 4.03Å; Y137-C139 HydrophobicContact CE1-CB 3.75Å; Y137-F353 HydrophobicContact CD1-CE2 4.15Å; Y137-F353 AromaticContact CD1-CZ 3.54Å; Y137-F353 HydrophobicContact CD1-CZ 3.54Å; Y137-F353 HydrophobicContact CD2-CE2 4.46Å; Y137-F353 AromaticContact CD2-CZ 3.96Å; Y137-F353 HydrophobicContact CD2-CZ 3.96Å; Y137-F353 HydrophobicContact CE1-CE2 4Å; Y137-F353 AromaticContact CE1-CZ 3.88Å; Y137-F353 HydrophobicContact CE1-CZ 3.88Å; Y137-F353 HydrophobicContact CE2-CE2 4.35Å; Y137-F353 HydrophobicContact CE2-CZ 4.29Å; Y137-F353 HydrophobicContact CG-CE1 4.36Å; Y137-F353 HydrophobicContact CG-CE2 4.35Å; Y137-F353 AromaticContact CG-CZ 3.56Å; Y137-F353 HydrophobicContact CG-CZ 3.56Å; Y137-M356 HydrophobicContact CD2-CB 4.18Å; Y137-M356 WeakPolarHBondContact CD2-O 3.31Å; Y137-M356 HydrophobicContact CE2-CB 3.92Å; Y137-M356 HydrophobicContact CE2-CE 4.2Å; Y137-C375 VanDerWaalsContact CD2-SG 3.56Å; Y137-C375 HydrophobicContact CE2-CB 4.47Å
138L95.1Very high93.8Very high3 Ų324.9 Ų24.92%0.01613%0.129CC..EExtended strand (participates in β ladder)trans-101.1124.2172.6-59.2-172.6000109.4M109 R120 T123 L136 V371 C375M109-L138 HydrophobicContact CB-CD2 3.78Å; M109-L138 HydrophobicContact CG-CD2 4.39Å; M109-L138 CarbonylContact O-C 3.46Å; M109-L138 WeakPolarHBondContact O-CA 3.38Å; M109-L138 HydrophobicContact SD-CD2 4.25Å; R120-L138 HydrophobicContact CB-CD1 3.99Å; R120-L138 HydrophobicContact CG-CD1 4.45Å; T123-L138 HydrophobicContact CG2-CD2 4.31Å; L136-L138 HydrophobicContact CD1-CD2 4.26Å; L136-L138 HydrophobicContact CD2-CD2 4.44Å; L136-L138 HydrophobicContact CG-CD2 4.42Å; L138-V371 HydrophobicContact CB-CG2 4.31Å; L138-V371 HydrophobicContact CD1-CG2 3.61Å; L138-V371 HydrophobicContact CG-CG2 3.82Å; L138-C375 HydrophobicContact CB-CB 4.29Å; L138-C375 PolarHBondContact N-SG 3.12Å; L138-C375 WeakPolarHBondContact O-CB 3.47Å
139C93.6Very high93.5Very high3 Ų325.9 Ų25.92%0.0214%0.138CC..EExtended strand (participates in β ladder)trans-117.5137.1-180-170.20000111.5F108 M109 T110 E111 Y137 H141F108-C139 HydrophobicContact CE1-CB 3.63Å; F108-C139 HydrophobicContact CE2-CB 3.79Å; F108-C139 HydrophobicContact CZ-CB 3.14Å; M109-C139 PolarHBondContact O-N 3.01Å; T110-C139 CarbonylContact C-O 3.12Å; T110-C139 WeakPolarHBondContact CA-O 3.48Å; E111-C139 PolarHBondContact N-O 2.73Å; Y137-C139 HydrophobicContact CD1-CB 4.03Å; Y137-C139 HydrophobicContact CE1-CB 3.75Å; C139-H141 PolarHBondContact O-N 2.94Å
140N92.4Very high93.2Very high8 Ų825.1 Ų25.14%0.04315%0.151CC..EExtended strand (participates in β ladder)trans-67131.4172.6-174.5-19.1000110.8E111 S113 A142 V143 G144E111-N140 WeakPolarHBondContact O-CA 3.04Å; S113-N140 PolarHBondContact OG-ND2 3.49Å; S113-N140 PolarHBondContact OG-OD1 2.97Å; N140-A142 PolarHBondContact O-N 2.67Å; N140-A142 VanDerWaalsContact O-N 3.12Å; N140-A142 PolarHBondContact OD1-N 2.9Å; N140-V143 HydrophobicContact CB-CB 4.34Å; N140-V143 HydrophobicContact CB-CG2 3.99Å; N140-V143 PolarHBondContact O-N 2.73Å; N140-G144 PolarHBondContact O-N 3.31Å; N140-G144 VanDerWaalsContact O-N 3.09Å
141H91.4Very high92.9Very high19 Ų1921.3 Ų21.39%0.08814%0.138CC..Hα-helixtrans-46-45.8179.1-67.7148.2000113D15 T110 E111 C139 G144 A145D15-H141 IonicContact OD1-CD2 3.53Å; D15-H141 PolarHBondContact OD1-CD2 3.38Å; D15-H141 IonicContact OD1-NE2 3.24Å; T110-H141 WeakPolarHBondContact CB-CD2 3.36Å; T110-H141 PolarHBondContact OG1-CD2 3.46Å; T110-H141 PolarHBondContact OG1-NE2 3.41Å; E111-H141 PolarHBondContact O-N 2.78Å; C139-H141 PolarHBondContact O-N 2.94Å; H141-G144 PolarHBondContact O-N 2.91Å; H141-A145 WeakPolarHBondContact O-CB 3.28Å; H141-A145 PolarHBondContact O-N 2.98Å
142A93.1Very high92.7Very high0 Ų025.9 Ų25.90%016%0.162CC..Hα-helixtrans-66.7-39.3-177.200000112.5N140 A145 L146 V156 V167 I169N140-A142 PolarHBondContact O-N 2.67Å; N140-A142 VanDerWaalsContact O-N 3.12Å; N140-A142 PolarHBondContact OD1-N 2.9Å; A142-A145 PolarHBondContact O-N 2.97Å; A142-L146 PolarHBondContact O-N 3.09Å; A142-V156 HydrophobicContact CB-CB 3.95Å; A142-V156 HydrophobicContact CB-CG1 4.02Å; A142-V156 HydrophobicContact CB-CG2 4.37Å; A142-V167 HydrophobicContact CB-CB 3.56Å; A142-V167 HydrophobicContact CB-CG1 3.78Å; A142-V167 HydrophobicContact CB-CG2 3.69Å; A142-I169 HydrophobicContact CB-CD1 4.16Å
143V93.3Very high92.6Very high23 Ų2321.7 Ų21.714%0.13914%0.14CC..Hα-helixtrans-66.5-42.4178.1178.10000110.3N140 L146 C147 I169 A174N140-V143 HydrophobicContact CB-CB 4.34Å; N140-V143 HydrophobicContact CB-CG2 3.99Å; N140-V143 PolarHBondContact O-N 2.73Å; V143-L146 PolarHBondContact O-N 3.15Å; V143-C147 WeakPolarHBondContact O-CB 3.33Å; V143-C147 PolarHBondContact O-N 3.17Å; V143-I169 HydrophobicContact CB-CD1 4.44Å; V143-I169 HydrophobicContact CG2-CD1 3.91Å; V143-I169 HydrophobicContact CG2-CG1 4.43Å; V143-A174 HydrophobicContact CG2-CB 4.22Å
144G92.6Very high92.7Very high1 Ų121.7 Ų21.71%0.0114%0.14CC..Hα-helixtrans-57.8-49.1170.700000111.7N140 H141 L146 C147 A148 G343N140-G144 PolarHBondContact O-N 3.31Å; N140-G144 VanDerWaalsContact O-N 3.09Å; H141-G144 PolarHBondContact O-N 2.91Å; G144-L146 VanDerWaalsContact C-N 3.35Å; G144-L146 PolarHBondContact O-N 2.94Å; G144-C147 WeakPolarHBondContact O-CB 3.47Å; G144-C147 PolarHBondContact O-N 3.43Å; G144-C147 VanDerWaalsContact O-N 3.17Å; G144-A148 PolarHBondContact O-N 2.64Å; G144-G343 VanDerWaalsContact O-CA 3.28Å; G144-G343 WeakPolarHBondContact O-CA 3.33Å
145A93.4Very high92.8Very high0 Ų021.1 Ų21.10%014%0.136CC..Hα-helixtrans-61.2-40.4-179.100000113.4H141 A142 A148 S149 V156 S301H141-A145 WeakPolarHBondContact O-CB 3.28Å; H141-A145 PolarHBondContact O-N 2.98Å; A142-A145 PolarHBondContact O-N 2.97Å; A145-A148 WeakPolarHBondContact O-CB 3.41Å; A145-A148 PolarHBondContact O-N 3.36Å; A145-S149 PolarHBondContact O-N 3.21Å; A145-V156 HydrophobicContact CB-CG1 4.17Å; A145-S301 WeakPolarHBondContact CB-OG 3.44Å
146L93.2Very high92.9Very high4 Ų421.1 Ų21.12%0.02114%0.136CC..Hα-helixtrans-64.8-41.3176-167.971.4000111.6A142 V143 G144 A148 S149 A150 C151 V156 I169 V299A142-L146 PolarHBondContact O-N 3.09Å; V143-L146 PolarHBondContact O-N 3.15Å; G144-L146 VanDerWaalsContact C-N 3.35Å; G144-L146 PolarHBondContact O-N 2.94Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 2.89Å; L146-S149 PolarHBondContact O-N 3.28Å; L146-A150 PolarHBondContact O-N 3.19Å; L146-C151 HydrophobicContact CD1-CB 3.67Å; L146-C151 HydrophobicContact CG-CB 3.92Å; L146-C151 WeakPolarHBondContact CG-O 3.48Å; L146-C151 PolarHBondContact O-N 3.24Å; L146-V156 HydrophobicContact CB-CG2 3.86Å; L146-V156 HydrophobicContact CD1-CG2 3.99Å; L146-V156 HydrophobicContact CG-CG2 4.45Å; L146-I169 HydrophobicContact CB-CD1 4.03Å; L146-I169 HydrophobicContact CD2-CB 3.74Å; L146-I169 HydrophobicContact CD2-CD1 3.85Å; L146-I169 HydrophobicContact CD2-CG1 4.4Å; L146-I169 HydrophobicContact CD2-CG2 3.59Å; L146-V299 HydrophobicContact CD1-CB 4.45Å; L146-V299 HydrophobicContact CD1-CG2 3.82Å
147C91.9Very high92.9Very high35 Ų3521.1 Ų21.124%0.23614%0.137CC..Hα-helixtrans-61.7-37.2177.1-171.50000111.9V143 G144 S149 A150 M347V143-C147 WeakPolarHBondContact O-CB 3.33Å; V143-C147 PolarHBondContact O-N 3.17Å; G144-C147 WeakPolarHBondContact O-CB 3.47Å; G144-C147 PolarHBondContact O-N 3.43Å; G144-C147 VanDerWaalsContact O-N 3.17Å; C147-S149 PolarHBondContact O-N 3.25Å; C147-A150 PolarHBondContact O-N 3.5Å; C147-M347 HydrophobicContact CB-CG 4.22Å; C147-M347 HydrophobicContact CB-SD 4.3Å; C147-M347 VanDerWaalsContact SG-CG 3.52Å
148A91.8Very high92.9Very high33 Ų3321.1 Ų21.127%0.27314%0.138SC..Hα-helixtrans-63-28.6174.500000113.3G144 A145 L146 A150 S339 I342G144-A148 PolarHBondContact O-N 2.64Å; A145-A148 WeakPolarHBondContact O-CB 3.41Å; A145-A148 PolarHBondContact O-N 3.36Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 2.89Å; A148-A150 VanDerWaalsContact C-N 3.25Å; A148-A150 PolarHBondContact O-N 3.47Å; A148-S339 VanDerWaalsContact CB-O 3.23Å; A148-S339 WeakPolarHBondContact CB-O 3.37Å; A148-I342 HydrophobicContact CB-CB 4.18Å; A148-I342 HydrophobicContact CB-CG2 4.07Å
149S89.2Confident92.9Very high32 Ų3221.1 Ų21.122%0.22414%0.138CC..THydrogen-bonded Turntrans-84.25.3173.7-63.20000113.8A145 L146 C147 C151 V299A145-S149 PolarHBondContact O-N 3.21Å; L146-S149 PolarHBondContact O-N 3.28Å; C147-S149 PolarHBondContact O-N 3.25Å; S149-C151 PolarHBondContact O-N 3.22Å; S149-V299 WeakPolarHBondContact OG-CG1 3.18Å
150A88Confident92.9Very high95 Ų9522 Ų2279%0.78515%0.148SC*.THydrogen-bonded Turntrans56.726.2-175.600000114L146 C147 A148L146-A150 PolarHBondContact O-N 3.19Å; C147-A150 PolarHBondContact O-N 3.5Å; A148-A150 VanDerWaalsContact C-N 3.25Å; A148-A150 PolarHBondContact O-N 3.47Å
151C88.1Confident92.9Very high32 Ų3223.2 Ų23.222%0.21615%0.154CC..  trans-102.8151.4174.2-670000109.9L146 S149L146-C151 HydrophobicContact CD1-CB 3.67Å; L146-C151 HydrophobicContact CG-CB 3.92Å; L146-C151 WeakPolarHBondContact CG-O 3.48Å; L146-C151 PolarHBondContact O-N 3.24Å; S149-C151 PolarHBondContact O-N 3.22Å
152I89.2Confident92.9Very high119 Ų11922.4 Ų22.461%0.6115%0.151SC*.SBendtrans-112.7-22.1175.158.9169.2000112.8E171 G172I152-E171 PolarHBondContact O-N 3.02Å; I152-G172 PolarHBondContact O-N 3.34Å
153T94.1Very high92.9Very high18 Ų1823.3 Ų23.311%0.1116%0.156CC..SBendtrans-130.5139.6179.1-62.10000107.7I169 Y170 E171 T293T153-I169 CarbonylContact C-O 3.55Å; T153-I169 WeakPolarHBondContact CA-O 3.49Å; T153-Y170 HydrophobicContact CG2-CD2 3.55Å; T153-Y170 HydrophobicContact CG2-CE2 4.15Å; T153-Y170 HydrophobicContact CG2-CG 4.42Å; T153-E171 PolarHBondContact OG1-N 2.94Å; T153-T293 HydrophobicContact CG2-CG2 3.65Å
154G95.6Very high93Very high0 Ų022.2 Ų22.20%015%0.15CC..EExtended strand (participates in β ladder)trans158.4171.1179.700000112.7I169 L294 D297G154-I169 PolarHBondContact N-O 3.21Å; G154-I169 PolarHBondContact O-N 3.15Å; G154-L294 VanDerWaalsContact C-CD2 3.45Å; G154-L294 WeakPolarHBondContact O-CD2 3.17Å; G154-D297 CarbonylContact C-O 3.52Å; G154-D297 WeakPolarHBondContact CA-O 3.22Å
155L96.9Very high93.1Very high0 Ų022.4 Ų22.40%015%0.151CC..EExtended strand (participates in β ladder)trans-96.2124.4170.6-177.579000109.5V157 P168 A279 I283 D297 I298 V299L155-V157 HydrophobicContact CD2-CG2 4.09Å; L155-P168 HydrophobicContact CD1-CB 3.9Å; L155-P168 HydrophobicContact CD1-CG 4.39Å; L155-A279 HydrophobicContact CD2-CB 3.67Å; L155-I283 HydrophobicContact CD1-CG1 4.27Å; L155-I283 HydrophobicContact CD2-CD1 3.87Å; L155-I283 HydrophobicContact CD2-CG1 4.01Å; L155-I283 HydrophobicContact CG-CG1 4.5Å; L155-D297 PolarHBondContact N-O 3.41Å; L155-I298 HydrophobicContact CB-CG1 4.29Å; L155-I298 HydrophobicContact CD2-CG2 4.48Å; L155-I298 CarbonylContact O-C 3.46Å; L155-I298 VanDerWaalsContact O-CA 3.29Å; L155-I298 WeakPolarHBondContact O-CA 3.41Å; L155-V299 PolarHBondContact O-N 2.81Å
156V96.9Very high93.3Very high0 Ų022.4 Ų22.40%015%0.151CC..EExtended strand (participates in β ladder)trans-97125.2170.7-1790000109.5A142 A145 L146 D158 T166 V167 I169 V299A142-V156 HydrophobicContact CB-CB 3.95Å; A142-V156 HydrophobicContact CB-CG1 4.02Å; A142-V156 HydrophobicContact CB-CG2 4.37Å; A145-V156 HydrophobicContact CB-CG1 4.17Å; L146-V156 HydrophobicContact CB-CG2 3.86Å; L146-V156 HydrophobicContact CD1-CG2 3.99Å; L146-V156 HydrophobicContact CG-CG2 4.45Å; V156-D158 HydrophobicContact CG1-CB 4.33Å; V156-T166 CarbonylContact O-C 3.54Å; V156-T166 VanDerWaalsContact O-CA 3.28Å; V156-T166 WeakPolarHBondContact O-CA 3.43Å; V156-V167 PolarHBondContact N-O 3.05Å; V156-V167 PolarHBondContact O-N 2.81Å; V156-I169 HydrophobicContact CG2-CD1 3.9Å; V156-V299 WeakPolarHBondContact CA-O 3.4Å; V156-V299 HydrophobicContact CG2-CB 4.41Å
157V96.6Very high93.4Very high2 Ų222.2 Ų22.21%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-103.399.4168.7-177.50000107.1L155 T166 A279 I298 V299 L300 S301L155-V157 HydrophobicContact CD2-CG2 4.09Å; V157-T166 HydrophobicContact CB-CG2 4.27Å; V157-T166 HydrophobicContact CG1-CG2 4.06Å; V157-T166 HydrophobicContact CG2-CG2 3.84Å; V157-A279 HydrophobicContact CG2-CB 4.32Å; V157-I298 HydrophobicContact CG2-CG2 3.98Å; V157-V299 PolarHBondContact N-O 3.02Å; V157-L300 HydrophobicContact CB-CD2 3.8Å; V157-L300 HydrophobicContact CG1-CD2 4.24Å; V157-L300 HydrophobicContact CG2-CD2 4.38Å; V157-S301 PolarHBondContact O-N 2.9Å
158D95.1Very high93.7Very high16 Ų1620.6 Ų20.69%0.08614%0.139CC..EExtended strand (participates in β ladder)trans-99.8121.9179.5177.430.7000109.9V156 T164 C165 S301V156-D158 HydrophobicContact CG1-CB 4.33Å; D158-T164 CarbonylContact O-C 3.52Å; D158-T164 VanDerWaalsContact O-CA 3.25Å; D158-T164 WeakPolarHBondContact O-CA 3.44Å; D158-T164 WeakPolarHBondContact O-CG2 3.5Å; D158-C165 PolarHBondContact N-O 3.07Å; D158-C165 PolarHBondContact O-N 2.8Å; D158-S301 WeakPolarHBondContact CA-O 3.45Å
159S95.3Very high93.9Very high4 Ų419 Ų193%0.02813%0.126CC..EExtended strand (participates in β ladder)trans-126.2103.2174.7-165.80000110.5T164 S301 G302 G303 T304S159-T164 PolarHBondContact OG-OG1 3.42Å; S159-S301 PolarHBondContact N-O 3.25Å; S159-G302 CarbonylContact O-C 3.56Å; S159-G302 VanDerWaalsContact O-CA 3.31Å; S159-G302 WeakPolarHBondContact O-CA 3.41Å; S159-G303 PolarHBondContact O-N 3.44Å; S159-T304 VanDerWaalsContact O-CB 3.31Å; S159-T304 WeakPolarHBondContact O-CB 3.33Å; S159-T304 PolarHBondContact O-N 2.92Å; S159-T304 VanDerWaalsContact OG-CB 3.3Å; S159-T304 WeakPolarHBondContact OG-CB 3.28Å; S159-T304 WeakPolarHBondContact OG-CG2 3.5Å
160G93.1Very high94.1Very high22 Ų2221.6 Ų21.623%0.22713%0.131CC..  trans-96.6-154.8179.200000113.3V163 A185 G186 T304G160-V163 PolarHBondContact N-O 3.23Å; G160-A185 WeakPolarHBondContact O-CB 3.32Å; G160-G186 PolarHBondContact O-N 2.82Å; G160-T304 PolarHBondContact O-OG1 2.73Å
161D92.2Very high94.2Very high33 Ų3323 Ų2318%0.17612%0.122CC..SBendtrans-77.5-38.8176.6-179.260.6000112.9G19 G186 R187G19-D161 WeakPolarHBondContact CA-OD2 3.31Å; D161-G186 PolarHBondContact O-N 3.47Å; D161-R187 WeakPolarHBondContact O-CB 3.37Å; D161-R187 PolarHBondContact O-N 3.29Å; D161-R187 PolarHBondContact OD1-N 2.92Å; D161-R187 IonicContact OD2-CZ 3.45Å; D161-R187 IonicContact OD2-NE 2.79Å; D161-R187 PolarHBondContact OD2-NE 3.2Å; D161-R187 IonicContact OD2-NH2 2.59Å; D161-R187 PolarHBondContact OD2-NH2 3.48Å
162G91.1Very high94.2Very high2 Ų223.3 Ų23.32%0.02113%0.13CC..SBendtrans-111-17.4-17200000116R77R77-G162 PolarHBondContact NH1-O 3.16Å
163V93.7Very high94.2Very high18 Ų1825 Ų2511%0.10913%0.13CC..  trans-149.2145.9-175.366.20000110.1G160 Y183G160-V163 PolarHBondContact N-O 3.23Å; V163-Y183 HydrophobicContact CG2-CD1 4.4Å; V163-Y183 HydrophobicContact CG2-CE1 4.5Å
164T95Very high94.1Very high0 Ų025.3 Ų25.30%013%0.134CC..EExtended strand (participates in β ladder)trans-115.3131.4164.3-56.70000108.2D158 S159 L182 V184 I275 M278D158-T164 CarbonylContact O-C 3.52Å; D158-T164 VanDerWaalsContact O-CA 3.25Å; D158-T164 WeakPolarHBondContact O-CA 3.44Å; D158-T164 WeakPolarHBondContact O-CG2 3.5Å; S159-T164 PolarHBondContact OG-OG1 3.42Å; T164-L182 PolarHBondContact N-O 2.87Å; T164-L182 PolarHBondContact O-N 3.36Å; T164-V184 WeakPolarHBondContact CB-O 3.49Å; T164-V184 PolarHBondContact OG1-O 2.98Å; T164-I275 HydrophobicContact CG2-CG2 3.75Å; T164-M278 HydrophobicContact CG2-CE 3.73Å
165C95.3Very high94.1Very high6 Ų627 Ų274%0.04114%0.143CC..EExtended strand (participates in β ladder)trans-134.7151.8177.1600000111.5D158 V167 T180 K181D158-C165 PolarHBondContact N-O 3.07Å; D158-C165 PolarHBondContact O-N 2.8Å; C165-V167 HydrophobicContact CB-CG2 4.38Å; C165-T180 VanDerWaalsContact CA-O 3.28Å; C165-T180 WeakPolarHBondContact CA-O 3.21Å; C165-T180 WeakPolarHBondContact CB-O 3.42Å; C165-K181 HydrophobicContact CB-CG 4.18Å
166T96.4Very high93.8Very high0 Ų030.7 Ų30.70%017%0.169CC..EExtended strand (participates in β ladder)trans-115.9127.1164.366.40000109.5V156 V157 T180 M278 A279 S282V156-T166 CarbonylContact O-C 3.54Å; V156-T166 VanDerWaalsContact O-CA 3.28Å; V156-T166 WeakPolarHBondContact O-CA 3.43Å; V157-T166 HydrophobicContact CB-CG2 4.27Å; V157-T166 HydrophobicContact CG1-CG2 4.06Å; V157-T166 HydrophobicContact CG2-CG2 3.84Å; T166-T180 PolarHBondContact N-O 2.78Å; T166-T180 PolarHBondContact O-N 3.11Å; T166-T180 VanDerWaalsContact O-N 3.17Å; T166-T180 PolarHBondContact OG1-OG1 3.03Å; T166-M278 HydrophobicContact CG2-CE 3.68Å; T166-M278 HydrophobicContact CG2-CG 3.99Å; T166-M278 HydrophobicContact CG2-SD 4.48Å; T166-M278 PolarHBondContact OG1-O 3.31Å; T166-A279 HydrophobicContact CG2-CB 4.13Å; T166-S282 VanDerWaalsContact OG1-CB 3.23Å; T166-S282 WeakPolarHBondContact OG1-CB 2.98Å
167V96.4Very high93.7Very high0 Ų036.1 Ų36.10%019%0.194CC..EExtended strand (participates in β ladder)trans-127.6109-171.4-175.80000108S113 A142 V156 C165 I169 A174 I179S113-V167 VanDerWaalsContact OG-CG2 3.27Å; S113-V167 WeakPolarHBondContact OG-CG2 3.44Å; A142-V167 HydrophobicContact CB-CB 3.56Å; A142-V167 HydrophobicContact CB-CG1 3.78Å; A142-V167 HydrophobicContact CB-CG2 3.69Å; V156-V167 PolarHBondContact N-O 3.05Å; V156-V167 PolarHBondContact O-N 2.81Å; C165-V167 HydrophobicContact CB-CG2 4.38Å; V167-I169 HydrophobicContact CG1-CG1 4.09Å; V167-A174 HydrophobicContact CG1-CB 3.97Å; V167-I179 HydrophobicContact CG1-CD1 4.05Å; V167-I179 HydrophobicContact CG1-CG1 4.13Å; V167-I179 HydrophobicContact CG2-CG2 4.24Å
168P96.8Very high93.6Very high0 Ų036 Ų360%019%0.194CC..EExtended strand (participates in β ladder)trans-80131.1173.625-19000108.8L155 L175 A178 S282 L294L155-P168 HydrophobicContact CD1-CB 3.9Å; L155-P168 HydrophobicContact CD1-CG 4.39Å; P168-L175 HydrophobicContact CB-CD1 4.43Å; P168-L175 HydrophobicContact CG-CB 4.18Å; P168-L175 PolarHBondContact O-N 2.94Å; P168-A178 HydrophobicContact CG-CB 3.47Å; P168-A178 VanDerWaalsContact CG-CB 3.47Å; P168-S282 VanDerWaalsContact CD-OG 3.31Å; P168-S282 WeakPolarHBondContact CD-OG 3.46Å; P168-S282 WeakPolarHBondContact CG-OG 2.99Å; P168-L294 HydrophobicContact CB-CD1 3.93Å; P168-L294 HydrophobicContact CB-CD2 4.21Å
169I95.9Very high93.6Very high0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-123.5131.8-178.3-60.3168.4000107.7A142 V143 L146 T153 G154 V156 V167 Y173 A174A142-I169 HydrophobicContact CB-CD1 4.16Å; V143-I169 HydrophobicContact CB-CD1 4.44Å; V143-I169 HydrophobicContact CG2-CD1 3.91Å; V143-I169 HydrophobicContact CG2-CG1 4.43Å; L146-I169 HydrophobicContact CB-CD1 4.03Å; L146-I169 HydrophobicContact CD2-CB 3.74Å; L146-I169 HydrophobicContact CD2-CD1 3.85Å; L146-I169 HydrophobicContact CD2-CG1 4.4Å; L146-I169 HydrophobicContact CD2-CG2 3.59Å; T153-I169 CarbonylContact C-O 3.55Å; T153-I169 WeakPolarHBondContact CA-O 3.49Å; G154-I169 PolarHBondContact N-O 3.21Å; G154-I169 PolarHBondContact O-N 3.15Å; V156-I169 HydrophobicContact CG2-CD1 3.9Å; V167-I169 HydrophobicContact CG1-CG1 4.09Å; I169-Y173 VanDerWaalsContact CA-O 3.31Å; I169-Y173 WeakPolarHBondContact CA-O 3.38Å; I169-A174 HydrophobicContact CG1-CB 4.4Å
170Y94.5Very high93.6Very high86 Ų8636.7 Ų36.734%0.33720%0.197SC..EExtended strand (participates in β ladder)trans-129.5122.4177.2-173.1-99.1000109.5T153 G172 Y173 I290T153-Y170 HydrophobicContact CG2-CD2 3.55Å; T153-Y170 HydrophobicContact CG2-CE2 4.15Å; T153-Y170 HydrophobicContact CG2-CG 4.42Å; Y170-G172 PolarHBondContact O-N 2.67Å; Y170-G172 VanDerWaalsContact O-N 3.15Å; Y170-Y173 PolarHBondContact N-O 3.42Å; Y170-Y173 PolarHBondContact O-N 3.1Å; Y170-I290 HydrophobicContact CD2-CB 4.07Å; Y170-I290 HydrophobicContact CD2-CG2 3.65Å; Y170-I290 HydrophobicContact CE1-CG2 4.49Å; Y170-I290 HydrophobicContact CE2-CB 4.14Å; Y170-I290 HydrophobicContact CE2-CG2 3.37Å; Y170-I290 HydrophobicContact CG-CG2 4.34Å
171E90.7Very high93.6Very high125 Ų12538.6 Ų38.658%0.58420%0.199SC*.THydrogen-bonded Turntrans50.738.7-178.9-61.1-172.5152.300113.5I152 T153 Y173I152-E171 PolarHBondContact O-N 3.02Å; T153-E171 PolarHBondContact OG1-N 2.94Å; E171-Y173 VanDerWaalsContact C-N 3.34Å; E171-Y173 WeakPolarHBondContact O-CD2 3.31Å
172G86.4Confident93.7Very high38 Ų3837 Ų3739%0.39219%0.191SC..THydrogen-bonded Turntrans84.5-3.5-179.400000115.6I152 Y170I152-G172 PolarHBondContact O-N 3.34Å; Y170-G172 PolarHBondContact O-N 2.67Å; Y170-G172 VanDerWaalsContact O-N 3.15Å
173Y89.6Confident93.7Very high156 Ų15641.9 Ų41.961%0.61221%0.209SC*.EExtended strand (participates in β ladder)trans-101.7128.1178.1-63.6-84.5000111.9I169 Y170 E171I169-Y173 VanDerWaalsContact CA-O 3.31Å; I169-Y173 WeakPolarHBondContact CA-O 3.38Å; Y170-Y173 PolarHBondContact N-O 3.42Å; Y170-Y173 PolarHBondContact O-N 3.1Å; E171-Y173 VanDerWaalsContact C-N 3.34Å; E171-Y173 WeakPolarHBondContact O-CD2 3.31Å
174A93.3Very high93.7Very high24 Ų2441 Ų4120%0.19820%0.204CC..EExtended strand (participates in β ladder)trans-76.1123.3173.300000111V143 V167 I169 S176V143-A174 HydrophobicContact CG2-CB 4.22Å; V167-A174 HydrophobicContact CG1-CB 3.97Å; I169-A174 HydrophobicContact CG1-CB 4.4Å; A174-S176 PolarHBondContact O-N 2.69Å
175L94.1Very high93.6Very high36 Ų3641 Ų4119%0.18820%0.204CC..  trans-81.187.2-178.2-59.9177.6000110.9P168 H177 A178 I179 I290P168-L175 HydrophobicContact CB-CD1 4.43Å; P168-L175 HydrophobicContact CG-CB 4.18Å; P168-L175 PolarHBondContact O-N 2.94Å; L175-H177 VanDerWaalsContact C-N 3.26Å; L175-H177 PolarHBondContact O-N 3.32Å; L175-H177 VanDerWaalsContact O-N 3.09Å; L175-A178 HydrophobicContact CB-CB 4.4Å; L175-A178 PolarHBondContact O-N 3.22Å; L175-I179 WeakPolarHBondContact O-CG1 3.48Å; L175-I179 PolarHBondContact O-N 3.45Å; L175-I290 HydrophobicContact CD1-CD1 3.49Å; L175-I290 VanDerWaalsContact CD1-CD1 3.49Å
176S92.4Very high93.4Very high77 Ų7740.8 Ų40.854%0.53820%0.203SC..G310 helixtrans-50.6-35.9-173.357.50000115.8A174 A178A174-S176 PolarHBondContact O-N 2.69Å; S176-A178 VanDerWaalsContact C-N 3.3Å; S176-A178 PolarHBondContact O-N 3.14Å
177H93.5Very high93.2Very high114 Ų11442.9 Ų42.953%0.52821%0.21SC..G310 helixtrans-70.5-24.3-179.864.1-88.8000113.6L175L175-H177 VanDerWaalsContact C-N 3.26Å; L175-H177 PolarHBondContact O-N 3.32Å; L175-H177 VanDerWaalsContact O-N 3.09Å
178A95.4Very high93Very high0 Ų043.6 Ų43.60%021%0.214CC..G310 helixtrans-101.1-0.1-176.900000112.8P168 L175 S176 S282 K285 C286P168-A178 HydrophobicContact CG-CB 3.47Å; P168-A178 VanDerWaalsContact CG-CB 3.47Å; L175-A178 HydrophobicContact CB-CB 4.4Å; L175-A178 PolarHBondContact O-N 3.22Å; S176-A178 VanDerWaalsContact C-N 3.3Å; S176-A178 PolarHBondContact O-N 3.14Å; A178-S282 WeakPolarHBondContact O-CA 3.45Å; A178-S282 WeakPolarHBondContact O-CB 3.18Å; A178-S282 PolarHBondContact O-OG 3.27Å; A178-K285 HydrophobicContact CB-CB 3.81Å; A178-C286 VanDerWaalsContact CB-SG 3.52Å
179I95.6Very high92.7Very high16 Ų1643.6 Ų43.68%0.08221%0.214CC..  trans-69.3134.4175.5-59.3-179.7000110.1L114 V167 L175L114-I179 HydrophobicContact CD1-CB 4.07Å; L114-I179 HydrophobicContact CD1-CG2 3.93Å; L114-I179 HydrophobicContact CD2-CD1 4.16Å; L114-I179 HydrophobicContact CG-CB 4.4Å; L114-I179 HydrophobicContact CG-CD1 4.1Å; L114-I179 HydrophobicContact CG-CG2 4.23Å; V167-I179 HydrophobicContact CG1-CD1 4.05Å; V167-I179 HydrophobicContact CG1-CG1 4.13Å; V167-I179 HydrophobicContact CG2-CG2 4.24Å; L175-I179 WeakPolarHBondContact O-CG1 3.48Å; L175-I179 PolarHBondContact O-N 3.45Å
180T94.7Very high92.5Very high17 Ų1743.7 Ų43.710%0.10422%0.215CC..EExtended strand (participates in β ladder)trans-126143.9173.847.60000109.6C165 T166 M278C165-T180 VanDerWaalsContact CA-O 3.28Å; C165-T180 WeakPolarHBondContact CA-O 3.21Å; C165-T180 WeakPolarHBondContact CB-O 3.42Å; T166-T180 PolarHBondContact N-O 2.78Å; T166-T180 PolarHBondContact O-N 3.11Å; T166-T180 VanDerWaalsContact O-N 3.17Å; T166-T180 PolarHBondContact OG1-OG1 3.03Å; T180-M278 WeakPolarHBondContact OG1-CG 3.17Å
181K93.1Very high92.2Very high62 Ų6244.9 Ų44.927%0.2722%0.224SC..EExtended strand (participates in β ladder)trans-129.3139.6-177-67.9-176.6176.3-177.50109.5S113 C165S113-K181 WeakPolarHBondContact O-CE 3.42Å; S113-K181 PolarHBondContact O-NZ 3.02Å; C165-K181 HydrophobicContact CB-CG 4.18Å
182L93.3Very high92.1Very high1 Ų140.4 Ų40.41%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-124.1123.9172.9176.765.7000107.9T164 V184 P265 D272 I275 M278T164-L182 PolarHBondContact N-O 2.87Å; T164-L182 PolarHBondContact O-N 3.36Å; L182-V184 HydrophobicContact CD1-CB 4.25Å; L182-V184 HydrophobicContact CD1-CG2 3.94Å; L182-V184 HydrophobicContact CD2-CB 4.02Å; L182-V184 HydrophobicContact CG-CB 3.84Å; L182-V184 HydrophobicContact CG-CG2 4.1Å; L182-V184 PolarHBondContact O-N 3.13Å; L182-P265 HydrophobicContact CD1-CB 4.44Å; L182-D272 HydrophobicContact CD1-CB 3.58Å; L182-I275 HydrophobicContact CD2-CG2 4.4Å; L182-M278 HydrophobicContact CB-CE 4.05Å; L182-M278 HydrophobicContact CB-SD 3.78Å
183Y92.3Very high92.1Very high103 Ų10338.6 Ų38.640%0.40418%0.184SC..SBendtrans-85.344175.7-62.9-68.6000111.5R77 V163R77-Y183 HydrophobicContact CB-CD1 4.02Å; R77-Y183 HydrophobicContact CB-CE1 4.25Å; R77-Y183 HydrophobicContact CG-CD1 4.39Å; R77-Y183 PolarHBondContact NH1-O 3.28Å; V163-Y183 HydrophobicContact CG2-CD1 4.4Å; V163-Y183 HydrophobicContact CG2-CE1 4.5Å
184V92.6Very high92Very high0 Ų032.4 Ų32.40%016%0.162CC..  trans-129.6117.3171.1-178.30000106.7T164 L182 D188 V261 L262 P265 L268 I270T164-V184 WeakPolarHBondContact CB-O 3.49Å; T164-V184 PolarHBondContact OG1-O 2.98Å; L182-V184 HydrophobicContact CD1-CB 4.25Å; L182-V184 HydrophobicContact CD1-CG2 3.94Å; L182-V184 HydrophobicContact CD2-CB 4.02Å; L182-V184 HydrophobicContact CG-CB 3.84Å; L182-V184 HydrophobicContact CG-CG2 4.1Å; L182-V184 PolarHBondContact O-N 3.13Å; V184-D188 WeakPolarHBondContact CA-OD2 3.25Å; V184-D188 HydrophobicContact CG1-CB 4.28Å; V184-V261 HydrophobicContact CG1-CG2 4.24Å; V184-L262 HydrophobicContact CG1-CD2 4.43Å; V184-P265 HydrophobicContact CG2-CB 4.3Å; V184-L268 HydrophobicContact CG1-CD1 3.73Å; V184-L268 HydrophobicContact CG2-CD1 4.36Å; V184-I270 HydrophobicContact CG2-CD1 3.49Å; V184-I270 VanDerWaalsContact CG2-CD1 3.49Å; V184-I270 HydrophobicContact CG2-CG2 4.42Å
185A93.5Very high91.6Very high0 Ų037.4 Ų37.40%018%0.176CC..SBendtrans-150.8-159.4-178.600000110.8G160 R187 D188 I189G160-A185 WeakPolarHBondContact O-CB 3.32Å; A185-R187 VanDerWaalsContact C-N 3.28Å; A185-R187 PolarHBondContact O-N 2.92Å; A185-D188 PolarHBondContact N-OD2 3.17Å; A185-D188 PolarHBondContact O-N 2.89Å; A185-I189 VanDerWaalsContact O-CG1 3.31Å; A185-I189 WeakPolarHBondContact O-CG1 3.45Å; A185-I189 PolarHBondContact O-N 3.36Å; A185-I189 VanDerWaalsContact O-N 3.14Å
186G92Very high91.2Very high1 Ų138.4 Ų38.41%0.0118%0.181CC..Hα-helixtrans-53.9-38.1-173.900000114.8G160 D161 I189 T190 T304G160-G186 PolarHBondContact O-N 2.82Å; D161-G186 PolarHBondContact O-N 3.47Å; G186-I189 WeakPolarHBondContact O-CB 3.43Å; G186-I189 PolarHBondContact O-N 3.14Å; G186-T190 PolarHBondContact O-N 3.07Å; G186-T190 PolarHBondContact O-OG1 3.45Å; G186-T304 WeakPolarHBondContact CA-OG1 3.44Å; G186-T304 PolarHBondContact N-OG1 3.41Å
187R91.1Very high90.7Very high44 Ų4434.7 Ų34.717%0.16616%0.156CC..Hα-helixtrans-66.3-45.1179.4-174.3177.5-60.3-172.40.9112.4S18 D161 A185 I189 T190 E191S18-R187 PolarHBondContact O-NH2 2.86Å; D161-R187 WeakPolarHBondContact O-CB 3.37Å; D161-R187 PolarHBondContact O-N 3.29Å; D161-R187 PolarHBondContact OD1-N 2.92Å; D161-R187 IonicContact OD2-CZ 3.45Å; D161-R187 IonicContact OD2-NE 2.79Å; D161-R187 PolarHBondContact OD2-NE 3.2Å; D161-R187 IonicContact OD2-NH2 2.59Å; D161-R187 PolarHBondContact OD2-NH2 3.48Å; A185-R187 VanDerWaalsContact C-N 3.28Å; A185-R187 PolarHBondContact O-N 2.92Å; R187-I189 VanDerWaalsContact C-N 3.29Å; R187-I189 PolarHBondContact O-N 3.25Å; R187-T190 PolarHBondContact O-N 3.45Å; R187-E191 PolarHBondContact O-N 3.23Å
188D91.8Very high90.2Very high15 Ų1533.5 Ų33.58%0.0815%0.153CC..Hα-helixtrans-67.1-35.2-179.5-52.2-78.4000110.5R77 V184 A185 E191 H192 L268R77-D188 IonicContact CZ-OD1 3.39Å; R77-D188 IonicContact NH1-OD1 2.85Å; R77-D188 PolarHBondContact NH1-OD1 3.39Å; R77-D188 IonicContact NH1-OD2 3.16Å; R77-D188 PolarHBondContact NH1-OD2 3.04Å; R77-D188 IonicContact NH2-OD1 2.74Å; R77-D188 PolarHBondContact NH2-OD1 3.31Å; V184-D188 WeakPolarHBondContact CA-OD2 3.25Å; V184-D188 HydrophobicContact CG1-CB 4.28Å; A185-D188 PolarHBondContact N-OD2 3.17Å; A185-D188 PolarHBondContact O-N 2.89Å; D188-E191 PolarHBondContact O-N 2.99Å; D188-H192 WeakPolarHBondContact O-CB 3.46Å; D188-H192 PolarHBondContact O-N 3.26Å; D188-L268 HydrophobicContact CB-CD1 4.4Å
189I91.4Very high89.6Confident0 Ų037.6 Ų37.60%019%0.187CC..Hα-helixtrans-62.9-48.7172.6-65.5171.3000110.5A185 G186 R187 E191 H192 L193 K217 V258 V261 L262 T304 F307A185-I189 VanDerWaalsContact O-CG1 3.31Å; A185-I189 WeakPolarHBondContact O-CG1 3.45Å; A185-I189 PolarHBondContact O-N 3.36Å; A185-I189 VanDerWaalsContact O-N 3.14Å; G186-I189 WeakPolarHBondContact O-CB 3.43Å; G186-I189 PolarHBondContact O-N 3.14Å; R187-I189 VanDerWaalsContact C-N 3.29Å; R187-I189 PolarHBondContact O-N 3.25Å; I189-E191 VanDerWaalsContact C-N 3.34Å; I189-E191 PolarHBondContact O-N 2.82Å; I189-H192 PolarHBondContact O-N 3.41Å; I189-L193 WeakPolarHBondContact O-CB 3.34Å; I189-L193 PolarHBondContact O-N 2.83Å; I189-K217 HydrophobicContact CB-CD 4.48Å; I189-K217 HydrophobicContact CG2-CD 3.82Å; I189-K217 HydrophobicContact CG2-CG 4.1Å; I189-V258 HydrophobicContact CG2-CG1 3.76Å; I189-V261 HydrophobicContact CD1-CG2 4.48Å; I189-V261 HydrophobicContact CG1-CG2 3.69Å; I189-L262 HydrophobicContact CD1-CD1 3.92Å; I189-L262 HydrophobicContact CD1-CD2 4.04Å; I189-L262 HydrophobicContact CD1-CG 3.89Å; I189-T304 HydrophobicContact CD1-CG2 3.69Å; I189-F307 HydrophobicContact CD1-CE2 3.86Å; I189-F307 HydrophobicContact CD1-CZ 4.46Å; I189-F307 HydrophobicContact CG2-CZ 4.2Å
190T90.5Very high88.8Confident3 Ų341.5 Ų41.52%0.01820%0.203CC..Hα-helixtrans-60.5-42.5177-56.80000111.6G186 R187 L193 T194 K210 V213 D214 K217G186-T190 PolarHBondContact O-N 3.07Å; G186-T190 PolarHBondContact O-OG1 3.45Å; R187-T190 PolarHBondContact O-N 3.45Å; T190-L193 PolarHBondContact O-N 3.05Å; T190-T194 WeakPolarHBondContact O-CB 3.46Å; T190-T194 PolarHBondContact O-N 3.06Å; T190-T194 PolarHBondContact O-OG1 2.87Å; T190-K210 HydrophobicContact CG2-CG 4.15Å; T190-V213 HydrophobicContact CG2-CB 4.18Å; T190-V213 HydrophobicContact CG2-CG1 3.8Å; T190-D214 WeakPolarHBondContact CB-OD1 3.46Å; T190-D214 WeakPolarHBondContact CG2-OD1 3.4Å; T190-D214 PolarHBondContact OG1-OD1 2.85Å; T190-K217 WeakPolarHBondContact OG1-CD 3.23Å; T190-K217 PolarHBondContact OG1-NZ 3.45Å
191E88.9Confident87.8Confident111 Ų11143.2 Ų43.252%0.51922%0.224SC..Hα-helixtrans-65.8-40.9177.4-176.3175.4175.500111.9R187 D188 I189 T194 R195R187-E191 PolarHBondContact O-N 3.23Å; D188-E191 PolarHBondContact O-N 2.99Å; I189-E191 VanDerWaalsContact C-N 3.34Å; I189-E191 PolarHBondContact O-N 2.82Å; E191-T194 PolarHBondContact O-N 2.8Å; E191-R195 WeakPolarHBondContact O-CG 3.28Å; E191-R195 PolarHBondContact O-N 2.92Å
192H87.8Confident86.9Confident30 Ų3043.5 Ų43.514%0.13922%0.224CC..Hα-helixtrans-63.3-46.2174.4-170.668.7000112D188 I189 T194 R195 L196 V258 L268D188-H192 WeakPolarHBondContact O-CB 3.46Å; D188-H192 PolarHBondContact O-N 3.26Å; I189-H192 PolarHBondContact O-N 3.41Å; H192-T194 VanDerWaalsContact C-N 3.3Å; H192-T194 PolarHBondContact O-N 2.92Å; H192-R195 PolarHBondContact O-N 2.9Å; H192-L196 WeakPolarHBondContact O-CG 3.28Å; H192-L196 PolarHBondContact O-N 3.05Å; H192-V258 HydrophobicContact CB-CG1 4.27Å; H192-L268 HydrophobicContact CB-CD2 3.77Å; H192-L268 VanDerWaalsContact ND1-CD2 3.29Å; H192-L268 WeakPolarHBondContact ND1-CD2 3.31Å
193L87.4Confident85.6Confident0 Ų049.3 Ų49.30%026%0.26CS..Hα-helixtrans-59.1-43176179.759.3000111.1I189 T190 R195 L196 L197 V213 I216 K217 M251 L255 V258I189-L193 WeakPolarHBondContact O-CB 3.34Å; I189-L193 PolarHBondContact O-N 2.83Å; T190-L193 PolarHBondContact O-N 3.05Å; L193-R195 PolarHBondContact O-N 2.87Å; L193-L196 PolarHBondContact O-N 3.4Å; L193-L197 HydrophobicContact CD1-CD1 4.2Å; L193-L197 HydrophobicContact CD1-CG 4.22Å; L193-L197 HydrophobicContact CG-CD1 3.99Å; L193-L197 HydrophobicContact CG-CG 4.46Å; L193-L197 VanDerWaalsContact O-CG 3.32Å; L193-L197 WeakPolarHBondContact O-CG 3.02Å; L193-L197 PolarHBondContact O-N 2.9Å; L193-V213 HydrophobicContact CB-CG1 4.06Å; L193-V213 HydrophobicContact CD2-CG1 3.63Å; L193-V213 HydrophobicContact CG-CG1 3.79Å; L193-I216 HydrophobicContact CD2-CG2 4.09Å; L193-K217 HydrophobicContact CD2-CB 3.93Å; L193-M251 HydrophobicContact CD1-CE 4.28Å; L193-L255 HydrophobicContact CD1-CB 4.42Å; L193-L255 HydrophobicContact CD1-CD2 4.22Å; L193-V258 HydrophobicContact CB-CG1 4.2Å; L193-V258 HydrophobicContact CB-CG2 4.43Å; L193-V258 HydrophobicContact CD1-CG2 4Å
194T86.8Confident84.2Confident26 Ų2645.8 Ų45.816%0.1625%0.247CC..Hα-helixtrans-58.1-47.3175.8-560000111.1T190 E191 H192 L196 L197 L198T190-T194 WeakPolarHBondContact O-CB 3.46Å; T190-T194 PolarHBondContact O-N 3.06Å; T190-T194 PolarHBondContact O-OG1 2.87Å; E191-T194 PolarHBondContact O-N 2.8Å; H192-T194 VanDerWaalsContact C-N 3.3Å; H192-T194 PolarHBondContact O-N 2.92Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-L196 PolarHBondContact O-N 3.4Å; T194-L197 PolarHBondContact O-N 2.78Å; T194-L198 HydrophobicContact CG2-CD1 4.13Å; T194-L198 VanDerWaalsContact O-CG 3.31Å; T194-L198 WeakPolarHBondContact O-CG 3.41Å; T194-L198 PolarHBondContact O-N 2.98Å
195R85.9Confident82.3Confident129 Ų12950.9 Ų50.949%0.48728%0.28SS..Hα-helixtrans-60.4-41.5177.5-74.5-174.8-71.9156.8-5.8112.3E191 H192 L193 A199E191-R195 WeakPolarHBondContact O-CG 3.28Å; E191-R195 PolarHBondContact O-N 2.92Å; H192-R195 PolarHBondContact O-N 2.9Å; L193-R195 PolarHBondContact O-N 2.87Å; R195-A199 WeakPolarHBondContact O-CB 3.43Å; R195-A199 PolarHBondContact O-N 2.99Å
196L84.8Confident80.2Confident57 Ų5755.5 Ų55.530%0.29831%0.311SS..Hα-helixtrans-68.1-38.7178.3-67.3176.9000112.7H192 L193 T194 A199 K200 L255 V258H192-L196 WeakPolarHBondContact O-CG 3.28Å; H192-L196 PolarHBondContact O-N 3.05Å; L193-L196 PolarHBondContact O-N 3.4Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-L196 PolarHBondContact O-N 3.4Å; L196-A199 PolarHBondContact O-N 3.44Å; L196-K200 PolarHBondContact O-N 2.66Å; L196-L255 HydrophobicContact CB-CD2 3.58Å; L196-L255 HydrophobicContact CD1-CD2 4.11Å; L196-V258 HydrophobicContact CD1-CG2 3.62Å
197L83.1Confident78.3Confident0 Ų060.2 Ų60.20%034%0.335CS..Hα-helixtrans-65.6-43.1176.2-70.4168.9000111.4L193 T194 A199 K200 Y202 F204 V213 M251 L255L193-L197 HydrophobicContact CD1-CD1 4.2Å; L193-L197 HydrophobicContact CD1-CG 4.22Å; L193-L197 HydrophobicContact CG-CD1 3.99Å; L193-L197 HydrophobicContact CG-CG 4.46Å; L193-L197 VanDerWaalsContact O-CG 3.32Å; L193-L197 WeakPolarHBondContact O-CG 3.02Å; L193-L197 PolarHBondContact O-N 2.9Å; T194-L197 PolarHBondContact O-N 2.78Å; L197-A199 VanDerWaalsContact C-N 3.35Å; L197-A199 PolarHBondContact O-N 3.23Å; L197-K200 PolarHBondContact O-N 3.33Å; L197-Y202 HydrophobicContact CD2-CD2 4.03Å; L197-Y202 HydrophobicContact CD2-CE2 4.5Å; L197-Y202 PolarHBondContact O-N 3.21Å; L197-F204 HydrophobicContact CB-CE2 3.92Å; L197-F204 HydrophobicContact CB-CZ 4.38Å; L197-F204 HydrophobicContact CD1-CE2 4.14Å; L197-F204 HydrophobicContact CD1-CZ 4.06Å; L197-V213 HydrophobicContact CD1-CG1 4.47Å; L197-V213 HydrophobicContact CD1-CG2 4.09Å; L197-M251 HydrophobicContact CD2-SD 4.02Å; L197-L255 HydrophobicContact CD2-CD1 3.88Å; L197-L255 HydrophobicContact CD2-CD2 4.49Å
198L83.3Confident76.5Confident88 Ų8862.7 Ų62.746%0.46135%0.351SS..Hα-helixtrans-61.2-42174.4-70.9171.6000111.9T194 K200 G201T194-L198 HydrophobicContact CG2-CD1 4.13Å; T194-L198 VanDerWaalsContact O-CG 3.31Å; T194-L198 WeakPolarHBondContact O-CG 3.41Å; T194-L198 PolarHBondContact O-N 2.98Å; L198-K200 PolarHBondContact O-N 3.43Å; L198-G201 PolarHBondContact O-N 3.05Å
199A82.7Confident75Confident87 Ų8763.6 Ų63.672%0.71936%0.356SS*.Hα-helixtrans-63-27.2178.200000113.3R195 L196 L197 G201R195-A199 WeakPolarHBondContact O-CB 3.43Å; R195-A199 PolarHBondContact O-N 2.99Å; L196-A199 PolarHBondContact O-N 3.44Å; L197-A199 VanDerWaalsContact C-N 3.35Å; L197-A199 PolarHBondContact O-N 3.23Å; A199-G201 VanDerWaalsContact C-N 3.27Å
200K78.2Confident74Confident97 Ų9767 Ų6742%0.42237%0.371SS..THydrogen-bonded Turntrans-81-3.1173.7-74.4-168.5176-168.60114.4L196 L197 L198 Y202 S252 L255L196-K200 PolarHBondContact O-N 2.66Å; L197-K200 PolarHBondContact O-N 3.33Å; L198-K200 PolarHBondContact O-N 3.43Å; K200-Y202 HydrophobicContact CB-CD2 3.91Å; K200-Y202 HydrophobicContact CB-CE2 4.05Å; K200-Y202 HydrophobicContact CD-CE2 4.24Å; K200-S252 PolarHBondContact NZ-OG 3.5Å; K200-L255 HydrophobicContact CD-CD1 4.05Å
201G74.1Confident73.4Confident54 Ų5469.9 Ų69.956%0.55740%0.395SS*.THydrogen-bonded Turntrans87.48.9-179.800000114.3L198 A199 T203L198-G201 PolarHBondContact O-N 3.05Å; A199-G201 VanDerWaalsContact C-N 3.27Å; G201-T203 PolarHBondContact O-N 3.35Å; G201-T203 VanDerWaalsContact O-N 3.11Å
202Y73.9Confident73.1Confident67 Ų6765.3 Ų65.326%0.26337%0.374SS..  trans-72.3106.4168.3-63.7-66.5000108.3L197 K200 I249 Q250L197-Y202 HydrophobicContact CD2-CD2 4.03Å; L197-Y202 HydrophobicContact CD2-CE2 4.5Å; L197-Y202 PolarHBondContact O-N 3.21Å; K200-Y202 HydrophobicContact CB-CD2 3.91Å; K200-Y202 HydrophobicContact CB-CE2 4.05Å; K200-Y202 HydrophobicContact CD-CE2 4.24Å; Y202-I249 HydrophobicContact CD1-CG1 4.16Å; Y202-I249 HydrophobicContact CD2-CG2 4.43Å; Y202-I249 HydrophobicContact CE1-CB 4.41Å; Y202-I249 HydrophobicContact CE1-CG1 4.12Å; Y202-I249 HydrophobicContact CE1-CG2 4.07Å; Y202-I249 HydrophobicContact CE2-CG2 3.92Å; Y202-Q250 PolarHBondContact OH-N 2.72Å; Y202-Q250 PolarHBondContact OH-O 3.02Å
203T65.1Low72.9Confident123 Ų12363.9 Ų63.976%0.75537%0.368SS*.  trans-98.5114.2175.2510000108.5G201G201-T203 PolarHBondContact O-N 3.35Å; G201-T203 VanDerWaalsContact O-N 3.11Å
204F63.2Low72.9Confident30 Ų3065.4 Ų65.413%0.13238%0.376CS..  trans-93.7123.7174.4-58.1-81.6000108.2L197 C206 N209 L243 I249L197-F204 HydrophobicContact CB-CE2 3.92Å; L197-F204 HydrophobicContact CB-CZ 4.38Å; L197-F204 HydrophobicContact CD1-CE2 4.14Å; L197-F204 HydrophobicContact CD1-CZ 4.06Å; F204-C206 PolarHBondContact O-N 2.98Å; F204-N209 WeakPolarHBondContact CB-OD1 3.34Å; F204-N209 WeakPolarHBondContact CD2-OD1 3.15Å; F204-N209 WeakPolarHBondContact CG-OD1 3.46Å; F204-L243 HydrophobicContact CD1-CD2 4.34Å; F204-L243 HydrophobicContact CE1-CD1 4.23Å; F204-L243 HydrophobicContact CE1-CD2 3.81Å; F204-I249 HydrophobicContact CE1-CD1 3.69Å; F204-I249 HydrophobicContact CZ-CD1 3.76Å
205P52.7Low72.9Confident107 Ų10766.3 Ų66.370%0.69538%0.38SS*.  trans-59.6132.4171.323.2-29.1000109
206C50.2Low72.9Confident96 Ų9660.2 Ų60.265%0.64936%0.357SS*.THydrogen-bonded Turntrans-18.2127-169.6-84.90000117.8F204 L208F204-C206 PolarHBondContact O-N 2.98Å; C206-L208 VanDerWaalsContact C-N 3.28Å; C206-L208 PolarHBondContact O-N 3.39Å
207I51.8Low73.1Confident101 Ų10158.1 Ų58.152%0.51835%0.345SS..THydrogen-bonded Turntrans74.6-18.1148.4-52.5158.1000117.3Y66 N209Y66-I207 HydrophobicContact CD2-CB 3.83Å; Y66-I207 HydrophobicContact CD2-CD1 3.99Å; Y66-I207 HydrophobicContact CD2-CG2 3.48Å; Y66-I207 VanDerWaalsContact CD2-CG2 3.48Å; Y66-I207 HydrophobicContact CE2-CB 3.65Å; Y66-I207 HydrophobicContact CE2-CD1 3.89Å; Y66-I207 HydrophobicContact CE2-CG1 4.37Å; Y66-I207 HydrophobicContact CE2-CG2 3.86Å; Y66-I207 HydrophobicContact CG-CG2 4.01Å; I207-N209 PolarHBondContact O-N 3.2Å
208L51.8Low73.3Confident95 Ų9564.6 Ų64.650%0.49738%0.376SS..THydrogen-bonded Turntrans-62.6-7.8157.6-122.889.7000112.5C206 K210 V212 P244C206-L208 VanDerWaalsContact C-N 3.28Å; C206-L208 PolarHBondContact O-N 3.39Å; L208-K210 PolarHBondContact O-N 3.2Å; L208-V212 HydrophobicContact CD2-CG2 4.03Å; L208-V212 HydrophobicContact CG-CG2 4.43Å; L208-V212 VanDerWaalsContact O-CB 3.31Å; L208-V212 WeakPolarHBondContact O-CB 3.33Å; L208-V212 WeakPolarHBondContact O-CG2 3.23Å; L208-V212 PolarHBondContact O-N 3.3Å; L208-P244 HydrophobicContact CD2-CG 4.39Å
209N61.6Low73.4Confident35 Ų3567 Ų6719%0.18738%0.382CS..Hα-helixtrans-49.5-51.2178.7-90.1-40.1000114.7F204 I207 V213F204-N209 WeakPolarHBondContact CB-OD1 3.34Å; F204-N209 WeakPolarHBondContact CD2-OD1 3.15Å; F204-N209 WeakPolarHBondContact CG-OD1 3.46Å; I207-N209 PolarHBondContact O-N 3.2Å; N209-V213 WeakPolarHBondContact O-CB 3.21Å; N209-V213 WeakPolarHBondContact O-CG2 3.44Å; N209-V213 PolarHBondContact O-N 2.85Å
210K71.1Confident73.5Confident71 Ų7164 Ų6431%0.30935%0.354SS..Hα-helixtrans-73.2-48.8-165.4-166.7175.9175.5-1760112.2T190 L208 V212 V213 D214T190-K210 HydrophobicContact CG2-CG 4.15Å; L208-K210 PolarHBondContact O-N 3.2Å; K210-V212 PolarHBondContact O-N 3Å; K210-V213 PolarHBondContact O-N 3.18Å; K210-D214 VanDerWaalsContact O-CB 3.29Å; K210-D214 WeakPolarHBondContact O-CB 3.22Å; K210-D214 VanDerWaalsContact O-CG 3.23Å; K210-D214 PolarHBondContact O-N 2.84Å
211A77.9Confident73.9Confident63 Ų6359.5 Ų59.552%0.52134%0.335SS..Hα-helixtrans-64.6-39.3178.700000112.2D214 D215A211-D214 PolarHBondContact O-N 2.87Å; A211-D215 PolarHBondContact O-N 3.37Å
212V81.2Confident74.4Confident15 Ų1559.1 Ų59.19%0.09132%0.324CS..Hα-helixtrans-68-43.3175.8174.80000111.1L208 K210 D214 D215 I216 Y241 L243 P244L208-V212 HydrophobicContact CD2-CG2 4.03Å; L208-V212 HydrophobicContact CG-CG2 4.43Å; L208-V212 VanDerWaalsContact O-CB 3.31Å; L208-V212 WeakPolarHBondContact O-CB 3.33Å; L208-V212 WeakPolarHBondContact O-CG2 3.23Å; L208-V212 PolarHBondContact O-N 3.3Å; K210-V212 PolarHBondContact O-N 3Å; V212-D214 VanDerWaalsContact C-N 3.3Å; V212-D214 PolarHBondContact O-N 3.28Å; V212-D215 PolarHBondContact O-N 3.33Å; V212-I216 HydrophobicContact CG1-CD1 3.96Å; V212-I216 HydrophobicContact CG1-CG1 4.45Å; V212-I216 WeakPolarHBondContact O-CB 3.37Å; V212-I216 VanDerWaalsContact O-CG1 3.23Å; V212-I216 WeakPolarHBondContact O-CG1 3.39Å; V212-I216 PolarHBondContact O-N 2.88Å; V212-Y241 HydrophobicContact CG1-CE1 4.32Å; V212-L243 HydrophobicContact CG1-CD2 3.58Å; V212-P244 HydrophobicContact CG2-CG 4.08Å
213V84.9Confident75Confident0 Ų056.4 Ų56.40%031%0.314CS..Hα-helixtrans-67.6-33.6177177.20000111.1T190 L193 L197 N209 K210 I216 K217T190-V213 HydrophobicContact CG2-CB 4.18Å; T190-V213 HydrophobicContact CG2-CG1 3.8Å; L193-V213 HydrophobicContact CB-CG1 4.06Å; L193-V213 HydrophobicContact CD2-CG1 3.63Å; L193-V213 HydrophobicContact CG-CG1 3.79Å; L197-V213 HydrophobicContact CD1-CG1 4.47Å; L197-V213 HydrophobicContact CD1-CG2 4.09Å; N209-V213 WeakPolarHBondContact O-CB 3.21Å; N209-V213 WeakPolarHBondContact O-CG2 3.44Å; N209-V213 PolarHBondContact O-N 2.85Å; K210-V213 PolarHBondContact O-N 3.18Å; V213-I216 PolarHBondContact O-N 3.02Å; V213-K217 VanDerWaalsContact O-CB 3.22Å; V213-K217 WeakPolarHBondContact O-CB 3.45Å; V213-K217 PolarHBondContact O-N 3.06Å
214D86.2Confident75.5Confident32 Ų3251.7 Ų51.717%0.17129%0.286CS..Hα-helixtrans-64-43.2171.4-77.5-36.2000111.3T190 K210 A211 V212 K217 E218T190-D214 WeakPolarHBondContact CB-OD1 3.46Å; T190-D214 WeakPolarHBondContact CG2-OD1 3.4Å; T190-D214 PolarHBondContact OG1-OD1 2.85Å; K210-D214 VanDerWaalsContact O-CB 3.29Å; K210-D214 WeakPolarHBondContact O-CB 3.22Å; K210-D214 VanDerWaalsContact O-CG 3.23Å; K210-D214 PolarHBondContact O-N 2.84Å; A211-D214 PolarHBondContact O-N 2.87Å; V212-D214 VanDerWaalsContact C-N 3.3Å; V212-D214 PolarHBondContact O-N 3.28Å; D214-K217 WeakPolarHBondContact O-CB 3.45Å; D214-K217 PolarHBondContact O-N 3.49Å; D214-K217 IonicContact OD1-NZ 3.35Å; D214-K217 PolarHBondContact OD1-NZ 3.43Å; D214-E218 WeakPolarHBondContact O-CG 3.14Å; D214-E218 PolarHBondContact O-N 3.14Å
215D86.7Confident75.5Confident46 Ų4655.3 Ų55.325%0.24630%0.299CS..Hα-helixtrans-64.5-41.5174.6-173.567000112.3A211 V212 K217 E218 K219 Y241A211-D215 PolarHBondContact O-N 3.37Å; V212-D215 PolarHBondContact O-N 3.33Å; D215-K217 VanDerWaalsContact C-N 3.34Å; D215-E218 PolarHBondContact O-N 3.05Å; D215-K219 WeakPolarHBondContact O-CB 3.25Å; D215-K219 WeakPolarHBondContact O-CG 3.3Å; D215-K219 PolarHBondContact O-N 3.41Å; D215-K219 WeakPolarHBondContact OD1-CE 3.05Å; D215-K219 IonicContact OD1-NZ 3.29Å; D215-K219 PolarHBondContact OD1-NZ 2.74Å; D215-K219 IonicContact OD2-NZ 2.99Å; D215-K219 PolarHBondContact OD2-NZ 3.28Å; D215-Y241 VanDerWaalsContact OD2-CE2 3.31Å; D215-Y241 WeakPolarHBondContact OD2-CE2 3.47Å; D215-Y241 PolarHBondContact OD2-OH 3.33Å
216I86Confident75.7Confident0 Ų051.4 Ų51.40%028%0.278CS..Hα-helixtrans-59.8-46.5172.9-70.8169.7000110L193 V212 V213 L220 Y241 I249 M251L193-I216 HydrophobicContact CD2-CG2 4.09Å; V212-I216 HydrophobicContact CG1-CD1 3.96Å; V212-I216 HydrophobicContact CG1-CG1 4.45Å; V212-I216 WeakPolarHBondContact O-CB 3.37Å; V212-I216 VanDerWaalsContact O-CG1 3.23Å; V212-I216 WeakPolarHBondContact O-CG1 3.39Å; V212-I216 PolarHBondContact O-N 2.88Å; V213-I216 PolarHBondContact O-N 3.02Å; I216-L220 HydrophobicContact CG2-CD1 3.84Å; I216-L220 VanDerWaalsContact O-CB 3.24Å; I216-L220 WeakPolarHBondContact O-CB 3.28Å; I216-L220 WeakPolarHBondContact O-CG 3.42Å; I216-L220 PolarHBondContact O-N 2.93Å; I216-Y241 HydrophobicContact CD1-CD1 4Å; I216-Y241 HydrophobicContact CD1-CE1 3.9Å; I216-Y241 HydrophobicContact CG1-CD1 3.71Å; I216-Y241 HydrophobicContact CG1-CD2 4.13Å; I216-Y241 HydrophobicContact CG1-CE1 3.51Å; I216-Y241 HydrophobicContact CG1-CE2 3.95Å; I216-Y241 HydrophobicContact CG1-CG 4.01Å; I216-I249 HydrophobicContact CD1-CD1 4.37Å; I216-M251 HydrophobicContact CG2-CE 3.61Å; I216-M251 HydrophobicContact CG2-SD 4.41Å
217K88.9Confident75.7Confident14 Ų1455.8 Ų55.86%0.06129%0.289CS..Hα-helixtrans-59.1-50.2178.8175.4-16676.4-163.50110.6I189 T190 L193 V213 D214 D215 C221 F307I189-K217 HydrophobicContact CB-CD 4.48Å; I189-K217 HydrophobicContact CG2-CD 3.82Å; I189-K217 HydrophobicContact CG2-CG 4.1Å; T190-K217 WeakPolarHBondContact OG1-CD 3.23Å; T190-K217 PolarHBondContact OG1-NZ 3.45Å; L193-K217 HydrophobicContact CD2-CB 3.93Å; V213-K217 VanDerWaalsContact O-CB 3.22Å; V213-K217 WeakPolarHBondContact O-CB 3.45Å; V213-K217 PolarHBondContact O-N 3.06Å; D214-K217 WeakPolarHBondContact O-CB 3.45Å; D214-K217 PolarHBondContact O-N 3.49Å; D214-K217 IonicContact OD1-NZ 3.35Å; D214-K217 PolarHBondContact OD1-NZ 3.43Å; D215-K217 VanDerWaalsContact C-N 3.34Å; K217-C221 VanDerWaalsContact O-CB 3.22Å; K217-C221 WeakPolarHBondContact O-CB 3.5Å; K217-C221 PolarHBondContact O-N 3.47Å; K217-C221 VanDerWaalsContact O-N 3.17Å; K217-F307 HydrophobicContact CD-CZ 4.01Å; K217-F307 HydrophobicContact CG-CE1 3.82Å; K217-F307 HydrophobicContact CG-CZ 3.64Å
218E87.9Confident75.3Confident136 Ų13659.7 Ų59.764%0.63631%0.305SS*.Hα-helixtrans-68-36.4-176.5-71.9177.4-16600112.9D214 D215D214-E218 WeakPolarHBondContact O-CG 3.14Å; D214-E218 PolarHBondContact O-N 3.14Å; D215-E218 PolarHBondContact O-N 3.05Å
219K85.9Confident75Confident137 Ų13759 Ų5960%0.59630%0.302SS*.Hα-helixtrans-84.9-33.5-177.7-72.2173.9178.31590114.4D215 Y241D215-K219 WeakPolarHBondContact O-CB 3.25Å; D215-K219 WeakPolarHBondContact O-CG 3.3Å; D215-K219 PolarHBondContact O-N 3.41Å; D215-K219 WeakPolarHBondContact OD1-CE 3.05Å; D215-K219 IonicContact OD1-NZ 3.29Å; D215-K219 PolarHBondContact OD1-NZ 2.74Å; D215-K219 IonicContact OD2-NZ 2.99Å; D215-K219 PolarHBondContact OD2-NZ 3.28Å; K219-Y241 HydrophobicContact CD-CE2 4.25Å
220L84Confident74.3Confident25 Ų2559 Ų5913%0.13130%0.303CS..Hα-helixtrans-115.2-25.2-165.2-51.6177.5000114I216 T239 Y241 M251I216-L220 HydrophobicContact CG2-CD1 3.84Å; I216-L220 VanDerWaalsContact O-CB 3.24Å; I216-L220 WeakPolarHBondContact O-CB 3.28Å; I216-L220 WeakPolarHBondContact O-CG 3.42Å; I216-L220 PolarHBondContact O-N 2.93Å; L220-T239 HydrophobicContact CD2-CG2 3.61Å; L220-Y241 HydrophobicContact CD1-CD2 3.89Å; L220-Y241 HydrophobicContact CD1-CG 4Å; L220-Y241 HydrophobicContact CG-CD2 4.42Å; L220-M251 HydrophobicContact CD1-CE 4.31Å; L220-M251 HydrophobicContact CD1-CG 3.64Å
221C86.6Confident73Confident2 Ų266.5 Ų66.51%0.01433%0.33CS..  trans-80.5142.8-178.5-64.30000111.6K217 L255 C256 P259 F307K217-C221 VanDerWaalsContact O-CB 3.22Å; K217-C221 WeakPolarHBondContact O-CB 3.5Å; K217-C221 PolarHBondContact O-N 3.47Å; K217-C221 VanDerWaalsContact O-N 3.17Å; C221-L255 PolarHBondContact SG-O 2.97Å; C221-C256 VanDerWaalsContact CA-O 3.31Å; C221-C256 WeakPolarHBondContact CA-O 3.11Å; C221-C256 WeakPolarHBondContact CB-O 3.34Å; C221-P259 HydrophobicContact CB-CG 3.68Å; C221-F307 HydrophobicContact CB-CD1 4.15Å; C221-F307 HydrophobicContact CB-CE1 3.77Å
222S85.8Confident71.3Confident47 Ų4772 Ų7233%0.32934%0.342SS..  trans-146.5155.6177.559.70000110.2C256S222-C256 PolarHBondContact N-O 3.31Å
223V84.7Confident69.4Low9 Ų976.9 Ų76.96%0.05537%0.367CS..  trans-90.2132174.6176.10000108.4P259 F263 F307 P308 L310 R313V223-P259 HydrophobicContact CG2-CB 3.74Å; V223-F263 HydrophobicContact CG1-CD2 4.35Å; V223-F263 HydrophobicContact CG1-CE2 3.67Å; V223-F263 HydrophobicContact CG1-CZ 4.28Å; V223-F263 HydrophobicContact CG2-CE2 4.24Å; V223-F307 HydrophobicContact CG2-CB 4.08Å; V223-P308 PolarHBondContact N-O 3.21Å; V223-L310 HydrophobicContact CB-CB 4.41Å; V223-L310 HydrophobicContact CG2-CB 3.95Å; V223-L310 HydrophobicContact CG2-CD1 4.3Å; V223-L310 HydrophobicContact CG2-CG 4.39Å; V223-R313 HydrophobicContact CG1-CB 3.71Å; V223-R313 HydrophobicContact CG1-CG 3.73Å
224S77.3Confident67.4Low25 Ų2581.1 Ų81.118%0.17540%0.396CS..  trans-86.8153.1-177.970.50000112.1G226 E260 R313S224-G226 PolarHBondContact O-N 3.44Å; S224-E260 PolarHBondContact N-OE1 2.9Å; S224-E260 PolarHBondContact OG-OE1 2.72Å; S224-R313 PolarHBondContact O-NH1 2.79Å
225W62.7Low65.2Low106 Ų10688.6 Ų88.640%0.40243%0.43SS..SBendtrans-75.33.5-173.9-166.8-113.5000115.4D229 D312 R316W225-D229 VanDerWaalsContact CD1-OD2 3.28Å; W225-D312 HydrophobicContact CE3-CB 3.9Å; W225-D312 HydrophobicContact CH2-CB 3.67Å; W225-D312 HydrophobicContact CZ3-CB 3.02Å; W225-R316 VanDerWaalsContact CD1-NH1 3.26Å
226G57.1Low63.2Low25 Ų2594.7 Ų94.726%0.25846%0.457SS..  trans124.3171.1-177.700000113.2S224 E228 T230S224-G226 PolarHBondContact O-N 3.44Å; G226-E228 VanDerWaalsContact C-N 3.32Å; G226-E228 PolarHBondContact O-N 3.42Å; G226-T230 PolarHBondContact O-OG1 2.86Å
227Q49.2Very low61.3Low188 Ų18898.7 Ų98.788%0.87949%0.49SS*.SBendtrans-72.9-9.1-172.5-74.8-173.2-5.500115.6T230Q227-T230 VanDerWaalsContact CA-OG1 3.31Å; Q227-T230 WeakPolarHBondContact CA-OG1 3.31Å; Q227-T230 WeakPolarHBondContact O-CB 3.16Å; Q227-T230 PolarHBondContact O-OG1 3.24Å
228E44.8Very low59.8Low183 Ų183103.3 Ų103.386%0.85552%0.515SS*.SBendtrans-96.5-31.4-174.1-68.8-167.4155.300115G226 T230G226-E228 VanDerWaalsContact C-N 3.32Å; G226-E228 PolarHBondContact O-N 3.42Å; E228-T230 PolarHBondContact O-N 3.4Å
229D45.6Very low58.8Low80 Ų8099.7 Ų99.743%0.42850%0.502SS..G310 helixtrans-72.4-7.3171.8-81.5-34.1000112.9W225 R231 K232 N233W225-D229 VanDerWaalsContact CD1-OD2 3.28Å; D229-R231 PolarHBondContact O-N 2.89Å; D229-R231 VanDerWaalsContact O-N 3.15Å; D229-K232 PolarHBondContact O-N 3.44Å; D229-K232 VanDerWaalsContact O-N 3.15Å; D229-N233 PolarHBondContact O-N 3.46Å
230T46.2Very low58.4Low34 Ų3499.1 Ų99.121%0.20950%0.501CS..G310 helixtrans-57.8-29.5-177.2-32.70000114.1G226 Q227 E228 C234G226-T230 PolarHBondContact O-OG1 2.86Å; Q227-T230 VanDerWaalsContact CA-OG1 3.31Å; Q227-T230 WeakPolarHBondContact CA-OG1 3.31Å; Q227-T230 WeakPolarHBondContact O-CB 3.16Å; Q227-T230 PolarHBondContact O-OG1 3.24Å; E228-T230 PolarHBondContact O-N 3.4Å; T230-C234 PolarHBondContact O-SG 3.02Å
231R43.6Very low58.1Low230 Ų23099.1 Ų99.187%0.86850%0.5SS*.G310 helixtrans-87.8-21.6-178.9-71-177.7179179.31113.6D229D229-R231 PolarHBondContact O-N 2.89Å; D229-R231 VanDerWaalsContact O-N 3.15Å
232K41.7Very low57.8Low178 Ų178105.6 Ų105.677%0.77453%0.53SS*.THydrogen-bonded Turntrans-91.2-27.4-175.1-73.1-176.9178.6174.80113.1D229D229-K232 PolarHBondContact O-N 3.44Å; D229-K232 VanDerWaalsContact O-N 3.15Å
233N42.3Very low57.5Low118 Ų118104.2 Ų104.263%0.63152%0.519SS*.SBendtrans-94.10.2176-75.4-5.5000114.6D229 Q235 Q236D229-N233 PolarHBondContact O-N 3.46Å; N233-Q235 PolarHBondContact O-N 2.94Å; N233-Q236 PolarHBondContact O-N 3.18Å
234C41.4Very low57.1Low88 Ų88108.4 Ų108.460%0.59555%0.546SS*.THydrogen-bonded Turntrans-59.4-4.3179.6-92.60000115.9T230T230-C234 PolarHBondContact O-SG 3.02Å
235Q40.4Very low56.9Low189 Ų189111.7 Ų111.788%0.88356%0.562SS**THydrogen-bonded Turntrans-108.80.3-178.2-74.3-171.8-21.900115.5N233N233-Q235 PolarHBondContact O-N 2.94Å
236Q44.6Very low57.4Low174 Ų174108.5 Ų108.581%0.81356%0.562SS**SBendtrans-147.3119.7-178-66.4175.1-12.600108.4N233N233-Q236 PolarHBondContact O-N 3.18Å
237A47.6Very low58.4Low84 Ų84112 Ų11269%0.69458%0.575SS**  cis-146.9141.99.600000107.7T239A237-T239 PolarHBondContact O-N 3.3Å
238L56Low59.9Low112 Ų112106.8 Ų106.859%0.58656%0.555SS**  trans-65.1106.6162.6-78.2156.5000106.5E240 Q250L238-E240 PolarHBondContact O-N 3.48Å; L238-Q250 HydrophobicContact CD2-CB 4.46Å
239T67.1Low61.4Low60 Ų6098.1 Ų98.137%0.36852%0.515SS..EExtended strand (participates in β ladder)trans-81.2118.7175.3-39.80000107.8L220 A237 M251L220-T239 HydrophobicContact CD2-CG2 3.61Å; A237-T239 PolarHBondContact O-N 3.3Å; T239-M251 WeakPolarHBondContact O-CB 3.36Å; T239-M251 PolarHBondContact O-N 3Å; T239-M251 VanDerWaalsContact O-N 3.1Å
240E77.1Confident62.9Low125 Ų12598.8 Ų98.858%0.58452%0.515SS*.EExtended strand (participates in β ladder)trans-85.5133.3175.6-67.7-173.7166.800109.3L238 V248 Q250L238-E240 PolarHBondContact O-N 3.48Å; E240-V248 HydrophobicContact CB-CG1 3.7Å; E240-V248 HydrophobicContact CG-CG1 4.02Å; E240-Q250 HydrophobicContact CG-CG 4.43Å; E240-Q250 PolarHBondContact OE1-NE2 3.19Å
241Y79.3Confident64Low25 Ų2597.3 Ų97.310%0.09851%0.506CS..EExtended strand (participates in β ladder)trans-121124.7174179.4-89000109.5V212 D215 I216 K219 L220 L243 V248 I249V212-Y241 HydrophobicContact CG1-CE1 4.32Å; D215-Y241 VanDerWaalsContact OD2-CE2 3.31Å; D215-Y241 WeakPolarHBondContact OD2-CE2 3.47Å; D215-Y241 PolarHBondContact OD2-OH 3.33Å; I216-Y241 HydrophobicContact CD1-CD1 4Å; I216-Y241 HydrophobicContact CD1-CE1 3.9Å; I216-Y241 HydrophobicContact CG1-CD1 3.71Å; I216-Y241 HydrophobicContact CG1-CD2 4.13Å; I216-Y241 HydrophobicContact CG1-CE1 3.51Å; I216-Y241 HydrophobicContact CG1-CE2 3.95Å; I216-Y241 HydrophobicContact CG1-CG 4.01Å; K219-Y241 HydrophobicContact CD-CE2 4.25Å; L220-Y241 HydrophobicContact CD1-CD2 3.89Å; L220-Y241 HydrophobicContact CD1-CG 4Å; L220-Y241 HydrophobicContact CG-CD2 4.42Å; Y241-L243 HydrophobicContact CD1-CD2 4.4Å; Y241-L243 HydrophobicContact CE1-CD2 4.07Å; Y241-V248 WeakPolarHBondContact O-CA 3.48Å; Y241-I249 PolarHBondContact N-O 3.22Å; Y241-I249 PolarHBondContact O-N 3.02Å
242Q80.3Confident65.2Low138 Ų13887.6 Ų87.665%0.64547%0.473SS*.EExtended strand (participates in β ladder)trans-88.5117.5177-170.7-179.8-6.600109.5
243L79.6Confident66.5Low18 Ų1882.5 Ų82.59%0.09445%0.454CS..  trans-68.5158.8172.8-72.6167.7000111.2F204 V212 Y241 D245 G246 N247 I249F204-L243 HydrophobicContact CD1-CD2 4.34Å; F204-L243 HydrophobicContact CE1-CD1 4.23Å; F204-L243 HydrophobicContact CE1-CD2 3.81Å; V212-L243 HydrophobicContact CG1-CD2 3.58Å; Y241-L243 HydrophobicContact CD1-CD2 4.4Å; Y241-L243 HydrophobicContact CE1-CD2 4.07Å; L243-D245 WeakPolarHBondContact CB-OD1 3.5Å; L243-D245 PolarHBondContact O-N 2.96Å; L243-D245 VanDerWaalsContact O-N 3.1Å; L243-G246 PolarHBondContact O-N 3.46Å; L243-N247 HydrophobicContact CB-CB 4.47Å; L243-N247 WeakPolarHBondContact CB-O 3.31Å; L243-N247 HydrophobicContact CD1-CB 3.89Å; L243-N247 PolarHBondContact N-O 2.83Å; L243-I249 HydrophobicContact CD1-CD1 3.72Å; L243-I249 HydrophobicContact CD1-CG1 3.83Å; L243-I249 HydrophobicContact CD2-CD1 3.83Å; L243-I249 HydrophobicContact CG-CD1 3.82Å; L243-I249 HydrophobicContact CG-CG1 4.05Å
244P75.6Confident67.6Low96 Ų9684 Ų8462%0.62346%0.457SS*.THydrogen-bonded Turntrans-58.4-22.9176.6-25.434.7000114.7L208 V212 G246L208-P244 HydrophobicContact CD2-CG 4.39Å; V212-P244 HydrophobicContact CG2-CG 4.08Å; P244-G246 VanDerWaalsContact C-N 3.28Å
245D72.3Confident68.8Low95 Ų9580 Ų8051%0.50843%0.43SS..THydrogen-bonded Turntrans-82.2-4.5175.965-3.1000113.3L243 N247L243-D245 WeakPolarHBondContact CB-OD1 3.5Å; L243-D245 PolarHBondContact O-N 2.96Å; L243-D245 VanDerWaalsContact O-N 3.1Å; D245-N247 WeakPolarHBondContact OD1-CB 3.34Å; D245-N247 PolarHBondContact OD1-N 3.01Å; D245-N247 PolarHBondContact OD2-ND2 3.34Å
246G73.8Confident70.2Confident39 Ų3971.6 Ų71.640%0.40239%0.392SS..SBendtrans89.9-3.4-177.300000114.8L243 P244L243-G246 PolarHBondContact O-N 3.46Å; P244-G246 VanDerWaalsContact C-N 3.28Å
247N78.6Confident71.6Confident99 Ų9966.1 Ų66.153%0.52936%0.364SS..PPolyproline II helixtrans-73.4141.5176-72.2-39.2000111L243 D245L243-N247 HydrophobicContact CB-CB 4.47Å; L243-N247 WeakPolarHBondContact CB-O 3.31Å; L243-N247 HydrophobicContact CD1-CB 3.89Å; L243-N247 PolarHBondContact N-O 2.83Å; D245-N247 WeakPolarHBondContact OD1-CB 3.34Å; D245-N247 PolarHBondContact OD1-N 3.01Å; D245-N247 PolarHBondContact OD2-ND2 3.34Å
248V79.8Confident73.4Confident77 Ų7762.3 Ų62.347%0.46733%0.332SS..EExtended strand (participates in β ladder)trans-102.1123.2179.5-178.40000109.9E240 Y241E240-V248 HydrophobicContact CB-CG1 3.7Å; E240-V248 HydrophobicContact CG-CG1 4.02Å; Y241-V248 WeakPolarHBondContact O-CA 3.48Å
249I77.3Confident74.9Confident2 Ų257 Ų571%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-93.2128.7171.9-64.2179.9000108.6Y202 F204 I216 Y241 L243 M251Y202-I249 HydrophobicContact CD1-CG1 4.16Å; Y202-I249 HydrophobicContact CD2-CG2 4.43Å; Y202-I249 HydrophobicContact CE1-CB 4.41Å; Y202-I249 HydrophobicContact CE1-CG1 4.12Å; Y202-I249 HydrophobicContact CE1-CG2 4.07Å; Y202-I249 HydrophobicContact CE2-CG2 3.92Å; F204-I249 HydrophobicContact CE1-CD1 3.69Å; F204-I249 HydrophobicContact CZ-CD1 3.76Å; I216-I249 HydrophobicContact CD1-CD1 4.37Å; Y241-I249 PolarHBondContact N-O 3.22Å; Y241-I249 PolarHBondContact O-N 3.02Å; L243-I249 HydrophobicContact CD1-CD1 3.72Å; L243-I249 HydrophobicContact CD1-CG1 3.83Å; L243-I249 HydrophobicContact CD2-CD1 3.83Å; L243-I249 HydrophobicContact CG-CD1 3.82Å; L243-I249 HydrophobicContact CG-CG1 4.05Å; I249-M251 HydrophobicContact CG2-CG 4.21Å; I249-M251 HydrophobicContact CG2-SD 3.71Å
250Q75.8Confident75.9Confident94 Ų9455.4 Ų55.444%0.43929%0.293SS..EExtended strand (participates in β ladder)trans-90.5112.6169.3-70.3-168-22.800110Y202 L238 E240Y202-Q250 PolarHBondContact OH-N 2.72Å; Y202-Q250 PolarHBondContact OH-O 3.02Å; L238-Q250 HydrophobicContact CD2-CB 4.46Å; E240-Q250 HydrophobicContact CG-CG 4.43Å; E240-Q250 PolarHBondContact OE1-NE2 3.19Å
251M71.1Confident76.5Confident2 Ų249.5 Ų49.51%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-87.6123.6178.4-64-66.3-82.100109.9L193 L197 I216 L220 T239 I249 L255L193-M251 HydrophobicContact CD1-CE 4.28Å; L197-M251 HydrophobicContact CD2-SD 4.02Å; I216-M251 HydrophobicContact CG2-CE 3.61Å; I216-M251 HydrophobicContact CG2-SD 4.41Å; L220-M251 HydrophobicContact CD1-CE 4.31Å; L220-M251 HydrophobicContact CD1-CG 3.64Å; T239-M251 WeakPolarHBondContact O-CB 3.36Å; T239-M251 PolarHBondContact O-N 3Å; T239-M251 VanDerWaalsContact O-N 3.1Å; I249-M251 HydrophobicContact CG2-CG 4.21Å; I249-M251 HydrophobicContact CG2-SD 3.71Å; M251-L255 HydrophobicContact CE-CB 3.55Å; M251-L255 HydrophobicContact CE-CD1 3.91Å; M251-L255 HydrophobicContact CE-CG 4.34Å; M251-L255 HydrophobicContact SD-CB 4.29Å; M251-L255 HydrophobicContact SD-CD1 3.57Å; M251-L255 VanDerWaalsContact SD-CD1 3.57Å
252S67.4Low77.1Confident27 Ų2748.4 Ų48.419%0.18926%0.261CS..  trans-85.9156.2171.267.20000110.4K200 H254 L255K200-S252 PolarHBondContact NZ-OG 3.5Å; S252-H254 PolarHBondContact O-N 3.31Å; S252-L255 WeakPolarHBondContact O-CB 3.31Å; S252-L255 PolarHBondContact O-N 3.02Å
253D68.4Low77.6Confident70 Ų7042.2 Ų42.237%0.37423%0.232SC..Hα-helixtrans-44.4-39.5174.1-179.546.1000114.4L255 C256 R257D253-L255 VanDerWaalsContact C-N 3.29Å; D253-L255 PolarHBondContact O-N 3.49Å; D253-C256 PolarHBondContact O-N 3.42Å; D253-R257 VanDerWaalsContact CG-NH2 3.25Å; D253-R257 WeakPolarHBondContact O-CG 3.48Å; D253-R257 PolarHBondContact O-N 3.39Å; D253-R257 IonicContact OD1-CZ 3.47Å; D253-R257 IonicContact OD1-NE 3.58Å; D253-R257 PolarHBondContact OD1-NE 3.34Å; D253-R257 IonicContact OD1-NH2 3.41Å; D253-R257 PolarHBondContact OD1-NH2 3.43Å; D253-R257 IonicContact OD2-CZ 3.62Å; D253-R257 IonicContact OD2-NE 3.23Å; D253-R257 PolarHBondContact OD2-NE 3.3Å; D253-R257 IonicContact OD2-NH2 2.82Å; D253-R257 PolarHBondContact OD2-NH2 2.92Å
254H66.1Low78.1Confident150 Ų15044 Ų4469%0.69424%0.244SC*.Hα-helixtrans-61.4-29.8176.4-63.4-65.6000115.2S252S252-H254 PolarHBondContact O-N 3.31Å
255L67.8Low78.7Confident3 Ų339.6 Ų39.62%0.01622%0.215CC..Hα-helixtrans-81.9-27.8178.8-65173.7000111.6L193 L196 L197 K200 C221 M251 S252 D253 R257 V258L193-L255 HydrophobicContact CD1-CB 4.42Å; L193-L255 HydrophobicContact CD1-CD2 4.22Å; L196-L255 HydrophobicContact CB-CD2 3.58Å; L196-L255 HydrophobicContact CD1-CD2 4.11Å; L197-L255 HydrophobicContact CD2-CD1 3.88Å; L197-L255 HydrophobicContact CD2-CD2 4.49Å; K200-L255 HydrophobicContact CD-CD1 4.05Å; C221-L255 PolarHBondContact SG-O 2.97Å; M251-L255 HydrophobicContact CE-CB 3.55Å; M251-L255 HydrophobicContact CE-CD1 3.91Å; M251-L255 HydrophobicContact CE-CG 4.34Å; M251-L255 HydrophobicContact SD-CB 4.29Å; M251-L255 HydrophobicContact SD-CD1 3.57Å; M251-L255 VanDerWaalsContact SD-CD1 3.57Å; S252-L255 WeakPolarHBondContact O-CB 3.31Å; S252-L255 PolarHBondContact O-N 3.02Å; D253-L255 VanDerWaalsContact C-N 3.29Å; D253-L255 PolarHBondContact O-N 3.49Å; L255-R257 PolarHBondContact O-N 3.05Å; L255-V258 WeakPolarHBondContact O-CG2 3.36Å
256C69.5Low79.5Confident14 Ų1439.1 Ų39.110%0.09521%0.213CC..Hα-helixtrans-68.9-26.4174.9-570000111.3C221 S222 D253 P259C221-C256 VanDerWaalsContact CA-O 3.31Å; C221-C256 WeakPolarHBondContact CA-O 3.11Å; C221-C256 WeakPolarHBondContact CB-O 3.34Å; S222-C256 PolarHBondContact N-O 3.31Å; D253-C256 PolarHBondContact O-N 3.42Å; C256-P259 WeakPolarHBondContact O-CD 3.49Å
257R74.4Confident80Confident58 Ų5842.1 Ų42.122%0.21922%0.219CC..THydrogen-bonded Turntrans-93.113.6-175.7-63178.5-168.6-158.34.5115.4D253 L255 E260D253-R257 VanDerWaalsContact CG-NH2 3.25Å; D253-R257 WeakPolarHBondContact O-CG 3.48Å; D253-R257 PolarHBondContact O-N 3.39Å; D253-R257 IonicContact OD1-CZ 3.47Å; D253-R257 IonicContact OD1-NE 3.58Å; D253-R257 PolarHBondContact OD1-NE 3.34Å; D253-R257 IonicContact OD1-NH2 3.41Å; D253-R257 PolarHBondContact OD1-NH2 3.43Å; D253-R257 IonicContact OD2-CZ 3.62Å; D253-R257 IonicContact OD2-NE 3.23Å; D253-R257 PolarHBondContact OD2-NE 3.3Å; D253-R257 IonicContact OD2-NH2 2.82Å; D253-R257 PolarHBondContact OD2-NH2 2.92Å; L255-R257 PolarHBondContact O-N 3.05Å; R257-E260 HydrophobicContact CB-CG 4.06Å; R257-E260 VanDerWaalsContact O-CB 3.3Å; R257-E260 WeakPolarHBondContact O-CB 3.36Å; R257-E260 VanDerWaalsContact O-CG 3.26Å; R257-E260 WeakPolarHBondContact O-CG 3.08Å; R257-E260 PolarHBondContact O-N 3.49Å
258V84Confident80.3Confident4 Ų439 Ų392%0.02420%0.202CC..G310 helixtrans-54.5-34.4173.5173.80000112.9I189 H192 L193 L196 L255 E260 V261I189-V258 HydrophobicContact CG2-CG1 3.76Å; H192-V258 HydrophobicContact CB-CG1 4.27Å; L193-V258 HydrophobicContact CB-CG1 4.2Å; L193-V258 HydrophobicContact CB-CG2 4.43Å; L193-V258 HydrophobicContact CD1-CG2 4Å; L196-V258 HydrophobicContact CD1-CG2 3.62Å; L255-V258 WeakPolarHBondContact O-CG2 3.36Å; V258-E260 PolarHBondContact O-N 2.98Å; V258-V261 WeakPolarHBondContact O-CG1 3.47Å; V258-V261 VanDerWaalsContact O-CG2 3.29Å; V258-V261 WeakPolarHBondContact O-CG2 3.46Å; V258-V261 PolarHBondContact O-N 2.92Å
259P87.4Confident80.6Confident0 Ų037.9 Ų37.90%021%0.207CC..G310 helixtrans-61.8-12.1175-26.337.4000115.9C221 V223 C256 V261 L262 F307C221-P259 HydrophobicContact CB-CG 3.68Å; V223-P259 HydrophobicContact CG2-CB 3.74Å; C256-P259 WeakPolarHBondContact O-CD 3.49Å; P259-V261 PolarHBondContact O-N 3.44Å; P259-V261 VanDerWaalsContact O-N 3.11Å; P259-L262 WeakPolarHBondContact O-CB 3.29Å; P259-L262 PolarHBondContact O-N 2.91Å; P259-L262 VanDerWaalsContact O-N 3.08Å; P259-F307 HydrophobicContact CB-CD1 4.47Å; P259-F307 HydrophobicContact CB-CD2 3.76Å; P259-F307 HydrophobicContact CB-CE2 3.93Å; P259-F307 HydrophobicContact CB-CG 4.06Å; P259-F307 HydrophobicContact CB-CZ 4.39Å; P259-F307 HydrophobicContact CG-CD1 3.77Å; P259-F307 HydrophobicContact CG-CD2 3.88Å; P259-F307 HydrophobicContact CG-CE1 3.73Å; P259-F307 HydrophobicContact CG-CE2 3.82Å; P259-F307 HydrophobicContact CG-CG 3.87Å; P259-F307 HydrophobicContact CG-CZ 3.76Å
260E87.4Confident81.1Confident27 Ų2740.1 Ų40.113%0.12622%0.218CC..G310 helixtrans-60.5-19.7174.9-66.9-72.615500112.5S224 R257 V258 L262 F263 T264 R313S224-E260 PolarHBondContact N-OE1 2.9Å; S224-E260 PolarHBondContact OG-OE1 2.72Å; R257-E260 HydrophobicContact CB-CG 4.06Å; R257-E260 VanDerWaalsContact O-CB 3.3Å; R257-E260 WeakPolarHBondContact O-CB 3.36Å; R257-E260 VanDerWaalsContact O-CG 3.26Å; R257-E260 WeakPolarHBondContact O-CG 3.08Å; R257-E260 PolarHBondContact O-N 3.49Å; V258-E260 PolarHBondContact O-N 2.98Å; E260-L262 PolarHBondContact O-N 2.94Å; E260-L262 VanDerWaalsContact O-N 3.16Å; E260-F263 PolarHBondContact O-N 3.22Å; E260-T264 PolarHBondContact O-N 3.14Å; E260-R313 IonicContact OE1-NH1 2.89Å; E260-R313 PolarHBondContact OE1-NH1 2.73Å; E260-R313 IonicContact OE2-CZ 2.63Å; E260-R313 IonicContact OE2-NH1 2.82Å; E260-R313 PolarHBondContact OE2-NH1 3.21Å; E260-R313 IonicContact OE2-NH2 2.78Å; E260-R313 PolarHBondContact OE2-NH2 2.49Å
261V90.3Very high81.6Confident2 Ų243.3 Ų43.31%0.01223%0.233CC..G310 helixtrans-60.2-21.5174-58.60000113.2V184 I189 V258 P259 F263 T264 P265 N267 L268V184-V261 HydrophobicContact CG1-CG2 4.24Å; I189-V261 HydrophobicContact CD1-CG2 4.48Å; I189-V261 HydrophobicContact CG1-CG2 3.69Å; V258-V261 WeakPolarHBondContact O-CG1 3.47Å; V258-V261 VanDerWaalsContact O-CG2 3.29Å; V258-V261 WeakPolarHBondContact O-CG2 3.46Å; V258-V261 PolarHBondContact O-N 2.92Å; P259-V261 PolarHBondContact O-N 3.44Å; P259-V261 VanDerWaalsContact O-N 3.11Å; V261-F263 VanDerWaalsContact C-N 3.34Å; V261-T264 CarbonylContact O-C 3.57Å; V261-P265 VanDerWaalsContact O-CA 3.28Å; V261-P265 WeakPolarHBondContact O-CA 3.41Å; V261-N267 HydrophobicContact CG1-CB 4.17Å; V261-L268 HydrophobicContact CB-CD1 3.87Å; V261-L268 HydrophobicContact CB-CG 4.04Å; V261-L268 HydrophobicContact CG1-CD1 4.21Å; V261-L268 HydrophobicContact CG1-CD2 4.16Å; V261-L268 HydrophobicContact CG1-CG 3.89Å; V261-L268 HydrophobicContact CG2-CD1 4.08Å
262L91.4Very high82.5Confident1 Ų147.2 Ų47.21%0.00525%0.254CS..G310 helixtrans-69.9-32.5173.8-66.7170.6000112.1V184 I189 P259 E260 G274 I275 T304 L310V184-L262 HydrophobicContact CG1-CD2 4.43Å; I189-L262 HydrophobicContact CD1-CD1 3.92Å; I189-L262 HydrophobicContact CD1-CD2 4.04Å; I189-L262 HydrophobicContact CD1-CG 3.89Å; P259-L262 WeakPolarHBondContact O-CB 3.29Å; P259-L262 PolarHBondContact O-N 2.91Å; P259-L262 VanDerWaalsContact O-N 3.08Å; E260-L262 PolarHBondContact O-N 2.94Å; E260-L262 VanDerWaalsContact O-N 3.16Å; L262-G274 CarbonylContact O-C 3.6Å; L262-G274 VanDerWaalsContact O-CA 3.22Å; L262-G274 WeakPolarHBondContact O-CA 3.06Å; L262-I275 HydrophobicContact CB-CD1 4.23Å; L262-I275 HydrophobicContact CB-CG1 4.45Å; L262-I275 HydrophobicContact CB-CG2 4.18Å; L262-I275 PolarHBondContact O-N 2.87Å; L262-T304 HydrophobicContact CD1-CG2 3.69Å; L262-T304 HydrophobicContact CD2-CG2 4.25Å; L262-L310 HydrophobicContact CD1-CD1 4.02Å
263F91.5Very high83.6Confident9 Ų950.1 Ų50.14%0.03927%0.267CS..THydrogen-bonded Turntrans-90.3-33.1178.2-65.8-90.1000111.6V223 E260 V261 G274 I275 L310 R313 L314 E317V223-F263 HydrophobicContact CG1-CD2 4.35Å; V223-F263 HydrophobicContact CG1-CE2 3.67Å; V223-F263 HydrophobicContact CG1-CZ 4.28Å; V223-F263 HydrophobicContact CG2-CE2 4.24Å; E260-F263 PolarHBondContact O-N 3.22Å; V261-F263 VanDerWaalsContact C-N 3.34Å; F263-G274 WeakPolarHBondContact O-CA 3.44Å; F263-I275 HydrophobicContact CD1-CD1 4.31Å; F263-I275 HydrophobicContact CD1-CG1 3.85Å; F263-I275 HydrophobicContact CD2-CD1 4.39Å; F263-I275 HydrophobicContact CD2-CG1 4.5Å; F263-I275 HydrophobicContact CE1-CD1 3.8Å; F263-I275 HydrophobicContact CE1-CG1 3.74Å; F263-I275 HydrophobicContact CE2-CD1 3.88Å; F263-I275 HydrophobicContact CE2-CG1 4.4Å; F263-I275 HydrophobicContact CG-CG1 4.25Å; F263-I275 HydrophobicContact CZ-CD1 3.58Å; F263-I275 HydrophobicContact CZ-CG1 4.05Å; F263-L310 HydrophobicContact CZ-CG 4.42Å; F263-R313 HydrophobicContact CD1-CG 4.22Å; F263-R313 HydrophobicContact CD2-CG 4.48Å; F263-R313 HydrophobicContact CE1-CB 4.44Å; F263-R313 HydrophobicContact CE1-CG 3.63Å; F263-R313 HydrophobicContact CE2-CG 3.94Å; F263-R313 HydrophobicContact CZ-CB 3.97Å; F263-R313 HydrophobicContact CZ-CG 3.45Å; F263-R313 VanDerWaalsContact CZ-CG 3.45Å; F263-L314 HydrophobicContact CE1-CB 4.41Å; F263-L314 HydrophobicContact CE1-CD1 4.43Å; F263-E317 WeakPolarHBondContact CD1-OE2 3.36Å
264T89.8Confident84.8Confident55 Ų5546.9 Ų46.934%0.33725%0.25SS..  trans-128.479.4179.7-48.70000110.3E260 V261 D266 N267E260-T264 PolarHBondContact O-N 3.14Å; V261-T264 CarbonylContact O-C 3.57Å; T264-D266 HydrophobicContact CG2-CB 4.22Å; T264-D266 PolarHBondContact O-N 2.88Å; T264-N267 WeakPolarHBondContact O-CB 3.05Å; T264-N267 PolarHBondContact O-N 2.81Å
265P89.6Confident86.2Confident3 Ų340 Ų402%0.01922%0.218CC..G310 helixtrans-65.6-16.5-179.327.9-36.3000113.2L182 V184 V261 N267 L268 I270 D272L182-P265 HydrophobicContact CD1-CB 4.44Å; V184-P265 HydrophobicContact CG2-CB 4.3Å; V261-P265 VanDerWaalsContact O-CA 3.28Å; V261-P265 WeakPolarHBondContact O-CA 3.41Å; P265-N267 PolarHBondContact O-N 3.19Å; P265-N267 VanDerWaalsContact O-N 3.1Å; P265-L268 WeakPolarHBondContact O-CB 3.43Å; P265-L268 PolarHBondContact O-N 2.92Å; P265-I270 CarbonylContact C-O 3.46Å; P265-I270 HydrophobicContact CB-CB 4.29Å; P265-I270 HydrophobicContact CB-CG2 4.43Å; P265-I270 PolarHBondContact O-N 3.2Å; P265-D272 WeakPolarHBondContact CG-O 3.48Å
266D88.2Confident87.4Confident86 Ų8639.9 Ų39.946%0.4622%0.218SC..G310 helixtrans-55.4-27.6172.6-70.7-43.1000112.8T264 L268 G269 I270 H271T264-D266 HydrophobicContact CG2-CB 4.22Å; T264-D266 PolarHBondContact O-N 2.88Å; D266-L268 PolarHBondContact O-N 3.29Å; D266-G269 WeakPolarHBondContact O-CA 3.24Å; D266-G269 PolarHBondContact O-N 2.87Å; D266-I270 PolarHBondContact N-O 3.18Å; D266-H271 IonicContact OD1-CE1 2.91Å; D266-H271 IonicContact OD1-CG 2.66Å; D266-H271 IonicContact OD1-ND1 3.56Å; D266-H271 PolarHBondContact OD1-ND1 3.1Å
267N84.7Confident88.6Confident101 Ų10144.8 Ų44.854%0.5424%0.238SC..G310 helixtrans-62.8-21.6175-71.1-12.4000113V261 T264 P265V261-N267 HydrophobicContact CG1-CB 4.17Å; T264-N267 WeakPolarHBondContact O-CB 3.05Å; T264-N267 PolarHBondContact O-N 2.81Å; P265-N267 PolarHBondContact O-N 3.19Å; P265-N267 VanDerWaalsContact O-N 3.1Å
268L84.7Confident89.6Confident33 Ų3342.3 Ų42.317%0.17323%0.229CC..G310 helixtrans-961.5172.8-64.5176000112.8V184 D188 H192 V261 P265 D266 I270V184-L268 HydrophobicContact CG1-CD1 3.73Å; V184-L268 HydrophobicContact CG2-CD1 4.36Å; D188-L268 HydrophobicContact CB-CD1 4.4Å; H192-L268 HydrophobicContact CB-CD2 3.77Å; H192-L268 VanDerWaalsContact ND1-CD2 3.29Å; H192-L268 WeakPolarHBondContact ND1-CD2 3.31Å; V261-L268 HydrophobicContact CB-CD1 3.87Å; V261-L268 HydrophobicContact CB-CG 4.04Å; V261-L268 HydrophobicContact CG1-CD1 4.21Å; V261-L268 HydrophobicContact CG1-CD2 4.16Å; V261-L268 HydrophobicContact CG1-CG 3.89Å; V261-L268 HydrophobicContact CG2-CD1 4.08Å; P265-L268 WeakPolarHBondContact O-CB 3.43Å; P265-L268 PolarHBondContact O-N 2.92Å; D266-L268 PolarHBondContact O-N 3.29Å; L268-I270 VanDerWaalsContact C-N 3.29Å; L268-I270 HydrophobicContact CB-CD1 4.13Å; L268-I270 HydrophobicContact CB-CG1 4.26Å
269G86.2Confident90.2Very high55 Ų5542.1 Ų42.157%0.56723%0.227SC*.THydrogen-bonded Turntrans75.118.2-171.400000113.4D266D266-G269 WeakPolarHBondContact O-CA 3.24Å; D266-G269 PolarHBondContact O-N 2.87Å
270I87.3Confident90.5Very high48 Ų4842.8 Ų42.825%0.24623%0.232CC..  trans-103.3112.4179-61.7170.4000108.3V184 P265 D266 L268 D272V184-I270 HydrophobicContact CG2-CD1 3.49Å; V184-I270 VanDerWaalsContact CG2-CD1 3.49Å; V184-I270 HydrophobicContact CG2-CG2 4.42Å; P265-I270 CarbonylContact C-O 3.46Å; P265-I270 HydrophobicContact CB-CB 4.29Å; P265-I270 HydrophobicContact CB-CG2 4.43Å; P265-I270 PolarHBondContact O-N 3.2Å; D266-I270 PolarHBondContact N-O 3.18Å; L268-I270 VanDerWaalsContact C-N 3.29Å; L268-I270 HydrophobicContact CB-CD1 4.13Å; L268-I270 HydrophobicContact CB-CG1 4.26Å; I270-D272 HydrophobicContact CG2-CB 3.99Å; I270-D272 WeakPolarHBondContact CG2-OD2 3.38Å; I270-D272 PolarHBondContact O-N 2.84Å
271H86.6Confident90.9Very high161 Ų16143.2 Ų43.275%0.74524%0.238SC*.  trans-85.551.1-177.9-61.7-51000112.7D266D266-H271 IonicContact OD1-CE1 2.91Å; D266-H271 IonicContact OD1-CG 2.66Å; D266-H271 IonicContact OD1-ND1 3.56Å; D266-H271 PolarHBondContact OD1-ND1 3.1Å
272D89.9Confident91.1Very high84 Ų8443.1 Ų43.145%0.44924%0.238SC..SBendtrans-107.6172.6175.3-76.8-38.7000111.4L182 P265 I270L182-D272 HydrophobicContact CD1-CB 3.58Å; P265-D272 WeakPolarHBondContact CG-O 3.48Å; I270-D272 HydrophobicContact CG2-CB 3.99Å; I270-D272 WeakPolarHBondContact CG2-OD2 3.38Å; I270-D272 PolarHBondContact O-N 2.84Å
273L91Very high91.3Very high88 Ų8843.1 Ų43.146%0.46124%0.237SC..  trans-76.1134.9175-60177.2000110.6K277L273-K277 HydrophobicContact CB-CB 4.15Å; L273-K277 HydrophobicContact CD2-CB 4.28Å; L273-K277 HydrophobicContact CD2-CD 4.28Å
274G93.3Very high91.5Very high3 Ų346.1 Ų46.13%0.03125%0.252CS..  trans-67.2167.4168.200000112.8L262 F263 S276 K277 M278L262-G274 CarbonylContact O-C 3.6Å; L262-G274 VanDerWaalsContact O-CA 3.22Å; L262-G274 WeakPolarHBondContact O-CA 3.06Å; F263-G274 WeakPolarHBondContact O-CA 3.44Å; G274-S276 VanDerWaalsContact C-N 3.3Å; G274-S276 PolarHBondContact O-N 3.4Å; G274-K277 PolarHBondContact O-N 2.93Å; G274-M278 VanDerWaalsContact O-CB 3.24Å; G274-M278 WeakPolarHBondContact O-CB 3.28Å; G274-M278 PolarHBondContact O-N 2.99Å
275I94.6Very high91.7Very high4 Ų448.2 Ų48.22%0.02126%0.257CS..Hα-helixtrans-56.8-35.9-170.659.9171.6000114.8T164 L182 L262 F263 M278 A279 L314T164-I275 HydrophobicContact CG2-CG2 3.75Å; L182-I275 HydrophobicContact CD2-CG2 4.4Å; L262-I275 HydrophobicContact CB-CD1 4.23Å; L262-I275 HydrophobicContact CB-CG1 4.45Å; L262-I275 HydrophobicContact CB-CG2 4.18Å; L262-I275 PolarHBondContact O-N 2.87Å; F263-I275 HydrophobicContact CD1-CD1 4.31Å; F263-I275 HydrophobicContact CD1-CG1 3.85Å; F263-I275 HydrophobicContact CD2-CD1 4.39Å; F263-I275 HydrophobicContact CD2-CG1 4.5Å; F263-I275 HydrophobicContact CE1-CD1 3.8Å; F263-I275 HydrophobicContact CE1-CG1 3.74Å; F263-I275 HydrophobicContact CE2-CD1 3.88Å; F263-I275 HydrophobicContact CE2-CG1 4.4Å; F263-I275 HydrophobicContact CG-CG1 4.25Å; F263-I275 HydrophobicContact CZ-CD1 3.58Å; F263-I275 HydrophobicContact CZ-CG1 4.05Å; I275-M278 HydrophobicContact CG2-CE 4.28Å; I275-A279 WeakPolarHBondContact O-CB 3.38Å; I275-A279 PolarHBondContact O-N 3.25Å; I275-L314 HydrophobicContact CG1-CD1 4.42Å
276S94.2Very high92Very high1 Ų148.3 Ų48.31%0.00726%0.258CS..Hα-helixtrans-68.2-51.7178.8510000112.3G274 M278 A279 C280 E317G274-S276 VanDerWaalsContact C-N 3.3Å; G274-S276 PolarHBondContact O-N 3.4Å; S276-M278 VanDerWaalsContact C-N 3.25Å; S276-M278 PolarHBondContact O-N 3.47Å; S276-A279 PolarHBondContact O-N 2.96Å; S276-C280 PolarHBondContact O-N 3.16Å; S276-E317 WeakPolarHBondContact CB-OE2 3.41Å; S276-E317 PolarHBondContact OG-OE2 2.76Å
277K94.4Very high92.3Very high118 Ų11849.9 Ų49.951%0.51327%0.266SS..Hα-helixtrans-63.2-35.3175.1-65.6179.9-176173.80111.2L273 G274 S281 L321L273-K277 HydrophobicContact CB-CB 4.15Å; L273-K277 HydrophobicContact CD2-CB 4.28Å; L273-K277 HydrophobicContact CD2-CD 4.28Å; G274-K277 PolarHBondContact O-N 2.93Å; K277-S281 WeakPolarHBondContact O-CB 3.04Å; K277-S281 PolarHBondContact O-N 3.17Å; K277-L321 HydrophobicContact CG-CD1 4.19Å
278M95.2Very high92.6Very high5 Ų550.3 Ų50.33%0.02527%0.273CS..Hα-helixtrans-65-46.1176.4-176.1169.566.400111.5T164 T166 T180 L182 G274 I275 S276 S281 S282T164-M278 HydrophobicContact CG2-CE 3.73Å; T166-M278 HydrophobicContact CG2-CE 3.68Å; T166-M278 HydrophobicContact CG2-CG 3.99Å; T166-M278 HydrophobicContact CG2-SD 4.48Å; T166-M278 PolarHBondContact OG1-O 3.31Å; T180-M278 WeakPolarHBondContact OG1-CG 3.17Å; L182-M278 HydrophobicContact CB-CE 4.05Å; L182-M278 HydrophobicContact CB-SD 3.78Å; G274-M278 VanDerWaalsContact O-CB 3.24Å; G274-M278 WeakPolarHBondContact O-CB 3.28Å; G274-M278 PolarHBondContact O-N 2.99Å; I275-M278 HydrophobicContact CG2-CE 4.28Å; S276-M278 VanDerWaalsContact C-N 3.25Å; S276-M278 PolarHBondContact O-N 3.47Å; M278-S281 PolarHBondContact O-N 3.41Å; M278-S282 WeakPolarHBondContact O-CB 2.81Å; M278-S282 PolarHBondContact O-N 2.83Å
279A95.7Very high93Very high0 Ų055.9 Ų55.90%030%0.302CS..Hα-helixtrans-61.7-49.2175.300000111.8L155 V157 T166 I275 S276 S281 S282 I283 L318L155-A279 HydrophobicContact CD2-CB 3.67Å; V157-A279 HydrophobicContact CG2-CB 4.32Å; T166-A279 HydrophobicContact CG2-CB 4.13Å; I275-A279 WeakPolarHBondContact O-CB 3.38Å; I275-A279 PolarHBondContact O-N 3.25Å; S276-A279 PolarHBondContact O-N 2.96Å; A279-S281 PolarHBondContact O-N 3.19Å; A279-S282 WeakPolarHBondContact O-CB 3.12Å; A279-S282 PolarHBondContact O-N 3.42Å; A279-I283 WeakPolarHBondContact O-CG1 3.31Å; A279-I283 PolarHBondContact O-N 2.98Å; A279-L318 HydrophobicContact CB-CD2 4.15Å
280C94.9Very high93.3Very high14 Ų1454.1 Ų54.110%0.09528%0.28CS..Hα-helixtrans-61.2-45.6176.5-178.20000111.5S276 S282 I283 M284 L318 L321S276-C280 PolarHBondContact O-N 3.16Å; C280-S282 VanDerWaalsContact C-N 3.29Å; C280-S282 PolarHBondContact O-N 3.34Å; C280-I283 PolarHBondContact O-N 3.28Å; C280-M284 WeakPolarHBondContact O-CB 3.29Å; C280-M284 WeakPolarHBondContact O-CG 3.31Å; C280-M284 PolarHBondContact O-N 3.47Å; C280-L318 HydrophobicContact CB-CD2 4.22Å; C280-L321 HydrophobicContact CB-CB 4.31Å; C280-L321 HydrophobicContact CB-CD1 4.27Å
281S95.2Very high93.6Very high37 Ų3753 Ų5326%0.25927%0.274SS..Hα-helixtrans-61.3-36.6176.9179.60000112.7K277 M278 A279 K285K277-S281 WeakPolarHBondContact O-CB 3.04Å; K277-S281 PolarHBondContact O-N 3.17Å; M278-S281 PolarHBondContact O-N 3.41Å; A279-S281 PolarHBondContact O-N 3.19Å; S281-K285 VanDerWaalsContact O-CG 3.28Å; S281-K285 WeakPolarHBondContact O-CG 3.42Å; S281-K285 PolarHBondContact O-N 3.32Å
282S95.8Very high93.9Very high0 Ų051.3 Ų51.30%027%0.266CS..Hα-helixtrans-64.3-45.9176-174.20000111.2T166 P168 A178 M278 A279 C280 K285 C286T166-S282 VanDerWaalsContact OG1-CB 3.23Å; T166-S282 WeakPolarHBondContact OG1-CB 2.98Å; P168-S282 VanDerWaalsContact CD-OG 3.31Å; P168-S282 WeakPolarHBondContact CD-OG 3.46Å; P168-S282 WeakPolarHBondContact CG-OG 2.99Å; A178-S282 WeakPolarHBondContact O-CA 3.45Å; A178-S282 WeakPolarHBondContact O-CB 3.18Å; A178-S282 PolarHBondContact O-OG 3.27Å; M278-S282 WeakPolarHBondContact O-CB 2.81Å; M278-S282 PolarHBondContact O-N 2.83Å; A279-S282 WeakPolarHBondContact O-CB 3.12Å; A279-S282 PolarHBondContact O-N 3.42Å; C280-S282 VanDerWaalsContact C-N 3.29Å; C280-S282 PolarHBondContact O-N 3.34Å; S282-K285 PolarHBondContact O-N 3.06Å; S282-C286 PolarHBondContact O-SG 2.84Å
283I95.3Very high94.1Very high0 Ų050 Ų500%026%0.261CS..Hα-helixtrans-65.1-43.4176.5-62.6169.7000111.1L155 A279 C280 K285 C286 Q291 L294 F295L155-I283 HydrophobicContact CD1-CG1 4.27Å; L155-I283 HydrophobicContact CD2-CD1 3.87Å; L155-I283 HydrophobicContact CD2-CG1 4.01Å; L155-I283 HydrophobicContact CG-CG1 4.5Å; A279-I283 WeakPolarHBondContact O-CG1 3.31Å; A279-I283 PolarHBondContact O-N 2.98Å; C280-I283 PolarHBondContact O-N 3.28Å; I283-K285 PolarHBondContact O-N 3.41Å; I283-C286 WeakPolarHBondContact O-CB 3.15Å; I283-C286 PolarHBondContact O-N 2.93Å; I283-Q291 HydrophobicContact CG2-CB 3.82Å; I283-Q291 HydrophobicContact CG2-CG 3.88Å; I283-Q291 WeakPolarHBondContact O-CG 3.41Å; I283-L294 HydrophobicContact CD1-CB 4.31Å; I283-L294 HydrophobicContact CG1-CB 4.02Å; I283-L294 HydrophobicContact CG2-CB 4.16Å; I283-L294 HydrophobicContact CG2-CD1 4.41Å; I283-F295 HydrophobicContact CB-CE2 4.14Å; I283-F295 HydrophobicContact CB-CZ 4.16Å; I283-F295 HydrophobicContact CD1-CD1 3.56Å; I283-F295 HydrophobicContact CD1-CD2 4.17Å; I283-F295 HydrophobicContact CD1-CE1 3.54Å; I283-F295 HydrophobicContact CD1-CE2 4.16Å; I283-F295 HydrophobicContact CD1-CG 3.87Å; I283-F295 HydrophobicContact CD1-CZ 3.85Å; I283-F295 HydrophobicContact CG2-CD2 3.74Å; I283-F295 HydrophobicContact CG2-CE2 3.43Å; I283-F295 VanDerWaalsContact CG2-CE2 3.43Å; I283-F295 HydrophobicContact CG2-CG 4.48Å; I283-F295 HydrophobicContact CG2-CZ 3.96Å
284M94.1Very high94.2Very high72 Ų7245.9 Ų45.936%0.35524%0.24SC..Hα-helixtrans-67.2-17.2-179-67-66.8172.400114C280 C286 F295 F323C280-M284 WeakPolarHBondContact O-CB 3.29Å; C280-M284 WeakPolarHBondContact O-CG 3.31Å; C280-M284 PolarHBondContact O-N 3.47Å; M284-C286 VanDerWaalsContact C-N 3.33Å; M284-F295 HydrophobicContact CE-CE2 4.21Å; M284-F295 HydrophobicContact CE-CZ 4.17Å; M284-F323 HydrophobicContact CE-CD2 4.03Å; M284-F323 HydrophobicContact CE-CE2 3.63Å; M284-F323 HydrophobicContact SD-CE2 4.1Å
285K95.5Very high94.3Very high100 Ų10045.9 Ų45.944%0.43524%0.239SC..THydrogen-bonded Turntrans-79.7-17.6172-75.4171.4-176.7-178.10112.9A178 S281 S282 I283A178-K285 HydrophobicContact CB-CB 3.81Å; S281-K285 VanDerWaalsContact O-CG 3.28Å; S281-K285 WeakPolarHBondContact O-CG 3.42Å; S281-K285 PolarHBondContact O-N 3.32Å; S282-K285 PolarHBondContact O-N 3.06Å; I283-K285 PolarHBondContact O-N 3.41Å
286C95.1Very high94.2Very high5 Ų546.9 Ų46.93%0.03425%0.248CC..SBendtrans-81.3161.1176.9-64.30000111.2A178 S282 I283 M284 I290 Q291 L294A178-C286 VanDerWaalsContact CB-SG 3.52Å; S282-C286 PolarHBondContact O-SG 2.84Å; I283-C286 WeakPolarHBondContact O-CB 3.15Å; I283-C286 PolarHBondContact O-N 2.93Å; M284-C286 VanDerWaalsContact C-N 3.33Å; C286-I290 HydrophobicContact CB-CD1 3.68Å; C286-I290 HydrophobicContact CB-CG1 3.84Å; C286-Q291 PolarHBondContact O-NE2 3.44Å; C286-L294 HydrophobicContact CB-CD1 3.91Å
287D93.8Very high94.3Very high119 Ų11948.7 Ų48.764%0.63626%0.257SS*.  trans-60.5141.1176.3-63.4-31.7000111.6D289 I290 Q291D287-D289 PolarHBondContact O-N 2.55Å; D287-I290 HydrophobicContact CB-CG1 4.37Å; D287-I290 WeakPolarHBondContact O-CG1 3.47Å; D287-I290 PolarHBondContact O-N 2.79Å; D287-Q291 WeakPolarHBondContact O-CG 3.45Å; D287-Q291 PolarHBondContact O-N 2.91Å
288T91.9Very high94.3Very high110 Ų11043.1 Ų43.168%0.67523%0.233SC*.Hα-helixtrans-52.3-36.3-174.7-48.20000113.1I290 Q291T288-I290 VanDerWaalsContact C-N 3.25Å; T288-I290 PolarHBondContact O-N 2.78Å; T288-Q291 PolarHBondContact O-N 3.07Å
289D92.2Very high94.4Very high149 Ų14942.9 Ų42.980%0.79723%0.232SC*.Hα-helixtrans-64.3-28-177.7-61-19.6000113.1D287D287-D289 PolarHBondContact O-N 2.55Å
290I93.9Very high94.4Very high18 Ų1843 Ų439%0.09223%0.232CC..Hα-helixtrans-98.4-13.9-178.764.5166.9000112.9Y170 L175 C286 D287 T288 E292 T293 L294Y170-I290 HydrophobicContact CD2-CB 4.07Å; Y170-I290 HydrophobicContact CD2-CG2 3.65Å; Y170-I290 HydrophobicContact CE1-CG2 4.49Å; Y170-I290 HydrophobicContact CE2-CB 4.14Å; Y170-I290 HydrophobicContact CE2-CG2 3.37Å; Y170-I290 HydrophobicContact CG-CG2 4.34Å; L175-I290 HydrophobicContact CD1-CD1 3.49Å; L175-I290 VanDerWaalsContact CD1-CD1 3.49Å; C286-I290 HydrophobicContact CB-CD1 3.68Å; C286-I290 HydrophobicContact CB-CG1 3.84Å; D287-I290 HydrophobicContact CB-CG1 4.37Å; D287-I290 WeakPolarHBondContact O-CG1 3.47Å; D287-I290 PolarHBondContact O-N 2.79Å; T288-I290 VanDerWaalsContact C-N 3.25Å; T288-I290 PolarHBondContact O-N 2.78Å; I290-E292 PolarHBondContact O-N 3.47Å; I290-T293 PolarHBondContact O-N 3.33Å; I290-L294 HydrophobicContact CD1-CD1 4.2Å; I290-L294 HydrophobicContact CG1-CD1 4.28Å; I290-L294 WeakPolarHBondContact O-CG 3.42Å; I290-L294 PolarHBondContact O-N 3.44Å
291Q94.1Very high94.4Very high25 Ų2542.4 Ų42.412%0.11723%0.229CC..Hα-helixtrans-59.7-44.4-175.9-69.2-180800112.6I283 C286 D287 T288 T293 L294 F295I283-Q291 HydrophobicContact CG2-CB 3.82Å; I283-Q291 HydrophobicContact CG2-CG 3.88Å; I283-Q291 WeakPolarHBondContact O-CG 3.41Å; C286-Q291 PolarHBondContact O-NE2 3.44Å; D287-Q291 WeakPolarHBondContact O-CG 3.45Å; D287-Q291 PolarHBondContact O-N 2.91Å; T288-Q291 PolarHBondContact O-N 3.07Å; Q291-T293 VanDerWaalsContact C-N 3.31Å; Q291-T293 PolarHBondContact O-N 3.44Å; Q291-L294 PolarHBondContact O-N 2.99Å; Q291-F295 VanDerWaalsContact O-CD2 3.28Å; Q291-F295 WeakPolarHBondContact O-CD2 3.28Å; Q291-F295 PolarHBondContact O-N 3.31Å
292E92.3Very high94.2Very high125 Ų12541 Ų4158%0.58422%0.22SC*.Hα-helixtrans-61.5-41.3179-172.2178.6179.300111.4I290 F295 A296I290-E292 PolarHBondContact O-N 3.47Å; E292-F295 PolarHBondContact O-N 3.42Å; E292-A296 WeakPolarHBondContact O-CB 3.16Å; E292-A296 PolarHBondContact O-N 3.39Å
293T93.5Very high94Very high58 Ų5842.9 Ų42.936%0.35624%0.239SC..Hα-helixtrans-65.9-39.1176.5-51.20000111.6T153 I290 Q291 A296 D297T153-T293 HydrophobicContact CG2-CG2 3.65Å; I290-T293 PolarHBondContact O-N 3.33Å; Q291-T293 VanDerWaalsContact C-N 3.31Å; Q291-T293 PolarHBondContact O-N 3.44Å; T293-A296 PolarHBondContact O-N 3.18Å; T293-D297 PolarHBondContact O-N 3.02Å; T293-D297 VanDerWaalsContact O-N 3.16Å
294L94.4Very high93.9Very high0 Ų043.3 Ų43.30%024%0.242CC..Hα-helixtrans-68.5-35.4178.2-66.9174.6000112.7G154 P168 I283 C286 I290 Q291 D297 I298G154-L294 VanDerWaalsContact C-CD2 3.45Å; G154-L294 WeakPolarHBondContact O-CD2 3.17Å; P168-L294 HydrophobicContact CB-CD1 3.93Å; P168-L294 HydrophobicContact CB-CD2 4.21Å; I283-L294 HydrophobicContact CD1-CB 4.31Å; I283-L294 HydrophobicContact CG1-CB 4.02Å; I283-L294 HydrophobicContact CG2-CB 4.16Å; I283-L294 HydrophobicContact CG2-CD1 4.41Å; C286-L294 HydrophobicContact CB-CD1 3.91Å; I290-L294 HydrophobicContact CD1-CD1 4.2Å; I290-L294 HydrophobicContact CG1-CD1 4.28Å; I290-L294 WeakPolarHBondContact O-CG 3.42Å; I290-L294 PolarHBondContact O-N 3.44Å; Q291-L294 PolarHBondContact O-N 2.99Å; L294-D297 CarbonylContact O-C 3.6Å; L294-I298 WeakPolarHBondContact O-CG1 3.3Å
295F94.4Very high93.9Very high3 Ų340 Ų401%0.01323%0.226CC..Hα-helixtrans-69.3-36.7172.1-83.3-65.7000112.2I283 M284 Q291 E292 D297 A322 T326 P327 I328 K329I283-F295 HydrophobicContact CB-CE2 4.14Å; I283-F295 HydrophobicContact CB-CZ 4.16Å; I283-F295 HydrophobicContact CD1-CD1 3.56Å; I283-F295 HydrophobicContact CD1-CD2 4.17Å; I283-F295 HydrophobicContact CD1-CE1 3.54Å; I283-F295 HydrophobicContact CD1-CE2 4.16Å; I283-F295 HydrophobicContact CD1-CG 3.87Å; I283-F295 HydrophobicContact CD1-CZ 3.85Å; I283-F295 HydrophobicContact CG2-CD2 3.74Å; I283-F295 HydrophobicContact CG2-CE2 3.43Å; I283-F295 VanDerWaalsContact CG2-CE2 3.43Å; I283-F295 HydrophobicContact CG2-CG 4.48Å; I283-F295 HydrophobicContact CG2-CZ 3.96Å; M284-F295 HydrophobicContact CE-CE2 4.21Å; M284-F295 HydrophobicContact CE-CZ 4.17Å; Q291-F295 VanDerWaalsContact O-CD2 3.28Å; Q291-F295 WeakPolarHBondContact O-CD2 3.28Å; Q291-F295 PolarHBondContact O-N 3.31Å; E292-F295 PolarHBondContact O-N 3.42Å; F295-D297 VanDerWaalsContact C-N 3.29Å; F295-D297 PolarHBondContact O-N 3.4Å; F295-A322 HydrophobicContact CD1-CB 4.41Å; F295-A322 HydrophobicContact CE1-CB 3.99Å; F295-A322 HydrophobicContact CZ-CB 4.11Å; F295-T326 HydrophobicContact CB-CG2 3.67Å; F295-T326 HydrophobicContact CD2-CG2 3.89Å; F295-T326 HydrophobicContact CG-CG2 3.91Å; F295-P327 CarbonylContact C-O 3.45Å; F295-I328 HydrophobicContact CB-CG1 4.45Å; F295-I328 HydrophobicContact CD1-CG1 4.23Å; F295-I328 WeakPolarHBondContact O-CA 3.25Å; F295-K329 PolarHBondContact O-N 2.74Å
296A93.3Very high93.8Very high25 Ų2538.8 Ų38.821%0.20722%0.223CC..Hα-helixtrans-70-23.318000000113.6E292 T293 P327 K329E292-A296 WeakPolarHBondContact O-CB 3.16Å; E292-A296 PolarHBondContact O-N 3.39Å; T293-A296 PolarHBondContact O-N 3.18Å; A296-P327 WeakPolarHBondContact CA-O 3.31Å; A296-P327 PolarHBondContact N-O 2.88Å; A296-K329 VanDerWaalsContact O-CB 3.25Å; A296-K329 WeakPolarHBondContact O-CB 3.23Å
297D94.6Very high93.6Very high40 Ų4039.1 Ų39.121%0.21422%0.224CC..  trans-134.284.7178.8-75-53.8000111.5G154 L155 T293 L294 F295 K329G154-D297 CarbonylContact C-O 3.52Å; G154-D297 WeakPolarHBondContact CA-O 3.22Å; L155-D297 PolarHBondContact N-O 3.41Å; T293-D297 PolarHBondContact O-N 3.02Å; T293-D297 VanDerWaalsContact O-N 3.16Å; L294-D297 CarbonylContact O-C 3.6Å; F295-D297 VanDerWaalsContact C-N 3.29Å; F295-D297 PolarHBondContact O-N 3.4Å; D297-K329 IonicContact OD1-NZ 2.98Å; D297-K329 PolarHBondContact OD1-NZ 3.22Å
298I96.2Very high93.4Very high0 Ų037.2 Ų37.20%022%0.219CC..EExtended strand (participates in β ladder)trans-99.3129.6171.3-56.4177.9000109L155 V157 L294 L318 I328 K329 I330 T331L155-I298 HydrophobicContact CB-CG1 4.29Å; L155-I298 HydrophobicContact CD2-CG2 4.48Å; L155-I298 CarbonylContact O-C 3.46Å; L155-I298 VanDerWaalsContact O-CA 3.29Å; L155-I298 WeakPolarHBondContact O-CA 3.41Å; V157-I298 HydrophobicContact CG2-CG2 3.98Å; L294-I298 WeakPolarHBondContact O-CG1 3.3Å; I298-L318 HydrophobicContact CD1-CD1 3.5Å; I298-L318 VanDerWaalsContact CD1-CD1 3.5Å; I298-I328 HydrophobicContact CD1-CG2 4.18Å; I298-K329 PolarHBondContact N-O 2.83Å; I298-I330 HydrophobicContact CB-CG1 4.13Å; I298-I330 HydrophobicContact CD1-CG1 4.42Å; I298-I330 HydrophobicContact CG2-CG1 4.34Å; I298-I330 CarbonylContact O-C 3.16Å; I298-I330 WeakPolarHBondContact O-CA 3.32Å; I298-T331 PolarHBondContact O-N 3.41Å
299V96.2Very high93.2Very high1 Ų133.2 Ų33.21%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-115.5127.1179.2178.60000110.3L146 S149 L155 V156 V157L146-V299 HydrophobicContact CD1-CB 4.45Å; L146-V299 HydrophobicContact CD1-CG2 3.82Å; S149-V299 WeakPolarHBondContact OG-CG1 3.18Å; L155-V299 PolarHBondContact O-N 2.81Å; V156-V299 WeakPolarHBondContact CA-O 3.4Å; V156-V299 HydrophobicContact CG2-CB 4.41Å; V157-V299 PolarHBondContact N-O 3.02Å
300L96.1Very high93.2Very high1 Ų126.3 Ų26.31%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-89130173.3-62.8-172.4000111V157 T305 L310 Q311 L314 I330 T331 A332V157-L300 HydrophobicContact CB-CD2 3.8Å; V157-L300 HydrophobicContact CG1-CD2 4.24Å; V157-L300 HydrophobicContact CG2-CD2 4.38Å; L300-T305 HydrophobicContact CB-CG2 4.47Å; L300-L310 HydrophobicContact CD1-CD2 3.97Å; L300-Q311 HydrophobicContact CD1-CB 4.02Å; L300-Q311 HydrophobicContact CD1-CG 4.44Å; L300-L314 HydrophobicContact CD2-CD2 3.77Å; L300-I330 HydrophobicContact CD1-CG2 3.84Å; L300-I330 HydrophobicContact CD2-CG2 4.2Å; L300-I330 HydrophobicContact CG-CG2 3.65Å; L300-T331 PolarHBondContact N-O 3.22Å; L300-A332 HydrophobicContact CB-CB 4.24Å; L300-A332 HydrophobicContact CD1-CB 4.07Å; L300-A332 HydrophobicContact CG-CB 4.45Å
301S94.6Very high93.1Very high3 Ų328.6 Ų28.62%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-135.3158.2176.2-161.80000112.4A145 V157 D158 S159 T305 R336 S339A145-S301 WeakPolarHBondContact CB-OG 3.44Å; V157-S301 PolarHBondContact O-N 2.9Å; D158-S301 WeakPolarHBondContact CA-O 3.45Å; S159-S301 PolarHBondContact N-O 3.25Å; S301-T305 WeakPolarHBondContact O-CG2 3.29Å; S301-T305 PolarHBondContact O-OG1 3.29Å; S301-R336 PolarHBondContact OG-O 3.16Å; S301-S339 WeakPolarHBondContact OG-CB 3.03Å
302G91.5Very high93Very high8 Ų830.6 Ų30.68%0.08218%0.184CC..SBendtrans91.9153.2175.900000113.7S159 T304 T305 R336S159-G302 CarbonylContact O-C 3.56Å; S159-G302 VanDerWaalsContact O-CA 3.31Å; S159-G302 WeakPolarHBondContact O-CA 3.41Å; G302-T304 VanDerWaalsContact C-N 3.29Å; G302-T304 PolarHBondContact O-N 3.01Å; G302-T305 PolarHBondContact O-N 2.73Å; G302-T305 PolarHBondContact O-OG1 3.17Å; G302-R336 PolarHBondContact N-O 3.35Å
303G91.2Very high93Very high38 Ų3826 Ų2639%0.39216%0.162SC..G310 helixtrans-64-29.9-171.100000114.2S159 T305 L306S159-G303 PolarHBondContact O-N 3.44Å; G303-T305 PolarHBondContact O-N 3.32Å; G303-L306 VanDerWaalsContact O-CB 3.25Å; G303-L306 WeakPolarHBondContact O-CB 3.29Å; G303-L306 WeakPolarHBondContact O-CG 3.4Å; G303-L306 PolarHBondContact O-N 3.02Å; G303-L306 VanDerWaalsContact O-N 3.16Å
304T93.6Very high93Very high10 Ų1023.3 Ų23.36%0.06115%0.145CC..G310 helixtrans-72.9-20.4-179.6-58.50000111.8S159 G160 G186 I189 L262 G302 L306 F307S159-T304 VanDerWaalsContact O-CB 3.31Å; S159-T304 WeakPolarHBondContact O-CB 3.33Å; S159-T304 PolarHBondContact O-N 2.92Å; S159-T304 VanDerWaalsContact OG-CB 3.3Å; S159-T304 WeakPolarHBondContact OG-CB 3.28Å; S159-T304 WeakPolarHBondContact OG-CG2 3.5Å; G160-T304 PolarHBondContact O-OG1 2.73Å; G186-T304 WeakPolarHBondContact CA-OG1 3.44Å; G186-T304 PolarHBondContact N-OG1 3.41Å; I189-T304 HydrophobicContact CD1-CG2 3.69Å; L262-T304 HydrophobicContact CD1-CG2 3.69Å; L262-T304 HydrophobicContact CD2-CG2 4.25Å; G302-T304 VanDerWaalsContact C-N 3.29Å; G302-T304 PolarHBondContact O-N 3.01Å; T304-L306 PolarHBondContact O-N 2.86Å; T304-F307 HydrophobicContact CG2-CD2 4.32Å; T304-F307 HydrophobicContact CG2-CE2 3.86Å; T304-F307 WeakPolarHBondContact O-CD2 3.22Å
305T93.7Very high92.9Very high3 Ų325.5 Ų25.52%0.01816%0.156CC..G310 helixtrans-76.7-1.9173.470.80000113.4L300 S301 G302 G303 F307 R336L300-T305 HydrophobicContact CB-CG2 4.47Å; S301-T305 WeakPolarHBondContact O-CG2 3.29Å; S301-T305 PolarHBondContact O-OG1 3.29Å; G302-T305 PolarHBondContact O-N 2.73Å; G302-T305 PolarHBondContact O-OG1 3.17Å; G303-T305 PolarHBondContact O-N 3.32Å; T305-F307 PolarHBondContact O-N 3.28Å; T305-R336 PolarHBondContact O-NE 2.92Å; T305-R336 VanDerWaalsContact O-NE 3.09Å; T305-R336 PolarHBondContact O-NH2 3.17Å; T305-R336 VanDerWaalsContact OG1-CD 3.28Å; T305-R336 WeakPolarHBondContact OG1-CD 3.36Å; T305-R336 PolarHBondContact OG1-NE 3.23Å
306L92.9Very high92.7Very high73 Ų7330.3 Ų30.338%0.38217%0.174SC..G310 helixtrans-75.2-10177.9-68.8171.6000113.6G303 T304 R336 C337G303-L306 VanDerWaalsContact O-CB 3.25Å; G303-L306 WeakPolarHBondContact O-CB 3.29Å; G303-L306 WeakPolarHBondContact O-CG 3.4Å; G303-L306 PolarHBondContact O-N 3.02Å; G303-L306 VanDerWaalsContact O-N 3.16Å; T304-L306 PolarHBondContact O-N 2.86Å; L306-R336 HydrophobicContact CD2-CG 3.78Å; L306-R336 HydrophobicContact CG-CG 4.46Å; L306-C337 HydrophobicContact CD1-CB 4.02Å
307F91.3Very high92.7Very high12 Ų1231.3 Ų31.35%0.05318%0.175CC..SBendtrans-56.6129.5179.2-72.6-58.2000112I189 K217 C221 V223 P259 T304 T305 G309 L310I189-F307 HydrophobicContact CD1-CE2 3.86Å; I189-F307 HydrophobicContact CD1-CZ 4.46Å; I189-F307 HydrophobicContact CG2-CZ 4.2Å; K217-F307 HydrophobicContact CD-CZ 4.01Å; K217-F307 HydrophobicContact CG-CE1 3.82Å; K217-F307 HydrophobicContact CG-CZ 3.64Å; C221-F307 HydrophobicContact CB-CD1 4.15Å; C221-F307 HydrophobicContact CB-CE1 3.77Å; V223-F307 HydrophobicContact CG2-CB 4.08Å; P259-F307 HydrophobicContact CB-CD1 4.47Å; P259-F307 HydrophobicContact CB-CD2 3.76Å; P259-F307 HydrophobicContact CB-CE2 3.93Å; P259-F307 HydrophobicContact CB-CG 4.06Å; P259-F307 HydrophobicContact CB-CZ 4.39Å; P259-F307 HydrophobicContact CG-CD1 3.77Å; P259-F307 HydrophobicContact CG-CD2 3.88Å; P259-F307 HydrophobicContact CG-CE1 3.73Å; P259-F307 HydrophobicContact CG-CE2 3.82Å; P259-F307 HydrophobicContact CG-CG 3.87Å; P259-F307 HydrophobicContact CG-CZ 3.76Å; T304-F307 HydrophobicContact CG2-CD2 4.32Å; T304-F307 HydrophobicContact CG2-CE2 3.86Å; T304-F307 WeakPolarHBondContact O-CD2 3.22Å; T305-F307 PolarHBondContact O-N 3.28Å; F307-G309 PolarHBondContact O-N 2.97Å; F307-L310 HydrophobicContact CB-CB 4.28Å; F307-L310 HydrophobicContact CB-CD1 4.33Å; F307-L310 HydrophobicContact CD2-CD1 4.44Å; F307-L310 VanDerWaalsContact O-CB 3.28Å; F307-L310 WeakPolarHBondContact O-CB 3.44Å; F307-L310 PolarHBondContact O-N 3.27Å
308P89.4Confident92.6Very high80 Ų8029.4 Ų29.452%0.51916%0.164SC..THydrogen-bonded Turntrans-56.9136.3174.2-24.233.7000111.2V223 L310V223-P308 PolarHBondContact N-O 3.21Å; P308-L310 VanDerWaalsContact C-N 3.28Å; P308-L310 PolarHBondContact O-N 3.11Å
309G88.4Confident92.3Very high26 Ų2634.9 Ų34.927%0.26819%0.19SC..THydrogen-bonded Turntrans81.7-7.3179.800000115.5F307 R313F307-G309 PolarHBondContact O-N 2.97Å; G309-R313 VanDerWaalsContact O-CB 3.26Å; G309-R313 WeakPolarHBondContact O-CB 3.48Å; G309-R313 PolarHBondContact O-N 3.08Å
310L91.6Very high92.1Very high3 Ų340.9 Ų40.92%0.01623%0.226CC..Hα-helixtrans-64.5-44.9-178.7-174.7148.1000112.3V223 L262 F263 L300 F307 P308 D312 R313 L314V223-L310 HydrophobicContact CB-CB 4.41Å; V223-L310 HydrophobicContact CG2-CB 3.95Å; V223-L310 HydrophobicContact CG2-CD1 4.3Å; V223-L310 HydrophobicContact CG2-CG 4.39Å; L262-L310 HydrophobicContact CD1-CD1 4.02Å; F263-L310 HydrophobicContact CZ-CG 4.42Å; L300-L310 HydrophobicContact CD1-CD2 3.97Å; F307-L310 HydrophobicContact CB-CB 4.28Å; F307-L310 HydrophobicContact CB-CD1 4.33Å; F307-L310 HydrophobicContact CD2-CD1 4.44Å; F307-L310 VanDerWaalsContact O-CB 3.28Å; F307-L310 WeakPolarHBondContact O-CB 3.44Å; F307-L310 PolarHBondContact O-N 3.27Å; P308-L310 VanDerWaalsContact C-N 3.28Å; P308-L310 PolarHBondContact O-N 3.11Å; L310-D312 PolarHBondContact O-N 3.06Å; L310-R313 PolarHBondContact O-N 2.9Å; L310-L314 WeakPolarHBondContact O-CB 3.37Å; L310-L314 PolarHBondContact O-N 3Å
311Q92.8Very high91.8Very high66 Ų6644.1 Ų44.131%0.30824%0.244SC..Hα-helixtrans-57.4-50.9179.3172.5179-14.600111.2L300 L314 L315 I330L300-Q311 HydrophobicContact CD1-CB 4.02Å; L300-Q311 HydrophobicContact CD1-CG 4.44Å; Q311-L314 PolarHBondContact O-N 2.88Å; Q311-L315 PolarHBondContact O-N 3.16Å; Q311-I330 HydrophobicContact CG-CB 4.3Å; Q311-I330 HydrophobicContact CG-CG2 3.93Å; Q311-I330 PolarHBondContact NE2-O 3.46Å
312D91.4Very high91.4Very high68 Ų6844.6 Ų44.636%0.36425%0.248SC..Hα-helixtrans-73.2-35.6-174.3-51.9-49.7000112.4W225 L310 L314 L315 R316W225-D312 HydrophobicContact CE3-CB 3.9Å; W225-D312 HydrophobicContact CH2-CB 3.67Å; W225-D312 HydrophobicContact CZ3-CB 3.02Å; L310-D312 PolarHBondContact O-N 3.06Å; D312-L314 VanDerWaalsContact C-N 3.31Å; D312-L315 WeakPolarHBondContact O-CB 3.06Å; D312-L315 PolarHBondContact O-N 3.27Å; D312-R316 WeakPolarHBondContact O-CG 3.44Å; D312-R316 PolarHBondContact O-N 3.16Å; D312-R316 VanDerWaalsContact O-N 3.11Å
313R91.5Very high90.9Very high29 Ų2951 Ų5111%0.10927%0.273CS..Hα-helixtrans-60.1-44.8172175.359.6178.7-78.7-12.2110.7V223 S224 E260 F263 G309 L310 R316 E317V223-R313 HydrophobicContact CG1-CB 3.71Å; V223-R313 HydrophobicContact CG1-CG 3.73Å; S224-R313 PolarHBondContact O-NH1 2.79Å; E260-R313 IonicContact OE1-NH1 2.89Å; E260-R313 PolarHBondContact OE1-NH1 2.73Å; E260-R313 IonicContact OE2-CZ 2.63Å; E260-R313 IonicContact OE2-NH1 2.82Å; E260-R313 PolarHBondContact OE2-NH1 3.21Å; E260-R313 IonicContact OE2-NH2 2.78Å; E260-R313 PolarHBondContact OE2-NH2 2.49Å; F263-R313 HydrophobicContact CD1-CG 4.22Å; F263-R313 HydrophobicContact CD2-CG 4.48Å; F263-R313 HydrophobicContact CE1-CB 4.44Å; F263-R313 HydrophobicContact CE1-CG 3.63Å; F263-R313 HydrophobicContact CE2-CG 3.94Å; F263-R313 HydrophobicContact CZ-CB 3.97Å; F263-R313 HydrophobicContact CZ-CG 3.45Å; F263-R313 VanDerWaalsContact CZ-CG 3.45Å; G309-R313 VanDerWaalsContact O-CB 3.26Å; G309-R313 WeakPolarHBondContact O-CB 3.48Å; G309-R313 PolarHBondContact O-N 3.08Å; L310-R313 PolarHBondContact O-N 2.9Å; R313-R316 PolarHBondContact O-N 2.77Å; R313-E317 IonicContact CZ-OE1 3.33Å; R313-E317 IonicContact NE-OE1 2.74Å; R313-E317 PolarHBondContact NE-OE1 3.25Å; R313-E317 IonicContact NH2-OE1 3.02Å; R313-E317 PolarHBondContact NH2-OE1 3.42Å; R313-E317 PolarHBondContact O-N 2.94Å; R313-E317 VanDerWaalsContact O-N 3.13Å
314L93.4Very high90.3Very high0 Ų059 Ų590%030%0.3CS..Hα-helixtrans-63.5-43.3176.9-178.163.9000111.5F263 I275 L300 L310 Q311 D312 R316 E317 L318 I330F263-L314 HydrophobicContact CE1-CB 4.41Å; F263-L314 HydrophobicContact CE1-CD1 4.43Å; I275-L314 HydrophobicContact CG1-CD1 4.42Å; L300-L314 HydrophobicContact CD2-CD2 3.77Å; L310-L314 WeakPolarHBondContact O-CB 3.37Å; L310-L314 PolarHBondContact O-N 3Å; Q311-L314 PolarHBondContact O-N 2.88Å; D312-L314 VanDerWaalsContact C-N 3.31Å; L314-R316 VanDerWaalsContact C-N 3.34Å; L314-R316 PolarHBondContact O-N 3.44Å; L314-E317 PolarHBondContact O-N 3.36Å; L314-L318 HydrophobicContact CD1-CD1 4.08Å; L314-L318 HydrophobicContact CD1-CG 4.13Å; L314-L318 HydrophobicContact CG-CD1 3.9Å; L314-L318 HydrophobicContact CG-CG 4.35Å; L314-L318 WeakPolarHBondContact O-CB 3.34Å; L314-L318 VanDerWaalsContact O-CG 3.28Å; L314-L318 WeakPolarHBondContact O-CG 3.15Å; L314-L318 PolarHBondContact O-N 2.99Å; L314-I330 HydrophobicContact CB-CD1 4.14Å; L314-I330 HydrophobicContact CD2-CD1 4.05Å; L314-I330 HydrophobicContact CG-CD1 3.92Å
315L93.3Very high89.7Confident46 Ų4662.4 Ų62.424%0.24134%0.338CS..Hα-helixtrans-54.1-51.2177.5-176.461.4000111.2Q311 D312 L318 E319 I328 I330Q311-L315 PolarHBondContact O-N 3.16Å; D312-L315 WeakPolarHBondContact O-CB 3.06Å; D312-L315 PolarHBondContact O-N 3.27Å; L315-L318 PolarHBondContact O-N 3.35Å; L315-E319 WeakPolarHBondContact O-CG 3.5Å; L315-E319 PolarHBondContact O-N 2.77Å; L315-I328 HydrophobicContact CD1-CB 4.02Å; L315-I328 HydrophobicContact CD1-CG2 3.56Å; L315-I330 HydrophobicContact CB-CD1 3.81Å; L315-I330 HydrophobicContact CD1-CD1 4.11Å; L315-I330 HydrophobicContact CD1-CG1 4.24Å
316R90.6Very high89.3Confident105 Ų10563.9 Ų63.940%0.39635%0.347SS..Hα-helixtrans-63.9-43.8-179.2-73.5176156.8-138.2-8.4113.9W225 D312 R313 L314 L318 E319 V320W225-R316 VanDerWaalsContact CD1-NH1 3.26Å; D312-R316 WeakPolarHBondContact O-CG 3.44Å; D312-R316 PolarHBondContact O-N 3.16Å; D312-R316 VanDerWaalsContact O-N 3.11Å; R313-R316 PolarHBondContact O-N 2.77Å; L314-R316 VanDerWaalsContact C-N 3.34Å; L314-R316 PolarHBondContact O-N 3.44Å; R316-L318 PolarHBondContact O-N 3.08Å; R316-E319 PolarHBondContact O-N 2.87Å; R316-V320 WeakPolarHBondContact O-CG2 3.28Å; R316-V320 PolarHBondContact O-N 2.99Å; R316-V320 VanDerWaalsContact O-N 3.13Å
317E91.8Very high89.2Confident45 Ų4563.7 Ų63.721%0.2135%0.35CS..Hα-helixtrans-65.3-34.6177.4-73.3-165.1-168.700111.1F263 S276 R313 L314 V320 L321F263-E317 WeakPolarHBondContact CD1-OE2 3.36Å; S276-E317 WeakPolarHBondContact CB-OE2 3.41Å; S276-E317 PolarHBondContact OG-OE2 2.76Å; R313-E317 IonicContact CZ-OE1 3.33Å; R313-E317 IonicContact NE-OE1 2.74Å; R313-E317 PolarHBondContact NE-OE1 3.25Å; R313-E317 IonicContact NH2-OE1 3.02Å; R313-E317 PolarHBondContact NH2-OE1 3.42Å; R313-E317 PolarHBondContact O-N 2.94Å; R313-E317 VanDerWaalsContact O-N 3.13Å; L314-E317 PolarHBondContact O-N 3.36Å; E317-V320 PolarHBondContact O-N 3.45Å; E317-L321 WeakPolarHBondContact O-CB 3.39Å; E317-L321 WeakPolarHBondContact O-CD1 3.43Å; E317-L321 WeakPolarHBondContact O-CG 3.16Å; E317-L321 PolarHBondContact O-N 3.08Å; E317-L321 VanDerWaalsContact O-N 3.08Å
318L92.4Very high89.3Confident0 Ų064.5 Ų64.50%036%0.355CS..Hα-helixtrans-70.2-37.7173.9-69.2175.8000112.5A279 C280 I298 L314 L315 R316 V320 L321 A322 I328 I330A279-L318 HydrophobicContact CB-CD2 4.15Å; C280-L318 HydrophobicContact CB-CD2 4.22Å; I298-L318 HydrophobicContact CD1-CD1 3.5Å; I298-L318 VanDerWaalsContact CD1-CD1 3.5Å; L314-L318 HydrophobicContact CD1-CD1 4.08Å; L314-L318 HydrophobicContact CD1-CG 4.13Å; L314-L318 HydrophobicContact CG-CD1 3.9Å; L314-L318 HydrophobicContact CG-CG 4.35Å; L314-L318 WeakPolarHBondContact O-CB 3.34Å; L314-L318 VanDerWaalsContact O-CG 3.28Å; L314-L318 WeakPolarHBondContact O-CG 3.15Å; L314-L318 PolarHBondContact O-N 2.99Å; L315-L318 PolarHBondContact O-N 3.35Å; R316-L318 PolarHBondContact O-N 3.08Å; L318-V320 PolarHBondContact O-N 2.74Å; L318-L321 PolarHBondContact O-N 3.11Å; L318-L321 VanDerWaalsContact O-N 3.16Å; L318-A322 WeakPolarHBondContact O-CB 3.47Å; L318-A322 PolarHBondContact O-N 3.46Å; L318-I328 HydrophobicContact CB-CD1 3.99Å; L318-I328 HydrophobicContact CB-CG2 4.48Å; L318-I330 HydrophobicContact CD1-CD1 4.24Å
319E91.5Very high89.6Confident116 Ų11665.9 Ų65.954%0.54235%0.352SS..Hα-helixtrans-59.4-36.1173.6-74.6171.8166.300112.3L315 R316 I328L315-E319 WeakPolarHBondContact O-CG 3.5Å; L315-E319 PolarHBondContact O-N 2.77Å; R316-E319 PolarHBondContact O-N 2.87Å; E319-I328 HydrophobicContact CB-CD1 4.39Å; E319-I328 HydrophobicContact CG-CD1 3.94Å
320V90.9Very high89.9Confident126 Ų12665.4 Ų65.476%0.76434%0.344SS*.Hα-helixtrans-75.3-32.7176.5174.40000112.1R316 E317 L318R316-V320 WeakPolarHBondContact O-CG2 3.28Å; R316-V320 PolarHBondContact O-N 2.99Å; R316-V320 VanDerWaalsContact O-N 3.13Å; E317-V320 PolarHBondContact O-N 3.45Å; L318-V320 PolarHBondContact O-N 2.74Å
321L89.1Confident90Very high70 Ų7067.2 Ų67.237%0.36636%0.355SS..Hα-helixtrans-88.3-25.7-176.8-69.6172.7000113.6K277 C280 E317 L318K277-L321 HydrophobicContact CG-CD1 4.19Å; C280-L321 HydrophobicContact CB-CB 4.31Å; C280-L321 HydrophobicContact CB-CD1 4.27Å; E317-L321 WeakPolarHBondContact O-CB 3.39Å; E317-L321 WeakPolarHBondContact O-CD1 3.43Å; E317-L321 WeakPolarHBondContact O-CG 3.16Å; E317-L321 PolarHBondContact O-N 3.08Å; E317-L321 VanDerWaalsContact O-N 3.08Å; L318-L321 PolarHBondContact O-N 3.11Å; L318-L321 VanDerWaalsContact O-N 3.16Å
322A87.2Confident90Very high13 Ų1365.2 Ų65.211%0.10735%0.35CS..SBendtrans-80.2163.4179.500000111.6F295 L318 I328F295-A322 HydrophobicContact CD1-CB 4.41Å; F295-A322 HydrophobicContact CE1-CB 3.99Å; F295-A322 HydrophobicContact CZ-CB 4.11Å; L318-A322 WeakPolarHBondContact O-CB 3.47Å; L318-A322 PolarHBondContact O-N 3.46Å; A322-I328 HydrophobicContact CB-CD1 3.89Å
323F81.1Confident90Very high142 Ų14264 Ų6462%0.62335%0.347SS*.PPolyproline II helixtrans-65.9139.6173.6-68.1-84.1000110.5M284 G325 T326M284-F323 HydrophobicContact CE-CD2 4.03Å; M284-F323 HydrophobicContact CE-CE2 3.63Å; M284-F323 HydrophobicContact SD-CE2 4.1Å; F323-G325 PolarHBondContact O-N 3.43Å; F323-T326 WeakPolarHBondContact O-CB 3.02Å; F323-T326 PolarHBondContact O-N 3.24Å; F323-T326 VanDerWaalsContact O-N 3.08Å; F323-T326 PolarHBondContact O-OG1 3.25Å
324E79.3Confident89.9Confident205 Ų20567.4 Ų67.496%0.95837%0.373SS*.THydrogen-bonded Turntrans-52.5126.7178.3-72.2-173.9173.600110.9
325G79.3Confident89.6Confident83 Ų8371.7 Ų71.786%0.85640%0.396SS*.THydrogen-bonded Turntrans91.5-2.2179.400000115.6F323F323-G325 PolarHBondContact O-N 3.43Å
326T86.9Confident89.6Confident34 Ų3471 Ų7121%0.20939%0.389CS..  trans-68.7124.4174.1-47.90000110.1F295 F323 I328F295-T326 HydrophobicContact CB-CG2 3.67Å; F295-T326 HydrophobicContact CD2-CG2 3.89Å; F295-T326 HydrophobicContact CG-CG2 3.91Å; F323-T326 WeakPolarHBondContact O-CB 3.02Å; F323-T326 PolarHBondContact O-N 3.24Å; F323-T326 VanDerWaalsContact O-N 3.08Å; F323-T326 PolarHBondContact O-OG1 3.25Å; T326-I328 PolarHBondContact O-N 2.89Å
327P90Very high89.5Confident68 Ų6867.3 Ų67.344%0.44238%0.38SS..  trans-70.2119175.528.3-32.6000109.7F295 A296F295-P327 CarbonylContact C-O 3.45Å; A296-P327 WeakPolarHBondContact CA-O 3.31Å; A296-P327 PolarHBondContact N-O 2.88Å
328I94.1Very high89.6Confident30 Ų3068.7 Ų68.715%0.15438%0.384CS..  trans-109.2126.8175.9-57.2165.4000108.8F295 I298 L315 L318 E319 A322 T326 I330F295-I328 HydrophobicContact CB-CG1 4.45Å; F295-I328 HydrophobicContact CD1-CG1 4.23Å; F295-I328 WeakPolarHBondContact O-CA 3.25Å; I298-I328 HydrophobicContact CD1-CG2 4.18Å; L315-I328 HydrophobicContact CD1-CB 4.02Å; L315-I328 HydrophobicContact CD1-CG2 3.56Å; L318-I328 HydrophobicContact CB-CD1 3.99Å; L318-I328 HydrophobicContact CB-CG2 4.48Å; E319-I328 HydrophobicContact CB-CD1 4.39Å; E319-I328 HydrophobicContact CG-CD1 3.94Å; A322-I328 HydrophobicContact CB-CD1 3.89Å; T326-I328 PolarHBondContact O-N 2.89Å; I328-I330 HydrophobicContact CG2-CG1 4.39Å
329K94.3Very high89.6Confident108 Ų10868.9 Ų68.947%0.4739%0.385SS..  trans-134.1125.6172.4154.9-170.7169.9-129.50109.8F295 A296 D297 I298F295-K329 PolarHBondContact O-N 2.74Å; A296-K329 VanDerWaalsContact O-CB 3.25Å; A296-K329 WeakPolarHBondContact O-CB 3.23Å; D297-K329 IonicContact OD1-NZ 2.98Å; D297-K329 PolarHBondContact OD1-NZ 3.22Å; I298-K329 PolarHBondContact N-O 2.83Å
330I95.1Very high89.7Confident16 Ų1663.8 Ų63.88%0.08236%0.362CS..EExtended strand (participates in β ladder)trans-108.9121.1177.1-58.3176.6000108.3I298 L300 Q311 L314 L315 L318 I328I298-I330 HydrophobicContact CB-CG1 4.13Å; I298-I330 HydrophobicContact CD1-CG1 4.42Å; I298-I330 HydrophobicContact CG2-CG1 4.34Å; I298-I330 CarbonylContact O-C 3.16Å; I298-I330 WeakPolarHBondContact O-CA 3.32Å; L300-I330 HydrophobicContact CD1-CG2 3.84Å; L300-I330 HydrophobicContact CD2-CG2 4.2Å; L300-I330 HydrophobicContact CG-CG2 3.65Å; Q311-I330 HydrophobicContact CG-CB 4.3Å; Q311-I330 HydrophobicContact CG-CG2 3.93Å; Q311-I330 PolarHBondContact NE2-O 3.46Å; L314-I330 HydrophobicContact CB-CD1 4.14Å; L314-I330 HydrophobicContact CD2-CD1 4.05Å; L314-I330 HydrophobicContact CG-CD1 3.92Å; L315-I330 HydrophobicContact CB-CD1 3.81Å; L315-I330 HydrophobicContact CD1-CD1 4.11Å; L315-I330 HydrophobicContact CD1-CG1 4.24Å; L318-I330 HydrophobicContact CD1-CD1 4.24Å; I328-I330 HydrophobicContact CG2-CG1 4.39Å
331T93.9Very high89.9Confident42 Ų4257.8 Ų57.826%0.25833%0.325SS..EExtended strand (participates in β ladder)trans-100.5119.3176.1-54.90000108.9I298 L300I298-T331 PolarHBondContact O-N 3.41Å; L300-T331 PolarHBondContact N-O 3.22Å
332A92.8Very high90.2Very high24 Ų2456.3 Ų56.320%0.19832%0.318CS..  trans-125103.1175.300000109.6L300L300-A332 HydrophobicContact CB-CB 4.24Å; L300-A332 HydrophobicContact CD1-CB 4.07Å; L300-A332 HydrophobicContact CG-CB 4.45Å
333S91.1Very high90.5Very high43 Ų4355.7 Ų55.730%0.30131%0.313SS..  trans-67.5145173.1-177.40000110.3D335 R336S333-D335 PolarHBondContact O-N 3.27Å; S333-D335 PolarHBondContact OG-N 3.21Å; S333-R336 VanDerWaalsContact O-CB 3.22Å; S333-R336 WeakPolarHBondContact O-CB 3.49Å; S333-R336 VanDerWaalsContact O-CD 3.31Å; S333-R336 WeakPolarHBondContact O-CD 3.39Å; S333-R336 WeakPolarHBondContact O-CG 3.44Å; S333-R336 PolarHBondContact O-N 3.47Å; S333-R336 PolarHBondContact O-NH1 3.46Å
334P88.8Confident91.1Very high100 Ų10049 Ų4965%0.64928%0.283SS*.THydrogen-bonded Turntrans-58.6-37.8171.323.3-33.4000112R336P334-R336 PolarHBondContact O-N 2.98Å
335D88.6Confident91.8Very high90 Ų9039.4 Ų39.448%0.48124%0.239SC..THydrogen-bonded Turntrans-89.526.5-178.3-56.7-50.2000112.9S333 C337 Y338 I342S333-D335 PolarHBondContact O-N 3.27Å; S333-D335 PolarHBondContact OG-N 3.21Å; D335-C337 PolarHBondContact O-N 3.42Å; D335-C337 VanDerWaalsContact O-N 3.07Å; D335-Y338 PolarHBondContact O-N 3.29Å; D335-I342 HydrophobicContact CB-CD1 4.42Å
336R92.1Very high92.4Very high30 Ų3038.6 Ų38.611%0.11322%0.217CC..THydrogen-bonded Turntrans-66-11.9-17363.8-174.1172-89.67.8115.6S301 G302 T305 L306 S333 P334 Y338 S339S301-R336 PolarHBondContact OG-O 3.16Å; G302-R336 PolarHBondContact N-O 3.35Å; T305-R336 PolarHBondContact O-NE 2.92Å; T305-R336 VanDerWaalsContact O-NE 3.09Å; T305-R336 PolarHBondContact O-NH2 3.17Å; T305-R336 VanDerWaalsContact OG1-CD 3.28Å; T305-R336 WeakPolarHBondContact OG1-CD 3.36Å; T305-R336 PolarHBondContact OG1-NE 3.23Å; L306-R336 HydrophobicContact CD2-CG 3.78Å; L306-R336 HydrophobicContact CG-CG 4.46Å; S333-R336 VanDerWaalsContact O-CB 3.22Å; S333-R336 WeakPolarHBondContact O-CB 3.49Å; S333-R336 VanDerWaalsContact O-CD 3.31Å; S333-R336 WeakPolarHBondContact O-CD 3.39Å; S333-R336 WeakPolarHBondContact O-CG 3.44Å; S333-R336 PolarHBondContact O-N 3.47Å; S333-R336 PolarHBondContact O-NH1 3.46Å; P334-R336 PolarHBondContact O-N 2.98Å; R336-Y338 PolarHBondContact O-N 2.87Å; R336-S339 VanDerWaalsContact CA-OG 3.32Å; R336-S339 WeakPolarHBondContact CA-OG 3.22Å
337C90Very high92.6Very high28 Ų2838 Ų3819%0.18921%0.213CC..THydrogen-bonded Turntrans-68.7-19.3168.654.70000113.3L306 D335L306-C337 HydrophobicContact CD1-CB 4.02Å; D335-C337 PolarHBondContact O-N 3.42Å; D335-C337 VanDerWaalsContact O-N 3.07Å
338Y92.9Very high92.7Very high75 Ų7535.7 Ų35.729%0.29420%0.197SC..SBendtrans-114.74.2179.9-50.6-47.7000113.2K22 P31 V34 D335 R336 S340 W341 I342K22-Y338 HydrophobicContact CG-CD1 4.2Å; K22-Y338 HydrophobicContact CG-CE1 4.35Å; P31-Y338 HydrophobicContact CG-CD1 3.77Å; P31-Y338 HydrophobicContact CG-CE1 4.12Å; P31-Y338 HydrophobicContact CG-CG 4.01Å; V34-Y338 HydrophobicContact CG2-CE1 3.84Å; D335-Y338 PolarHBondContact O-N 3.29Å; R336-Y338 PolarHBondContact O-N 2.87Å; Y338-S340 VanDerWaalsContact C-N 3.32Å; Y338-S340 PolarHBondContact O-N 3.09Å; Y338-W341 WeakPolarHBondContact O-CB 3.32Å; Y338-W341 PolarHBondContact O-N 3.41Å; Y338-I342 WeakPolarHBondContact O-CG1 3.22Å; Y338-I342 PolarHBondContact O-N 2.68Å
339S93.6Very high92.5Very high3 Ų337.5 Ų37.52%0.02121%0.212CC..Hα-helixtrans-53.6-43.6-176-72.20000113.6A148 S301 R336 W341 I342 G343A148-S339 VanDerWaalsContact CB-O 3.23Å; A148-S339 WeakPolarHBondContact CB-O 3.37Å; S301-S339 WeakPolarHBondContact OG-CB 3.03Å; R336-S339 VanDerWaalsContact CA-OG 3.32Å; R336-S339 WeakPolarHBondContact CA-OG 3.22Å; S339-W341 VanDerWaalsContact C-N 3.3Å; S339-W341 PolarHBondContact O-N 3.43Å; S339-I342 PolarHBondContact O-N 3.24Å; S339-G343 PolarHBondContact O-N 2.81Å
340S93.1Very high92.2Very high9 Ų936.5 Ų36.56%0.06321%0.212CC..Hα-helixtrans-59.1-43.4177.654.20000111.9D15 Y338 G344D15-S340 PolarHBondContact OD1-OG 3.24Å; D15-S340 PolarHBondContact OD2-OG 3.39Å; D15-S340 VanDerWaalsContact OD2-OG 3.13Å; Y338-S340 VanDerWaalsContact C-N 3.32Å; Y338-S340 PolarHBondContact O-N 3.09Å; S340-G344 PolarHBondContact O-N 3.24Å; S340-G344 VanDerWaalsContact O-N 3.07Å
341W95.4Very high91.7Very high0 Ų041.1 Ų41.10%024%0.241CC..Hα-helixtrans-69.1-46.8179-172.493.5000111.9I13 D15 E28 G30 P31 Y338 S339 G343 G344 S345I13-W341 HydrophobicContact CB-CZ2 4.29Å; I13-W341 HydrophobicContact CD1-CZ2 4.26Å; I13-W341 HydrophobicContact CG2-CD2 4.45Å; I13-W341 HydrophobicContact CG2-CG 4.13Å; I13-W341 PolarHBondContact O-NE1 3.01Å; D15-W341 HydrophobicContact CB-CB 4.1Å; E28-W341 HydrophobicContact CB-CH2 4.09Å; G30-W341 VanDerWaalsContact C-CH2 3.45Å; G30-W341 VanDerWaalsContact O-CH2 3.25Å; G30-W341 WeakPolarHBondContact O-CH2 3.39Å; G30-W341 WeakPolarHBondContact O-CZ3 3.43Å; P31-W341 HydrophobicContact CB-CD2 3.88Å; P31-W341 HydrophobicContact CB-CE3 4.33Å; P31-W341 HydrophobicContact CB-CG 4.16Å; P31-W341 HydrophobicContact CB-CZ2 4.48Å; P31-W341 HydrophobicContact CG-CD2 4.43Å; Y338-W341 WeakPolarHBondContact O-CB 3.32Å; Y338-W341 PolarHBondContact O-N 3.41Å; S339-W341 VanDerWaalsContact C-N 3.3Å; S339-W341 PolarHBondContact O-N 3.43Å; W341-G343 VanDerWaalsContact C-N 3.3Å; W341-G343 PolarHBondContact O-N 3.21Å; W341-G344 WeakPolarHBondContact O-CA 3.41Å; W341-G344 PolarHBondContact O-N 3.04Å; W341-G344 VanDerWaalsContact O-N 3.14Å; W341-S345 PolarHBondContact O-N 2.93Å
342I94.5Very high91.4Very high40 Ų4043.9 Ų43.921%0.20526%0.258CS..Hα-helixtrans-60.2-43.9178.2-66.7168.3000110A148 D335 Y338 S339 G344 S345 V346A148-I342 HydrophobicContact CB-CB 4.18Å; A148-I342 HydrophobicContact CB-CG2 4.07Å; D335-I342 HydrophobicContact CB-CD1 4.42Å; Y338-I342 WeakPolarHBondContact O-CG1 3.22Å; Y338-I342 PolarHBondContact O-N 2.68Å; S339-I342 PolarHBondContact O-N 3.24Å; I342-G344 VanDerWaalsContact C-N 3.33Å; I342-G344 PolarHBondContact O-N 3.02Å; I342-S345 WeakPolarHBondContact O-CB 3.28Å; I342-S345 PolarHBondContact O-N 3.32Å; I342-S345 VanDerWaalsContact O-N 3.1Å; I342-V346 WeakPolarHBondContact O-CG2 3.47Å; I342-V346 PolarHBondContact O-N 2.74Å
343G93.3Very high91.1Very high0 Ų043.2 Ų43.20%025%0.25CS..Hα-helixtrans-61.5-41.9175.900000112.4G144 S339 W341 S345 V346 M347G144-G343 VanDerWaalsContact O-CA 3.28Å; G144-G343 WeakPolarHBondContact O-CA 3.33Å; S339-G343 PolarHBondContact O-N 2.81Å; W341-G343 VanDerWaalsContact C-N 3.3Å; W341-G343 PolarHBondContact O-N 3.21Å; G343-S345 VanDerWaalsContact C-N 3.31Å; G343-S345 PolarHBondContact O-N 3.3Å; G343-V346 PolarHBondContact O-N 2.85Å; G343-M347 WeakPolarHBondContact O-CB 3.33Å; G343-M347 WeakPolarHBondContact O-CG 3.26Å; G343-M347 PolarHBondContact O-N 3.5Å
344G93.1Very high90.9Very high0 Ų045.4 Ų45.40%025%0.254CS..Hα-helixtrans-55.4-46.1170.400000112.4F108 S340 W341 I342 V346 M347 T348F108-G344 VanDerWaalsContact CE1-CA 3.5Å; S340-G344 PolarHBondContact O-N 3.24Å; S340-G344 VanDerWaalsContact O-N 3.07Å; W341-G344 WeakPolarHBondContact O-CA 3.41Å; W341-G344 PolarHBondContact O-N 3.04Å; W341-G344 VanDerWaalsContact O-N 3.14Å; I342-G344 VanDerWaalsContact C-N 3.33Å; I342-G344 PolarHBondContact O-N 3.02Å; G344-V346 PolarHBondContact O-N 2.98Å; G344-M347 PolarHBondContact O-N 2.96Å; G344-T348 WeakPolarHBondContact O-CG2 3.25Å; G344-T348 PolarHBondContact O-N 3.48Å; G344-T348 PolarHBondContact O-OG1 3.49Å
345S94.4Very high90.8Very high5 Ų548.9 Ų48.94%0.03526%0.262CS..Hα-helixtrans-62.1-40.8178.9-173.80000112.6G27 E28 W341 I342 G343 T348 S349G27-S345 PolarHBondContact N-OG 3.35Å; E28-S345 PolarHBondContact O-OG 3.39Å; W341-S345 PolarHBondContact O-N 2.93Å; I342-S345 WeakPolarHBondContact O-CB 3.28Å; I342-S345 PolarHBondContact O-N 3.32Å; I342-S345 VanDerWaalsContact O-N 3.1Å; G343-S345 VanDerWaalsContact C-N 3.31Å; G343-S345 PolarHBondContact O-N 3.3Å; S345-T348 PolarHBondContact O-OG1 3.4Å; S345-S349 WeakPolarHBondContact O-CB 3.38Å; S345-S349 PolarHBondContact O-N 3.11Å; S345-S349 PolarHBondContact O-OG 3.36Å
346V92.4Very high90.8Very high66 Ų6648 Ų4840%0.426%0.256SS..Hα-helixtrans-65.9-49.3174.3174.70000110.4I342 G343 G344 T348 S349 L350I342-V346 WeakPolarHBondContact O-CG2 3.47Å; I342-V346 PolarHBondContact O-N 2.74Å; G343-V346 PolarHBondContact O-N 2.85Å; G344-V346 PolarHBondContact O-N 2.98Å; V346-T348 PolarHBondContact O-N 2.74Å; V346-S349 PolarHBondContact O-N 2.87Å; V346-L350 WeakPolarHBondContact O-CG 3.26Å; V346-L350 PolarHBondContact O-N 2.95Å
347M91.2Very high90.9Very high22 Ų2247 Ų4711%0.10825%0.252CS..Hα-helixtrans-58.5-49.7-178.6-72.5175.373.100112.2F108 C147 G343 G344 S349 L350 F353F108-M347 HydrophobicContact CZ-SD 4.33Å; C147-M347 HydrophobicContact CB-CG 4.22Å; C147-M347 HydrophobicContact CB-SD 4.3Å; C147-M347 VanDerWaalsContact SG-CG 3.52Å; G343-M347 WeakPolarHBondContact O-CB 3.33Å; G343-M347 WeakPolarHBondContact O-CG 3.26Å; G343-M347 PolarHBondContact O-N 3.5Å; G344-M347 PolarHBondContact O-N 2.96Å; M347-S349 PolarHBondContact O-N 3.22Å; M347-L350 WeakPolarHBondContact O-CB 3.3Å; M347-L350 PolarHBondContact O-N 3.27Å; M347-L350 VanDerWaalsContact O-N 3.11Å; M347-F353 HydrophobicContact CB-CD2 4.29Å; M347-F353 HydrophobicContact CB-CE2 4.31Å; M347-F353 HydrophobicContact CE-CD2 4.46Å; M347-F353 HydrophobicContact CE-CE2 3.91Å; M347-F353 WeakPolarHBondContact O-CB 3.4Å; M347-F353 VanDerWaalsContact O-CG 3.31Å; M347-F353 WeakPolarHBondContact O-CG 3.32Å
348T92.1Very high91.1Very high18 Ų1845.7 Ų45.711%0.1124%0.243CC..Hα-helixtrans-67.7-22.2-178.250.60000113.2A11 S26 F108 G344 S345 V346 L350 F353 W357A11-T348 HydrophobicContact CB-CG2 4.25Å; S26-T348 VanDerWaalsContact CB-OG1 3.31Å; S26-T348 WeakPolarHBondContact CB-OG1 3.49Å; S26-T348 WeakPolarHBondContact OG-CB 3.33Å; S26-T348 PolarHBondContact OG-OG1 3.13Å; F108-T348 HydrophobicContact CB-CG2 3.78Å; F108-T348 HydrophobicContact CD2-CG2 3.36Å; F108-T348 HydrophobicContact CE2-CG2 4.07Å; F108-T348 HydrophobicContact CG-CG2 3.78Å; G344-T348 WeakPolarHBondContact O-CG2 3.25Å; G344-T348 PolarHBondContact O-N 3.48Å; G344-T348 PolarHBondContact O-OG1 3.49Å; S345-T348 PolarHBondContact O-OG1 3.4Å; V346-T348 PolarHBondContact O-N 2.74Å; T348-L350 VanDerWaalsContact C-N 3.32Å; T348-F353 HydrophobicContact CG2-CD1 4.17Å; T348-F353 HydrophobicContact CG2-CE1 3.76Å; T348-F353 HydrophobicContact CG2-CZ 4.38Å; T348-W357 HydrophobicContact CG2-CH2 3.94Å; T348-W357 HydrophobicContact CG2-CZ2 3.9Å
349S89.9Confident91.1Very high68 Ų6843 Ų4348%0.47624%0.235SC..Hα-helixtrans-79.5-13176-58.50000113.2S26 S345 V346 M347S26-S349 PolarHBondContact OG-OG 3.33Å; S345-S349 WeakPolarHBondContact O-CB 3.38Å; S345-S349 PolarHBondContact O-N 3.11Å; S345-S349 PolarHBondContact O-OG 3.36Å; V346-S349 PolarHBondContact O-N 2.87Å; M347-S349 PolarHBondContact O-N 3.22Å
350L88.3Confident91.1Very high88 Ų8844 Ų4446%0.46124%0.243SC..SBendtrans-75.2136.1177.5-61.6174.3000111.2V346 M347 T348 T352 F353V346-L350 WeakPolarHBondContact O-CG 3.26Å; V346-L350 PolarHBondContact O-N 2.95Å; M347-L350 WeakPolarHBondContact O-CB 3.3Å; M347-L350 PolarHBondContact O-N 3.27Å; M347-L350 VanDerWaalsContact O-N 3.11Å; T348-L350 VanDerWaalsContact C-N 3.32Å; L350-T352 VanDerWaalsContact C-N 3.26Å; L350-T352 PolarHBondContact O-N 3.13Å; L350-F353 HydrophobicContact CB-CB 4.27Å; L350-F353 WeakPolarHBondContact O-CB 3.49Å; L350-F353 PolarHBondContact O-N 3.3Å; L350-F353 VanDerWaalsContact O-N 3.12Å
351T84.9Confident91Very high113 Ų11348.2 Ų48.269%0.69326%0.262SS*.G310 helixtrans-64-32.4177.652.70000112.7F353 K354T351-F353 VanDerWaalsContact C-N 3.26Å; T351-F353 PolarHBondContact O-N 2.89Å; T351-K354 PolarHBondContact O-N 2.79Å
352T86.4Confident90.9Very high100 Ų10049.7 Ų49.761%0.61327%0.27SS*.G310 helixtrans-67.2-26.3176.553.30000112.7L350 K354 Q355L350-T352 VanDerWaalsContact C-N 3.26Å; L350-T352 PolarHBondContact O-N 3.13Å; T352-K354 PolarHBondContact O-N 2.92Å; T352-Q355 PolarHBondContact O-N 2.81Å
353F87.3Confident90.8Very high10 Ų1049 Ų494%0.04427%0.265CS..G310 helixtrans-68.1-18.8-178.8-167.2-98.7000113F108 Y137 M347 T348 L350 T351 Q355 M356 W357F108-F353 HydrophobicContact CD2-CE1 4.17Å; F108-F353 AromaticContact CD2-CZ 3.81Å; F108-F353 HydrophobicContact CD2-CZ 3.81Å; F108-F353 HydrophobicContact CE2-CE1 4.47Å; F108-F353 HydrophobicContact CE2-CE2 4.35Å; F108-F353 AromaticContact CE2-CZ 3.74Å; F108-F353 HydrophobicContact CE2-CZ 3.74Å; Y137-F353 HydrophobicContact CD1-CE2 4.15Å; Y137-F353 AromaticContact CD1-CZ 3.54Å; Y137-F353 HydrophobicContact CD1-CZ 3.54Å; Y137-F353 HydrophobicContact CD2-CE2 4.46Å; Y137-F353 AromaticContact CD2-CZ 3.96Å; Y137-F353 HydrophobicContact CD2-CZ 3.96Å; Y137-F353 HydrophobicContact CE1-CE2 4Å; Y137-F353 AromaticContact CE1-CZ 3.88Å; Y137-F353 HydrophobicContact CE1-CZ 3.88Å; Y137-F353 HydrophobicContact CE2-CE2 4.35Å; Y137-F353 HydrophobicContact CE2-CZ 4.29Å; Y137-F353 HydrophobicContact CG-CE1 4.36Å; Y137-F353 HydrophobicContact CG-CE2 4.35Å; Y137-F353 AromaticContact CG-CZ 3.56Å; Y137-F353 HydrophobicContact CG-CZ 3.56Å; M347-F353 HydrophobicContact CB-CD2 4.29Å; M347-F353 HydrophobicContact CB-CE2 4.31Å; M347-F353 HydrophobicContact CE-CD2 4.46Å; M347-F353 HydrophobicContact CE-CE2 3.91Å; M347-F353 WeakPolarHBondContact O-CB 3.4Å; M347-F353 VanDerWaalsContact O-CG 3.31Å; M347-F353 WeakPolarHBondContact O-CG 3.32Å; T348-F353 HydrophobicContact CG2-CD1 4.17Å; T348-F353 HydrophobicContact CG2-CE1 3.76Å; T348-F353 HydrophobicContact CG2-CZ 4.38Å; L350-F353 HydrophobicContact CB-CB 4.27Å; L350-F353 WeakPolarHBondContact O-CB 3.49Å; L350-F353 PolarHBondContact O-N 3.3Å; L350-F353 VanDerWaalsContact O-N 3.12Å; T351-F353 VanDerWaalsContact C-N 3.26Å; T351-F353 PolarHBondContact O-N 2.89Å; F353-Q355 PolarHBondContact O-N 3.1Å; F353-M356 HydrophobicContact CD2-CB 4.1Å; F353-M356 HydrophobicContact CD2-CG 4.14Å; F353-M356 HydrophobicContact CE2-CB 4.04Å; F353-M356 HydrophobicContact CE2-CG 4.4Å; F353-M356 HydrophobicContact CZ-CB 4.4Å; F353-M356 WeakPolarHBondContact O-CB 2.97Å; F353-M356 PolarHBondContact O-N 2.55Å; F353-W357 AromaticContact CD1-CE2 3.82Å; F353-W357 AromaticContact CD1-CZ2 3.98Å; F353-W357 HydrophobicContact CD1-CZ2 3.98Å; F353-W357 AromaticContact CD1-NE1 3.73Å; F353-W357 HydrophobicContact CE1-CD2 4.11Å; F353-W357 AromaticContact CE1-CE2 3.62Å; F353-W357 HydrophobicContact CE1-CE3 4.5Å; F353-W357 HydrophobicContact CE1-CH2 4.05Å; F353-W357 AromaticContact CE1-CZ2 3.61Å; F353-W357 HydrophobicContact CE1-CZ2 3.61Å; F353-W357 HydrophobicContact CE1-CZ3 4.46Å; F353-W357 AromaticContact CE1-NE1 3.99Å
354K86Confident90.8Very high88 Ų8857.4 Ų57.438%0.38330%0.301SS..G310 helixtrans-56.6-26.7178.9-68.6-175.9-177.5-179.40113.7D8 T351 T352D8-K354 WeakPolarHBondContact OD1-CE 3.23Å; D8-K354 IonicContact OD1-NZ 3.48Å; D8-K354 PolarHBondContact OD1-NZ 3Å; T351-K354 PolarHBondContact O-N 2.79Å; T352-K354 PolarHBondContact O-N 2.92Å
355Q86.4Confident90.9Very high173 Ų17363.7 Ų63.781%0.80833%0.331SS*.G310 helixtrans-82.2-17.5179-62.1-179.9-100113.3T352 F353T352-Q355 PolarHBondContact O-N 2.81Å; F353-Q355 PolarHBondContact O-N 3.1Å
356M89.8Confident90.8Very high73 Ų7368.6 Ų68.636%0.3635%0.349SS..THydrogen-bonded Turntrans-82.5-20.9-176-61.8-61.2-70.900112.8Y137 F353 V358Y137-M356 HydrophobicContact CD2-CB 4.18Å; Y137-M356 WeakPolarHBondContact CD2-O 3.31Å; Y137-M356 HydrophobicContact CE2-CB 3.92Å; Y137-M356 HydrophobicContact CE2-CE 4.2Å; F353-M356 HydrophobicContact CD2-CB 4.1Å; F353-M356 HydrophobicContact CD2-CG 4.14Å; F353-M356 HydrophobicContact CE2-CB 4.04Å; F353-M356 HydrophobicContact CE2-CG 4.4Å; F353-M356 HydrophobicContact CZ-CB 4.4Å; F353-M356 WeakPolarHBondContact O-CB 2.97Å; F353-M356 PolarHBondContact O-N 2.55Å; M356-V358 PolarHBondContact O-N 2.77Å
357W93Very high90.8Very high8 Ų866.8 Ų66.83%0.0334%0.344CS..PPolyproline II helixtrans-56.6136.1179.4-69.3111.2000112.2L7 A11 P106 V107 F108 A135 T348 F353 K374L7-W357 HydrophobicContact CD2-CB 4.27Å; L7-W357 HydrophobicContact CD2-CD2 4.46Å; L7-W357 HydrophobicContact CD2-CG 3.93Å; A11-W357 HydrophobicContact CB-CH2 3.68Å; A11-W357 HydrophobicContact CB-CZ2 3.9Å; P106-W357 HydrophobicContact CB-CE3 4.43Å; P106-W357 HydrophobicContact CB-CH2 4Å; P106-W357 HydrophobicContact CB-CZ2 4.13Å; P106-W357 HydrophobicContact CB-CZ3 4.16Å; V107-W357 WeakPolarHBondContact O-CZ3 3.36Å; F108-W357 HydrophobicContact CB-CH2 4.06Å; F108-W357 HydrophobicContact CB-CZ3 4.45Å; A135-W357 HydrophobicContact CB-CB 4.09Å; A135-W357 HydrophobicContact CB-CD2 4.25Å; A135-W357 HydrophobicContact CB-CE3 4.06Å; A135-W357 HydrophobicContact CB-CG 4.29Å; T348-W357 HydrophobicContact CG2-CH2 3.94Å; T348-W357 HydrophobicContact CG2-CZ2 3.9Å; F353-W357 AromaticContact CD1-CE2 3.82Å; F353-W357 AromaticContact CD1-CZ2 3.98Å; F353-W357 HydrophobicContact CD1-CZ2 3.98Å; F353-W357 AromaticContact CD1-NE1 3.73Å; F353-W357 HydrophobicContact CE1-CD2 4.11Å; F353-W357 AromaticContact CE1-CE2 3.62Å; F353-W357 HydrophobicContact CE1-CE3 4.5Å; F353-W357 HydrophobicContact CE1-CH2 4.05Å; F353-W357 AromaticContact CE1-CZ2 3.61Å; F353-W357 HydrophobicContact CE1-CZ2 3.61Å; F353-W357 HydrophobicContact CE1-CZ3 4.46Å; F353-W357 AromaticContact CE1-NE1 3.99Å; W357-K374 PolarHBondContact O-NZ 3.36Å
358V94.4Very high90.8Very high1 Ų166.7 Ų66.71%0.00635%0.347CS..EExtended strand (participates in β ladder)trans-82.5119159.9179.10000106.6F128 A135 L136 M356 D362 V370 K374F128-V358 HydrophobicContact CE2-CG1 3.9Å; F128-V358 HydrophobicContact CZ-CB 4.45Å; F128-V358 HydrophobicContact CZ-CG1 3.97Å; F128-V358 WeakPolarHBondContact CZ-O 3.4Å; A135-V358 CarbonylContact C-O 3.46Å; A135-V358 WeakPolarHBondContact CA-O 3.27Å; A135-V358 WeakPolarHBondContact CB-O 3.35Å; L136-V358 PolarHBondContact N-O 2.93Å; L136-V358 VanDerWaalsContact O-CB 3.32Å; L136-V358 WeakPolarHBondContact O-CB 3.39Å; L136-V358 PolarHBondContact O-N 3.09Å; M356-V358 PolarHBondContact O-N 2.77Å; V358-D362 HydrophobicContact CG1-CB 4.36Å; V358-V370 HydrophobicContact CG1-CG1 3.36Å; V358-V370 HydrophobicContact CG1-CG2 4.39Å; V358-K374 HydrophobicContact CG2-CB 3.91Å; V358-K374 HydrophobicContact CG2-CD 3.97Å
359T94.3Very high90.7Very high19 Ų1970.3 Ų70.312%0.11736%0.362CS..EExtended strand (participates in β ladder)trans-92161178.965.20000111.5F2 E361 D362 F363F2-T359 HydrophobicContact CE1-CG2 3.89Å; F2-T359 HydrophobicContact CE2-CG2 4.24Å; F2-T359 HydrophobicContact CZ-CG2 3.64Å; T359-E361 PolarHBondContact O-N 3.26Å; T359-D362 PolarHBondContact N-OD2 2.89Å; T359-D362 WeakPolarHBondContact O-CB 3.31Å; T359-D362 PolarHBondContact O-N 3.35Å; T359-D362 VanDerWaalsContact O-N 3.15Å; T359-D362 PolarHBondContact OG1-N 2.94Å; T359-D362 VanDerWaalsContact OG1-N 3.15Å; T359-D362 PolarHBondContact OG1-OD2 3.4Å; T359-F363 PolarHBondContact O-N 2.89Å
360A92.7Very high90.8Very high22 Ų2267.4 Ų67.418%0.18234%0.341CS..Hα-helixtrans-61.5-23172.400000113F128 P134 K364F128-A360 HydrophobicContact CD1-CB 3.95Å; F128-A360 HydrophobicContact CE1-CB 3.95Å; P134-A360 PolarHBondContact O-N 2.68Å; A360-K364 VanDerWaalsContact O-CG 3.28Å; A360-K364 WeakPolarHBondContact O-CG 3.49Å; A360-K364 PolarHBondContact O-N 2.84Å
361E91.9Very high90.9Very high99 Ų9963.2 Ų63.246%0.46332%0.319SS..Hα-helixtrans-74-45.7172.8-67.5-175.1169.100110.8F2 T359 F363 K364 E365F2-E361 HydrophobicContact CB-CG 3.82Å; F2-E361 WeakPolarHBondContact CB-OE1 3.31Å; F2-E361 PolarHBondContact N-OE1 3.48Å; T359-E361 PolarHBondContact O-N 3.26Å; E361-F363 VanDerWaalsContact C-N 3.28Å; E361-F363 PolarHBondContact O-N 3.02Å; E361-K364 PolarHBondContact O-N 3.17Å; E361-K364 VanDerWaalsContact O-N 3.13Å; E361-E365 PolarHBondContact O-N 2.98Å; E361-E365 VanDerWaalsContact O-N 3.1Å
362D91.8Very high91.1Very high31 Ų3159.3 Ų59.317%0.16629%0.293CS..Hα-helixtrans-56.8-43.1173.9-62.7-47.3000111.6V358 T359 K364 E365 Y366 V370 K374V358-D362 HydrophobicContact CG1-CB 4.36Å; T359-D362 PolarHBondContact N-OD2 2.89Å; T359-D362 WeakPolarHBondContact O-CB 3.31Å; T359-D362 PolarHBondContact O-N 3.35Å; T359-D362 VanDerWaalsContact O-N 3.15Å; T359-D362 PolarHBondContact OG1-N 2.94Å; T359-D362 VanDerWaalsContact OG1-N 3.15Å; T359-D362 PolarHBondContact OG1-OD2 3.4Å; D362-K364 PolarHBondContact O-N 2.84Å; D362-E365 PolarHBondContact O-N 3.43Å; D362-Y366 WeakPolarHBondContact O-CD2 3.45Å; D362-Y366 PolarHBondContact O-N 3.19Å; D362-V370 HydrophobicContact CB-CG2 4.1Å; D362-K374 IonicContact OD1-NZ 2.85Å; D362-K374 IonicContact OD2-NZ 3.75Å; D362-K374 PolarHBondContact OD2-NZ 3.29Å
363F93.9Very high91Very high24 Ų2461.4 Ų61.411%0.10529%0.289CS..Hα-helixtrans-64.3-38.1178.2177.8-100.5000112.5T124 F128 E129 T359 E361 E365 G367 A368T124-F363 HydrophobicContact CG2-CD2 3.79Å; T124-F363 HydrophobicContact CG2-CE2 3.97Å; F128-F363 HydrophobicContact CB-CD1 3.62Å; F128-F363 HydrophobicContact CB-CD2 4.41Å; F128-F363 HydrophobicContact CB-CE1 3.74Å; F128-F363 HydrophobicContact CB-CG 3.98Å; F128-F363 HydrophobicContact CB-CZ 4.2Å; F128-F363 HydrophobicContact CD1-CB 4.48Å; F128-F363 HydrophobicContact CD2-CB 3.76Å; F128-F363 HydrophobicContact CD2-CD1 4.11Å; F128-F363 AromaticContact CD2-CD2 3.59Å; F128-F363 HydrophobicContact CD2-CD2 3.59Å; F128-F363 HydrophobicContact CD2-CE2 4.19Å; F128-F363 AromaticContact CD2-CG 3.53Å; F128-F363 HydrophobicContact CD2-CG 3.53Å; F128-F363 HydrophobicContact CE2-CB 3.93Å; F128-F363 HydrophobicContact CE2-CD2 4.23Å; F128-F363 HydrophobicContact CE2-CG 4.18Å; F128-F363 HydrophobicContact CG-CB 4.06Å; F128-F363 AromaticContact CG-CD1 3.94Å; F128-F363 HydrophobicContact CG-CD1 3.94Å; F128-F363 HydrophobicContact CG-CD2 4.27Å; F128-F363 HydrophobicContact CG-CE1 4.49Å; F128-F363 AromaticContact CG-CG 3.82Å; F128-F363 HydrophobicContact CG-CG 3.82Å; F128-F363 HydrophobicContact CZ-CB 4.39Å; E129-F363 HydrophobicContact CG-CE1 4.02Å; E129-F363 HydrophobicContact CG-CZ 4.17Å; T359-F363 PolarHBondContact O-N 2.89Å; E361-F363 VanDerWaalsContact C-N 3.28Å; E361-F363 PolarHBondContact O-N 3.02Å; F363-E365 VanDerWaalsContact C-N 3.32Å; F363-E365 PolarHBondContact O-N 3.31Å; F363-G367 WeakPolarHBondContact O-CA 3.24Å; F363-G367 PolarHBondContact O-N 3.49Å; F363-A368 HydrophobicContact CE2-CB 3.99Å
364K93.4Very high90.9Very high177 Ų17763.8 Ų63.877%0.7730%0.3SS*.Hα-helixtrans-68.8-31.9177.1-75.5171.4-175.5177.40112.7A360 E361 D362A360-K364 VanDerWaalsContact O-CG 3.28Å; A360-K364 WeakPolarHBondContact O-CG 3.49Å; A360-K364 PolarHBondContact O-N 2.84Å; E361-K364 PolarHBondContact O-N 3.17Å; E361-K364 VanDerWaalsContact O-N 3.13Å; D362-K364 PolarHBondContact O-N 2.84Å
365E94Very high90.7Very high132 Ų13259.6 Ų59.662%0.61728%0.282SS*.Hα-helixtrans-81.5-44.9-179.1-171.5179.9164.500112.3E361 D362 F363E361-E365 PolarHBondContact O-N 2.98Å; E361-E365 VanDerWaalsContact O-N 3.1Å; D362-E365 PolarHBondContact O-N 3.43Å; F363-E365 VanDerWaalsContact C-N 3.32Å; F363-E365 PolarHBondContact O-N 3.31Å
366Y92.5Very high89.9Confident108 Ų10858.9 Ų58.942%0.42428%0.276SS..Hα-helixtrans-109.2-5.6-171.2-62.1-76.4000114.2D362D362-Y366 WeakPolarHBondContact O-CD2 3.45Å; D362-Y366 PolarHBondContact O-N 3.19Å
367G93.2Very high89.9Confident29 Ų2958.2 Ų58.230%0.29927%0.272SS..  trans68.5-164.2-17400000113.1F363 F369 V370F363-G367 WeakPolarHBondContact O-CA 3.24Å; F363-G367 PolarHBondContact O-N 3.49Å; G367-F369 PolarHBondContact O-N 3.27Å; G367-V370 VanDerWaalsContact O-CG1 3.3Å; G367-V370 WeakPolarHBondContact O-CG1 3.41Å; G367-V370 PolarHBondContact O-N 3.1Å
368A90.1Very high89.7Confident20 Ų2060.8 Ų60.817%0.16529%0.285CS..THydrogen-bonded Turntrans-62.4-24.2-17900000113.9E121 F363 V370 V371E121-A368 HydrophobicContact CB-CB 3.77Å; E121-A368 HydrophobicContact CG-CB 4.05Å; F363-A368 HydrophobicContact CE2-CB 3.99Å; A368-V370 PolarHBondContact O-N 3.06Å; A368-V370 VanDerWaalsContact O-N 3.1Å; A368-V371 WeakPolarHBondContact O-CG1 3.48Å; A368-V371 PolarHBondContact O-N 2.56Å
369F91Very high89.4Confident94 Ų9464.2 Ų64.241%0.41230%0.3SS..THydrogen-bonded Turntrans-61.3-21.3-178.8-177.4-105.9000113.6G367 V371 Q372 R373G367-F369 PolarHBondContact O-N 3.27Å; F369-V371 PolarHBondContact O-N 3Å; F369-V371 VanDerWaalsContact O-N 3.13Å; F369-Q372 HydrophobicContact CD2-CB 4.36Å; F369-Q372 HydrophobicContact CD2-CG 4.13Å; F369-Q372 HydrophobicContact CE2-CB 4.18Å; F369-Q372 HydrophobicContact CE2-CG 4.25Å; F369-Q372 WeakPolarHBondContact O-CB 3.47Å; F369-Q372 PolarHBondContact O-N 3.37Å; F369-R373 HydrophobicContact CE1-CG 4.09Å
370V91.6Very high89.2Confident6 Ų666.8 Ų66.84%0.03631%0.311CS..Hα-helixtrans-57-30.7-179.570.70000113.3V358 D362 G367 A368 Q372 R373 K374V358-V370 HydrophobicContact CG1-CG1 3.36Å; V358-V370 HydrophobicContact CG1-CG2 4.39Å; D362-V370 HydrophobicContact CB-CG2 4.1Å; G367-V370 VanDerWaalsContact O-CG1 3.3Å; G367-V370 WeakPolarHBondContact O-CG1 3.41Å; G367-V370 PolarHBondContact O-N 3.1Å; A368-V370 PolarHBondContact O-N 3.06Å; A368-V370 VanDerWaalsContact O-N 3.1Å; V370-Q372 PolarHBondContact O-N 2.74Å; V370-R373 PolarHBondContact O-N 3.32Å; V370-K374 PolarHBondContact O-N 2.99Å; V370-K374 VanDerWaalsContact O-N 3.17Å
371V90.4Very high88.9Confident0 Ų069.6 Ų69.60%032%0.319CS..Hα-helixtrans-62.4-32.6178.777.30000111.6R120 L138 A368 F369 R373 C375R120-V371 HydrophobicContact CB-CG1 4.05Å; L138-V371 HydrophobicContact CB-CG2 4.31Å; L138-V371 HydrophobicContact CD1-CG2 3.61Å; L138-V371 HydrophobicContact CG-CG2 3.82Å; A368-V371 WeakPolarHBondContact O-CG1 3.48Å; A368-V371 PolarHBondContact O-N 2.56Å; F369-V371 PolarHBondContact O-N 3Å; F369-V371 VanDerWaalsContact O-N 3.13Å; V371-R373 PolarHBondContact O-N 2.89Å; V371-C375 HydrophobicContact CG2-CB 4.09Å; V371-C375 VanDerWaalsContact O-CB 3.27Å; V371-C375 WeakPolarHBondContact O-CB 3.42Å; V371-C375 PolarHBondContact O-N 3.2Å
372Q88.1Confident88.7Confident31 Ų3167.7 Ų67.715%0.14531%0.309CS..Hα-helixtrans-71.5-20.5178.1-54.6-60.4-16.800113R117 F369 V370R117-Q372 PolarHBondContact O-NE2 3.49Å; F369-Q372 HydrophobicContact CD2-CB 4.36Å; F369-Q372 HydrophobicContact CD2-CG 4.13Å; F369-Q372 HydrophobicContact CE2-CB 4.18Å; F369-Q372 HydrophobicContact CE2-CG 4.25Å; F369-Q372 WeakPolarHBondContact O-CB 3.47Å; F369-Q372 PolarHBondContact O-N 3.37Å; V370-Q372 PolarHBondContact O-N 2.74Å
373R84.7Confident88.5Confident145 Ų14570.3 Ų70.355%0.54732%0.32SS..Hα-helixtrans-91.1-32.7179.4-69.7-175.3172.4172.62.4112.9F369 V370 V371 F376F369-R373 HydrophobicContact CE1-CG 4.09Å; V370-R373 PolarHBondContact O-N 3.32Å; V371-R373 PolarHBondContact O-N 2.89Å; R373-F376 VanDerWaalsContact O-CE2 3.27Å; R373-F376 WeakPolarHBondContact O-CE2 3.31Å; R373-F376 WeakPolarHBondContact O-CZ 3.43Å
374K84.9Confident88.1Confident60 Ų6073.8 Ų73.826%0.26134%0.336SS..Hα-helixtrans-100.4-26.9-175.3-76.6-170.3167.1-173.90113.6W357 V358 D362 V370W357-K374 PolarHBondContact O-NZ 3.36Å; V358-K374 HydrophobicContact CG2-CB 3.91Å; V358-K374 HydrophobicContact CG2-CD 3.97Å; D362-K374 IonicContact OD1-NZ 2.85Å; D362-K374 IonicContact OD2-NZ 3.75Å; D362-K374 PolarHBondContact OD2-NZ 3.29Å; V370-K374 PolarHBondContact O-N 2.99Å; V370-K374 VanDerWaalsContact O-N 3.17Å
375C82.7Confident87.7Confident0 Ų065.3 Ų65.30%030%0.3CS..  trans-110.4113.3-178.2-57.90000110.4R120 Y137 L138 V371R120-C375 PolarHBondContact NH1-O 3.15Å; R120-C375 VanDerWaalsContact NH2-CB 3.29Å; R120-C375 PolarHBondContact NH2-O 3.15Å; Y137-C375 VanDerWaalsContact CD2-SG 3.56Å; Y137-C375 HydrophobicContact CE2-CB 4.47Å; L138-C375 HydrophobicContact CB-CB 4.29Å; L138-C375 PolarHBondContact N-SG 3.12Å; L138-C375 WeakPolarHBondContact O-CB 3.47Å; V371-C375 HydrophobicContact CG2-CB 4.09Å; V371-C375 VanDerWaalsContact O-CB 3.27Å; V371-C375 WeakPolarHBondContact O-CB 3.42Å; V371-C375 PolarHBondContact O-N 3.2Å
376F68.9Low87.1Confident158 Ų15859.2 Ų59.269%0.69327%0.271SS*.  trans-105.10-176.7-64.5-76.6000113.3R373R373-F376 VanDerWaalsContact O-CE2 3.27Å; R373-F376 WeakPolarHBondContact O-CE2 3.31Å; R373-F376 WeakPolarHBondContact O-CZ 3.43Å

Retrieved 376 of 376 residues in 200.1 ms (Link to these results)