A0A096LNJ4_HUMAN Loading...

UDP-N-acetylglucosamine transferase subunit ALG13

AlphaFold DB , UniProt , Accession A0A096LNJ4, Species HUMAN (Homo sapiens, Human), Gene ALG13, Length 132 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
1M79.3Confident90.9Very high183 Ų18342.4 Ų42.490%0.90123%0.229SC*.  0126.90-65.7-172.876.500106.5N35M1-N35 WeakPolarHBondContact CA-ND2 3.3Å; M1-N35 VanDerWaalsContact CA-OD1 3.31Å; M1-N35 WeakPolarHBondContact CA-OD1 3.36Å; M1-N35 WeakPolarHBondContact CB-ND2 3.46Å; M1-N35 VanDerWaalsContact CB-OD1 3.29Å; M1-N35 WeakPolarHBondContact CB-OD1 3.47Å; M1-N35 WeakPolarHBondContact CG-ND2 3.32Å
2K94.5Very high90.5Very high107 Ų10741.9 Ų41.947%0.46523%0.232SC..  trans-99.4128.3-178.1-80-173.9178.6-179.60110.3Y34 N35 R36 D75K2-Y34 HydrophobicContact CB-CD1 3.69Å; K2-Y34 HydrophobicContact CB-CE1 4.26Å; K2-Y34 HydrophobicContact CB-CG 4.31Å; K2-Y34 WeakPolarHBondContact O-CA 3.4Å; K2-N35 PolarHBondContact N-OD1 2.79Å; K2-N35 PolarHBondContact O-N 2.95Å; K2-N35 PolarHBondContact O-OD1 3.28Å; K2-N35 VanDerWaalsContact O-OD1 3.06Å; K2-R36 PolarHBondContact O-N 3.35Å; K2-D75 WeakPolarHBondContact CA-OD2 3.33Å
3C96.5Very high90.4Very high11 Ų1139.2 Ų39.27%0.07422%0.216CC..EExtended strand (participates in β ladder)trans-115130.3-172.6-169.50000112.3R36 D75 L76C3-R36 WeakPolarHBondContact CA-O 3.35Å; C3-R36 HydrophobicContact CB-CB 4.39Å; C3-D75 PolarHBondContact N-OD2 3.25Å; C3-D75 PolarHBondContact O-N 3.12Å; C3-L76 PolarHBondContact O-N 3.15Å
4V97.3Very high90.4Very high2 Ų238.9 Ų38.91%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-97.5129.5164.2-176.30000108.6V6 I29 Y34 R36 L37 I38 L76 I78V4-V6 HydrophobicContact CG1-CG2 4.2Å; V4-I29 HydrophobicContact CG2-CG2 3.97Å; V4-Y34 HydrophobicContact CG2-CD1 3.34Å; V4-Y34 HydrophobicContact CG2-CD2 3.95Å; V4-Y34 HydrophobicContact CG2-CE1 3.72Å; V4-Y34 HydrophobicContact CG2-CE2 4.29Å; V4-Y34 HydrophobicContact CG2-CG 3.47Å; V4-Y34 VanDerWaalsContact CG2-CG 3.47Å; V4-R36 PolarHBondContact N-O 2.92Å; V4-L37 HydrophobicContact CB-CD1 3.86Å; V4-L37 HydrophobicContact CG1-CD1 3.87Å; V4-L37 WeakPolarHBondContact O-CA 3.48Å; V4-I38 PolarHBondContact O-N 3.44Å; V4-L76 WeakPolarHBondContact CA-O 3.47Å; V4-L76 HydrophobicContact CG1-CD2 4.31Å; V4-L76 HydrophobicContact CG1-CG 4.45Å; V4-L76 HydrophobicContact CG2-CB 4.42Å; V4-L76 HydrophobicContact CG2-CD2 4.3Å; V4-I78 HydrophobicContact CG1-CD1 3.84Å; V4-I78 HydrophobicContact CG1-CG1 4.08Å
5F96.6Very high90.4Very high0 Ų040.5 Ų40.50%022%0.223CC..EExtended strand (participates in β ladder)trans-111.9124.3173177.6-122.9000109.8T7 I38 Q40 Y61 L67 D70 I71 A74 L76 V77 I78F5-T7 HydrophobicContact CD1-CG2 4.43Å; F5-T7 HydrophobicContact CE1-CG2 3.89Å; F5-T7 HydrophobicContact CZ-CG2 4.44Å; F5-I38 HydrophobicContact CD2-CB 3.91Å; F5-I38 HydrophobicContact CD2-CG2 3.75Å; F5-I38 HydrophobicContact CE2-CG2 3.97Å; F5-Q40 HydrophobicContact CE2-CB 3.78Å; F5-Q40 HydrophobicContact CZ-CB 3.84Å; F5-Y61 HydrophobicContact CE2-CE1 4.31Å; F5-Y61 WeakPolarHBondContact CE2-OH 3.34Å; F5-Y61 WeakPolarHBondContact CZ-OH 3.38Å; F5-L67 HydrophobicContact CZ-CB 4.46Å; F5-L67 HydrophobicContact CZ-CD1 4.49Å; F5-L67 HydrophobicContact CZ-CD2 4.28Å; F5-D70 HydrophobicContact CD1-CB 4.29Å; F5-D70 HydrophobicContact CD2-CB 3.94Å; F5-D70 HydrophobicContact CE1-CB 4.12Å; F5-D70 HydrophobicContact CE2-CB 3.75Å; F5-D70 HydrophobicContact CG-CB 4.2Å; F5-D70 HydrophobicContact CZ-CB 3.84Å; F5-I71 HydrophobicContact CD1-CG1 3.96Å; F5-I71 HydrophobicContact CE1-CG1 3.82Å; F5-A74 HydrophobicContact CB-CB 3.64Å; F5-L76 PolarHBondContact N-O 3.33Å; F5-V77 HydrophobicContact CD1-CG1 4.2Å; F5-V77 HydrophobicContact CD1-CG2 4.45Å; F5-V77 CarbonylContact O-C 3.54Å; F5-V77 VanDerWaalsContact O-CA 3.31Å; F5-V77 WeakPolarHBondContact O-CA 3.34Å; F5-I78 PolarHBondContact O-N 3.05Å
6V95.6Very high90.4Very high0 Ų038.1 Ų38.10%021%0.209CC..EExtended strand (participates in β ladder)trans-112.2131.1177.2-171.10000109.2V4 L16 V20 L37 I38 L39 Q40 I78V4-V6 HydrophobicContact CG1-CG2 4.2Å; V6-L16 HydrophobicContact CG1-CD2 4.13Å; V6-L16 HydrophobicContact CG1-CG 4.37Å; V6-V20 HydrophobicContact CG1-CG2 4.33Å; V6-V20 HydrophobicContact CG2-CG1 4.48Å; V6-V20 HydrophobicContact CG2-CG2 4.37Å; V6-L37 HydrophobicContact CG2-CD1 3.62Å; V6-I38 PolarHBondContact N-O 3.01Å; V6-L39 HydrophobicContact CB-CD2 3.54Å; V6-L39 HydrophobicContact CG1-CD2 4.27Å; V6-L39 HydrophobicContact CG2-CD2 3.55Å; V6-Q40 PolarHBondContact O-N 3.31Å; V6-I78 CarbonylContact C-O 3.52Å; V6-I78 VanDerWaalsContact CA-O 3.24Å; V6-I78 WeakPolarHBondContact CA-O 3.47Å; V6-I78 HydrophobicContact CB-CB 4.47Å; V6-I78 HydrophobicContact CG1-CB 4.23Å; V6-I78 HydrophobicContact CG1-CG2 4.36Å; V6-I78 HydrophobicContact CG2-CB 4.09Å; V6-I78 HydrophobicContact CG2-CD1 4.25Å; V6-I78 HydrophobicContact CG2-CG1 4.47Å
7T93.4Very high90.6Very high0 Ų035.9 Ų35.90%020%0.197CC..EExtended strand (participates in β ladder)trans-136.1132.1178.71720000111.8F5 G9 Q40 V77 I78 S79 H80F5-T7 HydrophobicContact CD1-CG2 4.43Å; F5-T7 HydrophobicContact CE1-CG2 3.89Å; F5-T7 HydrophobicContact CZ-CG2 4.44Å; T7-G9 PolarHBondContact OG1-N 3.2Å; T7-Q40 WeakPolarHBondContact CA-O 3.38Å; T7-Q40 PolarHBondContact OG1-OE1 3.26Å; T7-V77 HydrophobicContact CG2-CG1 4.46Å; T7-I78 PolarHBondContact N-O 3.49Å; T7-S79 WeakPolarHBondContact O-CA 3.39Å; T7-H80 PolarHBondContact O-N 2.93Å
8V90.8Very high90.7Very high3 Ų336.4 Ų36.42%0.01821%0.207CC..  trans-105.15.7170.6-58.90000112.4T11 F13 L16 I17 Q40 H80V8-T11 PolarHBondContact O-N 3.46Å; V8-T11 PolarHBondContact O-OG1 3.42Å; V8-F13 HydrophobicContact CB-CB 4.14Å; V8-F13 HydrophobicContact CG1-CB 3.77Å; V8-F13 HydrophobicContact CG1-CD1 4.46Å; V8-L16 HydrophobicContact CG1-CD2 3.85Å; V8-I17 HydrophobicContact CG1-CD1 3.76Å; V8-I17 HydrophobicContact CG1-CG1 4.36Å; V8-Q40 PolarHBondContact N-O 2.7Å; V8-H80 HydrophobicContact CB-CB 4.3Å; V8-H80 HydrophobicContact CG1-CB 4.39Å
9G87Confident90.7Very high17 Ų1734.7 Ų34.718%0.17520%0.198CC..THydrogen-bonded Turntrans59.2-138.7-170.900000111.5T7 T11 Q40 G42T7-G9 PolarHBondContact OG1-N 3.2Å; G9-T11 VanDerWaalsContact C-N 3.35Å; G9-Q40 PolarHBondContact O-NE2 2.84Å; G9-G42 VanDerWaalsContact O-CA 3.31Å; G9-G42 WeakPolarHBondContact O-CA 3.46Å
10T85.1Confident90.8Very high103 Ų10333.6 Ų33.663%0.63219%0.191SC*.THydrogen-bonded Turntrans-86.8-6.1178.4560000113.4
11T83.4Confident91Very high40 Ų4033.2 Ų33.225%0.24519%0.191CC..SBendtrans-80.7162.5-176.167.10000112.2V8 G9 G42 H80V8-T11 PolarHBondContact O-N 3.46Å; V8-T11 PolarHBondContact O-OG1 3.42Å; G9-T11 VanDerWaalsContact C-N 3.35Å; T11-G42 WeakPolarHBondContact O-CA 3.23Å; T11-H80 PolarHBondContact OG1-CE1 3.19Å; T11-H80 PolarHBondContact OG1-ND1 2.84Å
12S86.1Confident91.6Very high37 Ų3725.9 Ų25.926%0.25916%0.159SC..  trans-88.1127.9167.1177.60000108.9D14 G44S12-D14 PolarHBondContact OG-OD2 2.6Å; S12-G44 VanDerWaalsContact OG-CA 3.25Å; S12-G44 WeakPolarHBondContact OG-CA 3.46Å
13F89.5Confident91.5Very high6 Ų625.2 Ų25.23%0.02617%0.166CC..  trans-143.363.1168.4-165.1-177.3000109.9V8 D15 L16 I17 H80 V99 N101 C127V8-F13 HydrophobicContact CB-CB 4.14Å; V8-F13 HydrophobicContact CG1-CB 3.77Å; V8-F13 HydrophobicContact CG1-CD1 4.46Å; F13-D15 HydrophobicContact CD2-CB 4.11Å; F13-D15 HydrophobicContact CE2-CB 3.89Å; F13-D15 PolarHBondContact O-N 2.96Å; F13-L16 HydrophobicContact CB-CB 4.38Å; F13-L16 HydrophobicContact CD1-CB 3.58Å; F13-L16 HydrophobicContact CD1-CD2 3.94Å; F13-L16 HydrophobicContact CD1-CG 4.4Å; F13-L16 HydrophobicContact CD2-CB 3.97Å; F13-L16 HydrophobicContact CE1-CB 3.75Å; F13-L16 HydrophobicContact CE1-CD2 4.14Å; F13-L16 HydrophobicContact CE2-CB 4.14Å; F13-L16 HydrophobicContact CG-CB 3.7Å; F13-L16 HydrophobicContact CZ-CB 4.03Å; F13-L16 PolarHBondContact O-N 3.29Å; F13-I17 PolarHBondContact O-N 3.4Å; F13-H80 HydrophobicContact CD1-CB 3.92Å; F13-H80 AromaticContact CD1-CD2 3.58Å; F13-H80 AromaticContact CD1-CG 3.98Å; F13-H80 HydrophobicContact CE1-CB 4.5Å; F13-H80 AromaticContact CE1-CD2 3.92Å; F13-V99 HydrophobicContact CE1-CB 4.38Å; F13-V99 HydrophobicContact CE1-CG1 4.12Å; F13-V99 HydrophobicContact CZ-CG1 4.19Å; F13-N101 HydrophobicContact CD1-CB 3.9Å; F13-N101 HydrophobicContact CD2-CB 4.12Å; F13-N101 VanDerWaalsContact CD2-ND2 3.34Å; F13-N101 WeakPolarHBondContact CD2-ND2 3.42Å; F13-N101 HydrophobicContact CE1-CB 3.58Å; F13-N101 HydrophobicContact CE2-CB 3.79Å; F13-N101 HydrophobicContact CG-CB 4.17Å; F13-N101 VanDerWaalsContact CZ-CA 3.41Å; F13-N101 HydrophobicContact CZ-CB 3.52Å; F13-C127 VanDerWaalsContact CZ-SG 3.51Å
14D90.5Very high91.3Very high36 Ų3630.6 Ų30.619%0.19319%0.194CC..Hα-helixtrans-53.5-36-178.1-72.5-34.2000112.9S12 L16 I17 A18 G44 T45 V46S12-D14 PolarHBondContact OG-OD2 2.6Å; D14-L16 PolarHBondContact O-N 3.47Å; D14-I17 PolarHBondContact O-N 3.39Å; D14-A18 VanDerWaalsContact O-CB 3.3Å; D14-A18 WeakPolarHBondContact O-CB 3.44Å; D14-A18 PolarHBondContact O-N 3.2Å; D14-G44 VanDerWaalsContact OD1-C 3.29Å; D14-G44 WeakPolarHBondContact OD1-CA 3.38Å; D14-T45 PolarHBondContact OD1-N 3.36Å; D14-T45 PolarHBondContact OD2-N 3.01Å; D14-T45 PolarHBondContact OD2-OG1 3.18Å; D14-V46 HydrophobicContact CB-CB 4.09Å; D14-V46 HydrophobicContact CB-CG2 3.59Å; D14-V46 PolarHBondContact OD1-N 2.87Å
15D89.8Confident91.1Very high63 Ų6331.2 Ų31.234%0.33720%0.198SC..Hα-helixtrans-62.9-39.6177.5-58.7-24000112.5F13 C19 K103F13-D15 HydrophobicContact CD2-CB 4.11Å; F13-D15 HydrophobicContact CE2-CB 3.89Å; F13-D15 PolarHBondContact O-N 2.96Å; D15-C19 WeakPolarHBondContact O-CB 3.44Å; D15-C19 PolarHBondContact O-N 2.82Å; D15-K103 IonicContact OD1-NZ 3.62Å; D15-K103 PolarHBondContact OD1-NZ 2.8Å; D15-K103 WeakPolarHBondContact OD2-CD 3.29Å; D15-K103 WeakPolarHBondContact OD2-CE 3.25Å; D15-K103 IonicContact OD2-NZ 3.97Å; D15-K103 PolarHBondContact OD2-NZ 2.89Å
16L90.4Very high90.9Very high1 Ų132.4 Ų32.41%0.00520%0.204CC..Hα-helixtrans-66.8-47.5177.1174.759.6000109.8V6 V8 F13 D14 A18 C19 V20 V99V6-L16 HydrophobicContact CG1-CD2 4.13Å; V6-L16 HydrophobicContact CG1-CG 4.37Å; V8-L16 HydrophobicContact CG1-CD2 3.85Å; F13-L16 HydrophobicContact CB-CB 4.38Å; F13-L16 HydrophobicContact CD1-CB 3.58Å; F13-L16 HydrophobicContact CD1-CD2 3.94Å; F13-L16 HydrophobicContact CD1-CG 4.4Å; F13-L16 HydrophobicContact CD2-CB 3.97Å; F13-L16 HydrophobicContact CE1-CB 3.75Å; F13-L16 HydrophobicContact CE1-CD2 4.14Å; F13-L16 HydrophobicContact CE2-CB 4.14Å; F13-L16 HydrophobicContact CG-CB 3.7Å; F13-L16 HydrophobicContact CZ-CB 4.03Å; F13-L16 PolarHBondContact O-N 3.29Å; D14-L16 PolarHBondContact O-N 3.47Å; L16-A18 PolarHBondContact O-N 3.29Å; L16-C19 WeakPolarHBondContact O-CB 3.18Å; L16-C19 PolarHBondContact O-N 3.13Å; L16-C19 VanDerWaalsContact O-N 3.13Å; L16-V20 HydrophobicContact CD1-CG1 3.73Å; L16-V20 HydrophobicContact CG-CG1 4.45Å; L16-V20 WeakPolarHBondContact O-CG2 3.48Å; L16-V20 PolarHBondContact O-N 3.45Å; L16-V99 HydrophobicContact CD1-CB 4.04Å; L16-V99 HydrophobicContact CD1-CG1 4.06Å; L16-V99 HydrophobicContact CD1-CG2 3.8Å; L16-V99 HydrophobicContact CD2-CB 4.23Å; L16-V99 HydrophobicContact CD2-CG2 4.44Å
17I93.9Very high90.7Very high2 Ų238.6 Ų38.61%0.0123%0.233CC..Hα-helixtrans-59-49.3-179.7-57.9-47.3000110.3V8 F13 D14 C19 V20 S21 I41 V46 P48V8-I17 HydrophobicContact CG1-CD1 3.76Å; V8-I17 HydrophobicContact CG1-CG1 4.36Å; F13-I17 PolarHBondContact O-N 3.4Å; D14-I17 PolarHBondContact O-N 3.39Å; I17-C19 VanDerWaalsContact C-N 3.28Å; I17-C19 PolarHBondContact O-N 3.16Å; I17-V20 WeakPolarHBondContact O-CG2 3.2Å; I17-V20 PolarHBondContact O-N 2.89Å; I17-S21 WeakPolarHBondContact O-CB 3.45Å; I17-S21 PolarHBondContact O-N 3.08Å; I17-S21 PolarHBondContact O-OG 3.27Å; I17-I41 HydrophobicContact CD1-CB 4.34Å; I17-I41 HydrophobicContact CD1-CG2 3.68Å; I17-I41 HydrophobicContact CG1-CB 4.34Å; I17-I41 HydrophobicContact CG1-CG2 3.9Å; I17-I41 HydrophobicContact CG2-CG2 3.97Å; I17-V46 HydrophobicContact CB-CB 4.49Å; I17-V46 HydrophobicContact CB-CG1 4.18Å; I17-V46 HydrophobicContact CG2-CB 4.39Å; I17-V46 HydrophobicContact CG2-CG1 3.79Å; I17-P48 HydrophobicContact CG2-CG 3.61Å
18A92.6Very high90.7Very high45 Ų4543.3 Ų43.337%0.37225%0.254SS..Hα-helixtrans-61-36.9176.700000112.5D14 L16 A22 V46D14-A18 VanDerWaalsContact O-CB 3.3Å; D14-A18 WeakPolarHBondContact O-CB 3.44Å; D14-A18 PolarHBondContact O-N 3.2Å; L16-A18 PolarHBondContact O-N 3.29Å; A18-A22 PolarHBondContact O-N 3.09Å; A18-V46 HydrophobicContact CB-CG1 4.23Å
19C91.8Very high90.8Very high4 Ų444.1 Ų44.13%0.02726%0.258CS..Hα-helixtrans-67.4-48.4178.4-169.70000111.8D15 L16 I17 S21 A22 S25D15-C19 WeakPolarHBondContact O-CB 3.44Å; D15-C19 PolarHBondContact O-N 2.82Å; L16-C19 WeakPolarHBondContact O-CB 3.18Å; L16-C19 PolarHBondContact O-N 3.13Å; L16-C19 VanDerWaalsContact O-N 3.13Å; I17-C19 VanDerWaalsContact C-N 3.28Å; I17-C19 PolarHBondContact O-N 3.16Å; C19-S21 VanDerWaalsContact C-N 3.34Å; C19-A22 WeakPolarHBondContact O-CB 3.46Å; C19-A22 PolarHBondContact O-N 2.79Å; C19-S25 VanDerWaalsContact O-CB 3.24Å; C19-S25 WeakPolarHBondContact O-CB 3.41Å; C19-S25 PolarHBondContact O-OG 2.88Å
20V92.5Very high91.1Very high11 Ų1146.9 Ų46.97%0.06727%0.266CS..Hα-helixtrans-75.1-24.3-177.3-59.80000113V6 L16 I17 L39V6-V20 HydrophobicContact CG1-CG2 4.33Å; V6-V20 HydrophobicContact CG2-CG1 4.48Å; V6-V20 HydrophobicContact CG2-CG2 4.37Å; L16-V20 HydrophobicContact CD1-CG1 3.73Å; L16-V20 HydrophobicContact CG-CG1 4.45Å; L16-V20 WeakPolarHBondContact O-CG2 3.48Å; L16-V20 PolarHBondContact O-N 3.45Å; I17-V20 WeakPolarHBondContact O-CG2 3.2Å; I17-V20 PolarHBondContact O-N 2.89Å; V20-L39 HydrophobicContact CG2-CD1 4.27Å; V20-L39 HydrophobicContact CG2-CD2 3.58Å
21S93.4Very high91.5Very high27 Ų2746.3 Ų46.319%0.18927%0.266CS..THydrogen-bonded Turntrans-90.91.1175.973.10000113.7I17 C19 P48I17-S21 WeakPolarHBondContact O-CB 3.45Å; I17-S21 PolarHBondContact O-N 3.08Å; I17-S21 PolarHBondContact O-OG 3.27Å; C19-S21 VanDerWaalsContact C-N 3.34Å; S21-P48 VanDerWaalsContact CB-CG 3.49Å; S21-P48 WeakPolarHBondContact OG-CG 3.28Å
22A93.8Very high91.9Very high28 Ų2849.4 Ų49.423%0.23128%0.281CS..SBendtrans-68.3146.3177.300000110.7A18 C19 D24 S25 L26A18-A22 PolarHBondContact O-N 3.09Å; C19-A22 WeakPolarHBondContact O-CB 3.46Å; C19-A22 PolarHBondContact O-N 2.79Å; A22-D24 VanDerWaalsContact C-N 3.29Å; A22-D24 PolarHBondContact O-N 3.22Å; A22-S25 WeakPolarHBondContact O-CB 3.47Å; A22-S25 PolarHBondContact O-N 2.98Å; A22-L26 WeakPolarHBondContact O-CG 3.24Å; A22-L26 PolarHBondContact O-N 3.05Å
23P92.1Very high92.3Very high93 Ų9349.7 Ų49.760%0.60429%0.29SS*.Hα-helixtrans-51.7-44.6-178.8-28.735.4000114S25 L26 Q27P23-S25 VanDerWaalsContact C-N 3.34Å; P23-S25 PolarHBondContact O-N 3.27Å; P23-L26 PolarHBondContact O-N 3.43Å; P23-Q27 WeakPolarHBondContact O-CG 3.39Å; P23-Q27 PolarHBondContact O-N 2.93Å
24D92.1Very high92.6Very high125 Ų12551.4 Ų51.467%0.66830%0.296SS*.Hα-helixtrans-62-41.6179.7-58.2-18.2000111.7A22 K28A22-D24 VanDerWaalsContact C-N 3.29Å; A22-D24 PolarHBondContact O-N 3.22Å; D24-K28 WeakPolarHBondContact O-CB 3.27Å; D24-K28 PolarHBondContact O-N 3.3Å
25S91.8Very high92.9Very high15 Ų1551.5 Ų51.511%0.10530%0.297CS..Hα-helixtrans-67-42177.1-57.50000111.7C19 A22 P23 K28 I29C19-S25 VanDerWaalsContact O-CB 3.24Å; C19-S25 WeakPolarHBondContact O-CB 3.41Å; C19-S25 PolarHBondContact O-OG 2.88Å; A22-S25 WeakPolarHBondContact O-CB 3.47Å; A22-S25 PolarHBondContact O-N 2.98Å; P23-S25 VanDerWaalsContact C-N 3.34Å; P23-S25 PolarHBondContact O-N 3.27Å; S25-K28 PolarHBondContact O-N 2.98Å; S25-I29 WeakPolarHBondContact O-CB 3.45Å; S25-I29 WeakPolarHBondContact O-CD1 3.31Å; S25-I29 WeakPolarHBondContact O-CG1 3.48Å; S25-I29 PolarHBondContact O-N 2.62Å
26L93.3Very high93.2Very high24 Ų2453.6 Ų53.613%0.12630%0.3CS..Hα-helixtrans-62.7-46177.3-65.1175000111A22 P23 K28 I29 E30 L37 F51 F56A22-L26 WeakPolarHBondContact O-CG 3.24Å; A22-L26 PolarHBondContact O-N 3.05Å; P23-L26 PolarHBondContact O-N 3.43Å; L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 3.06Å; L26-I29 PolarHBondContact O-N 2.93Å; L26-E30 WeakPolarHBondContact O-CB 3.44Å; L26-E30 PolarHBondContact O-N 2.99Å; L26-L37 HydrophobicContact CD2-CD2 3.52Å; L26-F51 HydrophobicContact CD1-CE1 4.08Å; L26-F51 HydrophobicContact CD1-CZ 4.02Å; L26-F56 HydrophobicContact CD2-CE1 3.98Å; L26-F56 HydrophobicContact CD2-CZ 4.06Å
27Q91.9Very high93.6Very high130 Ų13053.5 Ų53.561%0.60730%0.3SS*.Hα-helixtrans-61-41.4174.5-75.4-176.1-6.700111.9P23 E30 S31P23-Q27 WeakPolarHBondContact O-CG 3.39Å; P23-Q27 PolarHBondContact O-N 2.93Å; Q27-E30 PolarHBondContact O-N 3.32Å; Q27-S31 WeakPolarHBondContact O-CB 3.38Å; Q27-S31 PolarHBondContact O-N 3.44Å; Q27-S31 PolarHBondContact O-OG 2.95Å
28K92.3Very high93.7Very high99 Ų9954 Ų5443%0.4330%0.302SS..Hα-helixtrans-62.6-47.9176.8-170.874.9172-129.10111.1D24 S25 L26 E30 S31 L32 D132D24-K28 WeakPolarHBondContact O-CB 3.27Å; D24-K28 PolarHBondContact O-N 3.3Å; S25-K28 PolarHBondContact O-N 2.98Å; L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 3.06Å; K28-E30 VanDerWaalsContact C-N 3.31Å; K28-E30 PolarHBondContact O-N 2.91Å; K28-S31 WeakPolarHBondContact CA-OG 3.46Å; K28-S31 PolarHBondContact O-N 2.9Å; K28-S31 PolarHBondContact O-OG 3.44Å; K28-L32 HydrophobicContact CG-CD1 4.33Å; K28-L32 VanDerWaalsContact O-CG 3.3Å; K28-L32 WeakPolarHBondContact O-CG 3.27Å; K28-L32 PolarHBondContact O-N 2.92Å; K28-D132 PolarHBondContact NZ-O 2.86Å
29I93.2Very high93.9Very high20 Ų2051.8 Ų51.810%0.10328%0.284CS..Hα-helixtrans-57.9-45.4177.3-70.4165.6000110.3V4 S25 L26 L32 Y34 L37 F56V4-I29 HydrophobicContact CG2-CG2 3.97Å; S25-I29 WeakPolarHBondContact O-CB 3.45Å; S25-I29 WeakPolarHBondContact O-CD1 3.31Å; S25-I29 WeakPolarHBondContact O-CG1 3.48Å; S25-I29 PolarHBondContact O-N 2.62Å; L26-I29 PolarHBondContact O-N 2.93Å; I29-L32 PolarHBondContact O-N 3.48Å; I29-Y34 HydrophobicContact CG2-CD2 4.37Å; I29-Y34 HydrophobicContact CG2-CG 4.25Å; I29-Y34 WeakPolarHBondContact O-CB 3.28Å; I29-Y34 PolarHBondContact O-N 3.33Å; I29-L37 HydrophobicContact CD1-CD1 4.41Å; I29-L37 HydrophobicContact CD1-CD2 4.01Å; I29-F56 HydrophobicContact CG2-CE2 3.89Å; I29-F56 HydrophobicContact CG2-CZ 4.3Å
30E93.5Very high94.1Very high76 Ų7652 Ų5236%0.35529%0.285SS..Hα-helixtrans-62.3-44.8176.1-170174.9-160.400112.1L26 Q27 K28 L32 G33 Y34 S55 F56L26-E30 WeakPolarHBondContact O-CB 3.44Å; L26-E30 PolarHBondContact O-N 2.99Å; Q27-E30 PolarHBondContact O-N 3.32Å; K28-E30 VanDerWaalsContact C-N 3.31Å; K28-E30 PolarHBondContact O-N 2.91Å; E30-L32 PolarHBondContact O-N 2.95Å; E30-G33 WeakPolarHBondContact O-CA 3.36Å; E30-G33 PolarHBondContact O-N 3.41Å; E30-Y34 WeakPolarHBondContact CA-O 3.29Å; E30-S55 VanDerWaalsContact OE1-CB 3.23Å; E30-S55 WeakPolarHBondContact OE1-CB 3.46Å; E30-S55 PolarHBondContact OE1-OG 2.94Å; E30-F56 HydrophobicContact CB-CD2 4.15Å; E30-F56 HydrophobicContact CG-CD2 4.36Å
31S93Very high94.1Very high91 Ų9151.6 Ų51.664%0.63628%0.282SS*.Hα-helixtrans-63.5-27.2178.3770000113.7Q27 K28 G33Q27-S31 WeakPolarHBondContact O-CB 3.38Å; Q27-S31 PolarHBondContact O-N 3.44Å; Q27-S31 PolarHBondContact O-OG 2.95Å; K28-S31 WeakPolarHBondContact CA-OG 3.46Å; K28-S31 PolarHBondContact O-N 2.9Å; K28-S31 PolarHBondContact O-OG 3.44Å; S31-G33 PolarHBondContact O-N 3.03Å
32L92.6Very high94Very high104 Ų10450.4 Ų50.455%0.54527%0.274SS..THydrogen-bonded Turntrans-78-0.4173.1-67.9170.6000112.5K28 I29 E30 Y34K28-L32 HydrophobicContact CG-CD1 4.33Å; K28-L32 VanDerWaalsContact O-CG 3.3Å; K28-L32 WeakPolarHBondContact O-CG 3.27Å; K28-L32 PolarHBondContact O-N 2.92Å; I29-L32 PolarHBondContact O-N 3.48Å; E30-L32 PolarHBondContact O-N 2.95Å; L32-Y34 HydrophobicContact CB-CD2 3.81Å; L32-Y34 HydrophobicContact CB-CE2 3.95Å
33G94.9Very high93.8Very high44 Ų4458.1 Ų58.145%0.45430%0.298SS..THydrogen-bonded Turntrans87.314176.200000114.3E30 S31E30-G33 WeakPolarHBondContact O-CA 3.36Å; E30-G33 PolarHBondContact O-N 3.41Å; S31-G33 PolarHBondContact O-N 3.03Å
34Y96Very high93.6Very high41 Ų4154 Ų5416%0.16127%0.272CS..  trans-85.7132.3170.9-62.5-88000109.7K2 V4 I29 E30 L32 D75 L76K2-Y34 HydrophobicContact CB-CD1 3.69Å; K2-Y34 HydrophobicContact CB-CE1 4.26Å; K2-Y34 HydrophobicContact CB-CG 4.31Å; K2-Y34 WeakPolarHBondContact O-CA 3.4Å; V4-Y34 HydrophobicContact CG2-CD1 3.34Å; V4-Y34 HydrophobicContact CG2-CD2 3.95Å; V4-Y34 HydrophobicContact CG2-CE1 3.72Å; V4-Y34 HydrophobicContact CG2-CE2 4.29Å; V4-Y34 HydrophobicContact CG2-CG 3.47Å; V4-Y34 VanDerWaalsContact CG2-CG 3.47Å; I29-Y34 HydrophobicContact CG2-CD2 4.37Å; I29-Y34 HydrophobicContact CG2-CG 4.25Å; I29-Y34 WeakPolarHBondContact O-CB 3.28Å; I29-Y34 PolarHBondContact O-N 3.33Å; E30-Y34 WeakPolarHBondContact CA-O 3.29Å; L32-Y34 HydrophobicContact CB-CD2 3.81Å; L32-Y34 HydrophobicContact CB-CE2 3.95Å; Y34-D75 HydrophobicContact CE1-CB 4.07Å; Y34-L76 HydrophobicContact CE1-CB 4.03Å
35N95.6Very high93.7Very high39 Ų3953.8 Ų53.821%0.20928%0.275CS..  trans-115.41.9-17762.9-2.8000112.9M1 K2 S55 F56 T57M1-N35 WeakPolarHBondContact CA-ND2 3.3Å; M1-N35 VanDerWaalsContact CA-OD1 3.31Å; M1-N35 WeakPolarHBondContact CA-OD1 3.36Å; M1-N35 WeakPolarHBondContact CB-ND2 3.46Å; M1-N35 VanDerWaalsContact CB-OD1 3.29Å; M1-N35 WeakPolarHBondContact CB-OD1 3.47Å; M1-N35 WeakPolarHBondContact CG-ND2 3.32Å; K2-N35 PolarHBondContact N-OD1 2.79Å; K2-N35 PolarHBondContact O-N 2.95Å; K2-N35 PolarHBondContact O-OD1 3.28Å; K2-N35 VanDerWaalsContact O-OD1 3.06Å; N35-S55 VanDerWaalsContact CB-O 3.27Å; N35-S55 WeakPolarHBondContact CB-O 3.3Å; N35-F56 WeakPolarHBondContact O-CA 3.42Å; N35-T57 PolarHBondContact O-N 3.45Å
36R97.3Very high93.7Very high106 Ų10655.2 Ų55.240%0.428%0.283SS..EExtended strand (participates in β ladder)trans-141.8132.9175.1-167.7174.1-173.4175.31.6110.8K2 C3 V4 I38 T57 D59K2-R36 PolarHBondContact O-N 3.35Å; C3-R36 WeakPolarHBondContact CA-O 3.35Å; C3-R36 HydrophobicContact CB-CB 4.39Å; V4-R36 PolarHBondContact N-O 2.92Å; R36-I38 HydrophobicContact CG-CG1 4.16Å; R36-T57 CarbonylContact C-O 3.59Å; R36-T57 WeakPolarHBondContact CA-O 3.47Å; R36-D59 IonicContact CZ-OD2 3.19Å; R36-D59 IonicContact NE-OD2 2.85Å; R36-D59 PolarHBondContact NE-OD2 2.92Å; R36-D59 IonicContact NH2-OD2 2.7Å; R36-D59 PolarHBondContact NH2-OD2 2.8Å
37L97.6Very high93.8Very high0 Ų057.8 Ų57.80%030%0.3CS..EExtended strand (participates in β ladder)trans-120.5124.2170.4176.760.6000108.6V4 V6 L26 I29 L39 F56 T57 L58 D59V4-L37 HydrophobicContact CB-CD1 3.86Å; V4-L37 HydrophobicContact CG1-CD1 3.87Å; V4-L37 WeakPolarHBondContact O-CA 3.48Å; V6-L37 HydrophobicContact CG2-CD1 3.62Å; L26-L37 HydrophobicContact CD2-CD2 3.52Å; I29-L37 HydrophobicContact CD1-CD1 4.41Å; I29-L37 HydrophobicContact CD1-CD2 4.01Å; L37-L39 HydrophobicContact CD1-CD2 3.8Å; L37-L39 HydrophobicContact CD2-CD2 4.05Å; L37-L39 HydrophobicContact CG-CD2 3.81Å; L37-L39 HydrophobicContact CG-CG 4.23Å; L37-F56 HydrophobicContact CB-CE1 4.19Å; L37-F56 HydrophobicContact CB-CE2 4.48Å; L37-F56 HydrophobicContact CB-CZ 3.6Å; L37-F56 HydrophobicContact CD2-CZ 4.45Å; L37-T57 PolarHBondContact N-O 2.93Å; L37-L58 HydrophobicContact CB-CD1 4Å; L37-L58 HydrophobicContact CD2-CD1 3.8Å; L37-L58 HydrophobicContact CG-CD1 3.74Å; L37-L58 WeakPolarHBondContact O-CA 3.4Å; L37-D59 PolarHBondContact O-N 3.22Å
38I97.4Very high93.9Very high11 Ų1152.5 Ų52.56%0.05628%0.276CS..EExtended strand (participates in β ladder)trans-113.4120.6175.8-58.5176.5000107.8V4 F5 V6 R36 D59 Y61V4-I38 PolarHBondContact O-N 3.44Å; F5-I38 HydrophobicContact CD2-CB 3.91Å; F5-I38 HydrophobicContact CD2-CG2 3.75Å; F5-I38 HydrophobicContact CE2-CG2 3.97Å; V6-I38 PolarHBondContact N-O 3.01Å; R36-I38 HydrophobicContact CG-CG1 4.16Å; I38-D59 WeakPolarHBondContact CA-O 3.18Å; I38-D59 HydrophobicContact CG1-CB 4.28Å; I38-Y61 HydrophobicContact CG2-CD1 4.14Å; I38-Y61 HydrophobicContact CG2-CE1 3.62Å
39L96.7Very high94Very high0 Ų055.9 Ų55.90%029%0.294CS..EExtended strand (participates in β ladder)trans-106108.5178.1-56.4-175.6000110.4V6 V20 L37 I41 P48 L58 D59 V60 Y61V6-L39 HydrophobicContact CB-CD2 3.54Å; V6-L39 HydrophobicContact CG1-CD2 4.27Å; V6-L39 HydrophobicContact CG2-CD2 3.55Å; V20-L39 HydrophobicContact CG2-CD1 4.27Å; V20-L39 HydrophobicContact CG2-CD2 3.58Å; L37-L39 HydrophobicContact CD1-CD2 3.8Å; L37-L39 HydrophobicContact CD2-CD2 4.05Å; L37-L39 HydrophobicContact CG-CD2 3.81Å; L37-L39 HydrophobicContact CG-CG 4.23Å; L39-I41 HydrophobicContact CB-CG2 4.12Å; L39-P48 HydrophobicContact CD1-CG 4.01Å; L39-L58 HydrophobicContact CD1-CD1 3.79Å; L39-L58 HydrophobicContact CG-CD1 3.77Å; L39-D59 PolarHBondContact N-O 2.95Å; L39-V60 HydrophobicContact CB-CG1 4.34Å; L39-V60 HydrophobicContact CB-CG2 4.25Å; L39-V60 HydrophobicContact CD1-CG2 4.23Å; L39-V60 WeakPolarHBondContact O-CA 3.25Å; L39-Y61 PolarHBondContact O-N 2.74Å
40Q94.9Very high94.2Very high7 Ų758.8 Ų58.83%0.03331%0.314CS..EExtended strand (participates in β ladder)trans-87105.2162.4-173.8-82.3-47.500109F5 V6 T7 V8 G9 Y61 R62 L67F5-Q40 HydrophobicContact CE2-CB 3.78Å; F5-Q40 HydrophobicContact CZ-CB 3.84Å; V6-Q40 PolarHBondContact O-N 3.31Å; T7-Q40 WeakPolarHBondContact CA-O 3.38Å; T7-Q40 PolarHBondContact OG1-OE1 3.26Å; V8-Q40 PolarHBondContact N-O 2.7Å; G9-Q40 PolarHBondContact O-NE2 2.84Å; Q40-Y61 WeakPolarHBondContact CA-O 3.33Å; Q40-Y61 HydrophobicContact CB-CD2 4.41Å; Q40-Y61 HydrophobicContact CB-CE1 4.28Å; Q40-Y61 HydrophobicContact CB-CE2 3.72Å; Q40-Y61 HydrophobicContact CG-CD2 4.03Å; Q40-Y61 HydrophobicContact CG-CE2 3.32Å; Q40-R62 PolarHBondContact NE2-O 2.92Å; Q40-L67 HydrophobicContact CG-CD2 3.96Å
41I93.8Very high94.3Very high4 Ų459.1 Ų59.12%0.02131%0.314CS..  trans-98.9147.2-179.676.8-177.5000110.4I17 L39 V47 V60 Y61 R62I17-I41 HydrophobicContact CD1-CB 4.34Å; I17-I41 HydrophobicContact CD1-CG2 3.68Å; I17-I41 HydrophobicContact CG1-CB 4.34Å; I17-I41 HydrophobicContact CG1-CG2 3.9Å; I17-I41 HydrophobicContact CG2-CG2 3.97Å; L39-I41 HydrophobicContact CB-CG2 4.12Å; I41-V47 HydrophobicContact CD1-CB 4.2Å; I41-V47 HydrophobicContact CD1-CG1 3.92Å; I41-V47 HydrophobicContact CD1-CG2 3.84Å; I41-V60 HydrophobicContact CD1-CG1 3.98Å; I41-V60 HydrophobicContact CG2-CG1 4.03Å; I41-Y61 PolarHBondContact N-O 2.96Å; I41-R62 HydrophobicContact CD1-CG 3.98Å; I41-R62 HydrophobicContact CG1-CB 4.48Å; I41-R62 HydrophobicContact CG1-CG 3.63Å; I41-R62 CarbonylContact O-C 3.41Å; I41-R62 WeakPolarHBondContact O-CA 3.11Å
42G90.3Very high94.5Very high2 Ų258.7 Ų58.72%0.02131%0.312CS..  trans-89.8-137.2179.600000112G9 T11 G44 R62G9-G42 VanDerWaalsContact O-CA 3.31Å; G9-G42 WeakPolarHBondContact O-CA 3.46Å; T11-G42 WeakPolarHBondContact O-CA 3.23Å; G42-G44 PolarHBondContact O-N 2.81Å; G42-R62 PolarHBondContact O-NH1 2.9Å
43R90Very high94.5Very high190 Ų19057.3 Ų57.372%0.71731%0.308SS*.SBendtrans-8312.6178.268.1-176.3177.2-174.1-2.3115.1
44G88.6Confident94.4Very high6 Ų665.3 Ų65.36%0.06233%0.333CS..  trans-66.4167.317900000113.7S12 D14 G42 R62S12-G44 VanDerWaalsContact OG-CA 3.25Å; S12-G44 WeakPolarHBondContact OG-CA 3.46Å; D14-G44 VanDerWaalsContact OD1-C 3.29Å; D14-G44 WeakPolarHBondContact OD1-CA 3.38Å; G42-G44 PolarHBondContact O-N 2.81Å; G44-R62 PolarHBondContact O-NH1 2.96Å; G44-R62 PolarHBondContact O-NH2 3.13Å
45T92.6Very high94.2Very high121 Ų12166.6 Ų66.674%0.74235%0.348SS*.SBendtrans-93.7-20-179.5590000113D14 V47D14-T45 PolarHBondContact OD1-N 3.36Å; D14-T45 PolarHBondContact OD2-N 3.01Å; D14-T45 PolarHBondContact OD2-OG1 3.18Å; T45-V47 PolarHBondContact O-N 2.81Å
46V93.1Very high94.2Very high45 Ų4565 Ų6527%0.27334%0.34SS..  trans-77.5115.6176.6177.50000109.2D14 I17 A18D14-V46 HydrophobicContact CB-CB 4.09Å; D14-V46 HydrophobicContact CB-CG2 3.59Å; D14-V46 PolarHBondContact OD1-N 2.87Å; I17-V46 HydrophobicContact CB-CB 4.49Å; I17-V46 HydrophobicContact CB-CG1 4.18Å; I17-V46 HydrophobicContact CG2-CB 4.39Å; I17-V46 HydrophobicContact CG2-CG1 3.79Å; A18-V46 HydrophobicContact CB-CG1 4.23Å
47V94.8Very high94.2Very high78 Ų7861.4 Ų61.447%0.47333%0.329SS..  trans-129.196.2178.3-170.70000108.1I41 T45I41-V47 HydrophobicContact CD1-CB 4.2Å; I41-V47 HydrophobicContact CD1-CG1 3.92Å; I41-V47 HydrophobicContact CD1-CG2 3.84Å; T45-V47 PolarHBondContact O-N 2.81Å
48P94.3Very high94.1Very high18 Ų1861.6 Ų61.612%0.11733%0.33CS..PPolyproline II helixtrans-62142.3172.5-20.233.5000110.1I17 S21 L39 L58 V60I17-P48 HydrophobicContact CG2-CG 3.61Å; S21-P48 VanDerWaalsContact CB-CG 3.49Å; S21-P48 WeakPolarHBondContact OG-CG 3.28Å; L39-P48 HydrophobicContact CD1-CG 4.01Å; P48-L58 HydrophobicContact CB-CD2 4.33Å; P48-V60 HydrophobicContact CB-CG2 4.37Å; P48-V60 WeakPolarHBondContact O-CG2 3.32Å
49E95.1Very high94.1Very high170 Ų17063.4 Ų63.479%0.79434%0.34SS*.PPolyproline II helixtrans-72.3128.4173.1-68.2-171.9169.500109.5
50P96Very high94.1Very high82 Ų8264.9 Ų64.953%0.53235%0.349SS..PPolyproline II helixtrans-66.3142.917428.9-33.8000109.7L58 V60P50-L58 CarbonylContact C-O 3.54Å; P50-L58 VanDerWaalsContact CA-O 3.25Å; P50-L58 WeakPolarHBondContact CA-O 3.31Å; P50-L58 VanDerWaalsContact CB-O 3.31Å; P50-L58 WeakPolarHBondContact CB-O 3.31Å; P50-V60 HydrophobicContact CB-CG2 4.42Å
51F96.6Very high94.2Very high82 Ų8266.8 Ų66.836%0.3636%0.356SS..EExtended strand (participates in β ladder)trans-148.9160.7178.870.6-95.4000111L26 T53 F56 L58L26-F51 HydrophobicContact CD1-CE1 4.08Å; L26-F51 HydrophobicContact CD1-CZ 4.02Å; F51-T53 HydrophobicContact CD2-CG2 4.1Å; F51-T53 HydrophobicContact CE2-CG2 4.13Å; F51-F56 AromaticContact CE2-CD1 3.99Å; F51-F56 HydrophobicContact CE2-CD1 3.99Å; F51-F56 HydrophobicContact CZ-CD1 4.07Å; F51-F56 HydrophobicContact CZ-CE1 4.23Å; F51-L58 HydrophobicContact CD1-CB 3.81Å; F51-L58 HydrophobicContact CD1-CD2 3.81Å; F51-L58 HydrophobicContact CD1-CG 4.37Å; F51-L58 HydrophobicContact CE1-CB 3.64Å; F51-L58 HydrophobicContact CE1-CD2 3.49Å; F51-L58 VanDerWaalsContact CE1-CD2 3.49Å; F51-L58 HydrophobicContact CE1-CG 4.2Å; F51-L58 HydrophobicContact CG-CB 4.34Å; F51-L58 HydrophobicContact CZ-CB 4.03Å; F51-L58 HydrophobicContact CZ-CD2 4.47Å; F51-L58 PolarHBondContact N-O 3.31Å; F51-L58 PolarHBondContact O-N 3.24Å
52S96.3Very high94.2Very high83 Ų8370.8 Ų70.858%0.5837%0.371SS*.EExtended strand (participates in β ladder)trans-137.1138.2171.1-162.70000110.3T57S52-T57 PolarHBondContact OG-OG1 3.29Å
53T93.2Very high94.1Very high75 Ų7577.5 Ų77.546%0.4640%0.397SS..  trans-114.7-174.8170.9650000108.8F51 S55 F56F51-T53 HydrophobicContact CD2-CG2 4.1Å; F51-T53 HydrophobicContact CE2-CG2 4.13Å; T53-S55 VanDerWaalsContact C-N 3.31Å; T53-S55 PolarHBondContact OG1-N 2.84Å; T53-F56 PolarHBondContact N-O 3.17Å; T53-F56 PolarHBondContact OG1-N 3.24Å; T53-F56 PolarHBondContact OG1-O 2.87Å
54E91.8Very high94Very high211 Ų21172.9 Ų72.999%0.98638%0.382SS*.SBendtrans-67.4-32174.1-63-173.9174.500112.7
55S92.3Very high93.8Very high68 Ų6881.1 Ų81.148%0.47642%0.424SS..SBendtrans-107-21.2-173.656.70000114.3E30 N35 T53E30-S55 VanDerWaalsContact OE1-CB 3.23Å; E30-S55 WeakPolarHBondContact OE1-CB 3.46Å; E30-S55 PolarHBondContact OE1-OG 2.94Å; N35-S55 VanDerWaalsContact CB-O 3.27Å; N35-S55 WeakPolarHBondContact CB-O 3.3Å; T53-S55 VanDerWaalsContact C-N 3.31Å; T53-S55 PolarHBondContact OG1-N 2.84Å
56F95.3Very high93.5Very high7 Ų777.7 Ų77.73%0.03141%0.405CS..  trans-145.1139.3-170.9-169.6-91.4000113.7L26 I29 E30 N35 L37 F51 T53 L58L26-F56 HydrophobicContact CD2-CE1 3.98Å; L26-F56 HydrophobicContact CD2-CZ 4.06Å; I29-F56 HydrophobicContact CG2-CE2 3.89Å; I29-F56 HydrophobicContact CG2-CZ 4.3Å; E30-F56 HydrophobicContact CB-CD2 4.15Å; E30-F56 HydrophobicContact CG-CD2 4.36Å; N35-F56 WeakPolarHBondContact O-CA 3.42Å; L37-F56 HydrophobicContact CB-CE1 4.19Å; L37-F56 HydrophobicContact CB-CE2 4.48Å; L37-F56 HydrophobicContact CB-CZ 3.6Å; L37-F56 HydrophobicContact CD2-CZ 4.45Å; F51-F56 AromaticContact CE2-CD1 3.99Å; F51-F56 HydrophobicContact CE2-CD1 3.99Å; F51-F56 HydrophobicContact CZ-CD1 4.07Å; F51-F56 HydrophobicContact CZ-CE1 4.23Å; T53-F56 PolarHBondContact N-O 3.17Å; T53-F56 PolarHBondContact OG1-N 3.24Å; T53-F56 PolarHBondContact OG1-O 2.87Å; F56-L58 HydrophobicContact CE1-CB 4.3Å
57T97Very high93.3Very high29 Ų2976.8 Ų76.818%0.17840%0.399CS..EExtended strand (participates in β ladder)trans-124.9131.7175.7-53.40000111.7N35 R36 L37 S52N35-T57 PolarHBondContact O-N 3.45Å; R36-T57 CarbonylContact C-O 3.59Å; R36-T57 WeakPolarHBondContact CA-O 3.47Å; L37-T57 PolarHBondContact N-O 2.93Å; S52-T57 PolarHBondContact OG-OG1 3.29Å
58L97.3Very high93.1Very high4 Ų478.7 Ų78.72%0.02140%0.401CS..EExtended strand (participates in β ladder)trans-110.1115.7169.417659.3000110.1L37 L39 P48 P50 F51 F56 V60L37-L58 HydrophobicContact CB-CD1 4Å; L37-L58 HydrophobicContact CD2-CD1 3.8Å; L37-L58 HydrophobicContact CG-CD1 3.74Å; L37-L58 WeakPolarHBondContact O-CA 3.4Å; L39-L58 HydrophobicContact CD1-CD1 3.79Å; L39-L58 HydrophobicContact CG-CD1 3.77Å; P48-L58 HydrophobicContact CB-CD2 4.33Å; P50-L58 CarbonylContact C-O 3.54Å; P50-L58 VanDerWaalsContact CA-O 3.25Å; P50-L58 WeakPolarHBondContact CA-O 3.31Å; P50-L58 VanDerWaalsContact CB-O 3.31Å; P50-L58 WeakPolarHBondContact CB-O 3.31Å; F51-L58 HydrophobicContact CD1-CB 3.81Å; F51-L58 HydrophobicContact CD1-CD2 3.81Å; F51-L58 HydrophobicContact CD1-CG 4.37Å; F51-L58 HydrophobicContact CE1-CB 3.64Å; F51-L58 HydrophobicContact CE1-CD2 3.49Å; F51-L58 VanDerWaalsContact CE1-CD2 3.49Å; F51-L58 HydrophobicContact CE1-CG 4.2Å; F51-L58 HydrophobicContact CG-CB 4.34Å; F51-L58 HydrophobicContact CZ-CB 4.03Å; F51-L58 HydrophobicContact CZ-CD2 4.47Å; F51-L58 PolarHBondContact N-O 3.31Å; F51-L58 PolarHBondContact O-N 3.24Å; F56-L58 HydrophobicContact CE1-CB 4.3Å; L58-V60 HydrophobicContact CD1-CG2 4.26Å; L58-V60 HydrophobicContact CD2-CG2 4.47Å; L58-V60 HydrophobicContact CG-CG2 4.09Å
59D97.1Very high92.9Very high49 Ų4982.9 Ų82.926%0.26242%0.419SS..EExtended strand (participates in β ladder)trans-105.7141.6171.2-66.5-59.1000110.5R36 L37 I38 L39R36-D59 IonicContact CZ-OD2 3.19Å; R36-D59 IonicContact NE-OD2 2.85Å; R36-D59 PolarHBondContact NE-OD2 2.92Å; R36-D59 IonicContact NH2-OD2 2.7Å; R36-D59 PolarHBondContact NH2-OD2 2.8Å; L37-D59 PolarHBondContact O-N 3.22Å; I38-D59 WeakPolarHBondContact CA-O 3.18Å; I38-D59 HydrophobicContact CG1-CB 4.28Å; L39-D59 PolarHBondContact N-O 2.95Å
60V96.9Very high92.8Very high32 Ų3275.5 Ų75.519%0.19439%0.385CS..EExtended strand (participates in β ladder)trans-134.3129.3179.8-172.20000109.7L39 I41 P48 P50 L58L39-V60 HydrophobicContact CB-CG1 4.34Å; L39-V60 HydrophobicContact CB-CG2 4.25Å; L39-V60 HydrophobicContact CD1-CG2 4.23Å; L39-V60 WeakPolarHBondContact O-CA 3.25Å; I41-V60 HydrophobicContact CD1-CG1 3.98Å; I41-V60 HydrophobicContact CG2-CG1 4.03Å; P48-V60 HydrophobicContact CB-CG2 4.37Å; P48-V60 WeakPolarHBondContact O-CG2 3.32Å; P50-V60 HydrophobicContact CB-CG2 4.42Å; L58-V60 HydrophobicContact CD1-CG2 4.26Å; L58-V60 HydrophobicContact CD2-CG2 4.47Å; L58-V60 HydrophobicContact CG-CG2 4.09Å
61Y96Very high92.7Very high47 Ų4771.6 Ų71.618%0.18436%0.359CS..EExtended strand (participates in β ladder)trans-144.7157.5172.570.5-96.7000111.4F5 I38 L39 Q40 I41 K64 L67 D70F5-Y61 HydrophobicContact CE2-CE1 4.31Å; F5-Y61 WeakPolarHBondContact CE2-OH 3.34Å; F5-Y61 WeakPolarHBondContact CZ-OH 3.38Å; I38-Y61 HydrophobicContact CG2-CD1 4.14Å; I38-Y61 HydrophobicContact CG2-CE1 3.62Å; L39-Y61 PolarHBondContact O-N 2.74Å; Q40-Y61 WeakPolarHBondContact CA-O 3.33Å; Q40-Y61 HydrophobicContact CB-CD2 4.41Å; Q40-Y61 HydrophobicContact CB-CE1 4.28Å; Q40-Y61 HydrophobicContact CB-CE2 3.72Å; Q40-Y61 HydrophobicContact CG-CD2 4.03Å; Q40-Y61 HydrophobicContact CG-CE2 3.32Å; I41-Y61 PolarHBondContact N-O 2.96Å; Y61-K64 HydrophobicContact CD2-CB 4.23Å; Y61-K64 HydrophobicContact CE2-CB 3.73Å; Y61-K64 HydrophobicContact CE2-CD 4.36Å; Y61-L67 HydrophobicContact CE2-CD2 4.13Å; Y61-L67 VanDerWaalsContact OH-CD2 3.25Å; Y61-L67 WeakPolarHBondContact OH-CD2 3.17Å; Y61-D70 PolarHBondContact OH-OD2 2.82Å
62R93.1Very high92.5Very high88 Ų8873.1 Ų73.133%0.33237%0.368SS..SBendtrans-89.2-61.6178.2-71.3-171.1177.1-96.27.5112.7Q40 I41 G42 G44Q40-R62 PolarHBondContact NE2-O 2.92Å; I41-R62 HydrophobicContact CD1-CG 3.98Å; I41-R62 HydrophobicContact CG1-CB 4.48Å; I41-R62 HydrophobicContact CG1-CG 3.63Å; I41-R62 CarbonylContact O-C 3.41Å; I41-R62 WeakPolarHBondContact O-CA 3.11Å; G42-R62 PolarHBondContact O-NH1 2.9Å; G44-R62 PolarHBondContact O-NH1 2.96Å; G44-R62 PolarHBondContact O-NH2 3.13Å
63Y89.8Confident92.3Very high142 Ų14275.5 Ų75.556%0.55737%0.368SS*.  trans-130.5147.6-172.7-51.9-64.2000110.2
64K88.1Confident92.4Very high93 Ų9371.9 Ų71.940%0.40435%0.346SS..  trans-147.9148.5175.8-172174.2173.5-177.80107.1Y61 S66 L67 D70Y61-K64 HydrophobicContact CD2-CB 4.23Å; Y61-K64 HydrophobicContact CE2-CB 3.73Å; Y61-K64 HydrophobicContact CE2-CD 4.36Å; K64-S66 WeakPolarHBondContact CD-O 3.47Å; K64-S66 PolarHBondContact O-N 3.36Å; K64-S66 VanDerWaalsContact O-N 3.16Å; K64-L67 HydrophobicContact CB-CD2 4.46Å; K64-D70 WeakPolarHBondContact CD-OD2 3.44Å; K64-D70 VanDerWaalsContact NZ-CG 3.25Å; K64-D70 IonicContact NZ-OD1 2.9Å; K64-D70 PolarHBondContact NZ-OD1 3.33Å; K64-D70 IonicContact NZ-OD2 2.86Å; K64-D70 PolarHBondContact NZ-OD2 2.89Å
65D84.4Confident92.6Very high179 Ų17965.1 Ų65.196%0.95732%0.316SS*.SBendtrans-61.2-26.1-178-62.1-31.4000112.7
66S86.1Confident92.7Very high49 Ų4963.4 Ų63.434%0.34330%0.301SS..  trans-153.5133.3179.6179.30000111.3K64 K68K64-S66 WeakPolarHBondContact CD-O 3.47Å; K64-S66 PolarHBondContact O-N 3.36Å; K64-S66 VanDerWaalsContact O-N 3.16Å; S66-K68 WeakPolarHBondContact OG-CB 3.46Å; S66-K68 WeakPolarHBondContact OG-CG 3.39Å; S66-K68 PolarHBondContact OG-N 2.91Å
67L88.6Confident92.7Very high27 Ų2763 Ų6314%0.14130%0.3CS..SBendtrans-89-7.4172.3-52.7-174.9000112.3F5 Q40 Y61 K64 E69 D70 I71F5-L67 HydrophobicContact CZ-CB 4.46Å; F5-L67 HydrophobicContact CZ-CD1 4.49Å; F5-L67 HydrophobicContact CZ-CD2 4.28Å; Q40-L67 HydrophobicContact CG-CD2 3.96Å; Y61-L67 HydrophobicContact CE2-CD2 4.13Å; Y61-L67 VanDerWaalsContact OH-CD2 3.25Å; Y61-L67 WeakPolarHBondContact OH-CD2 3.17Å; K64-L67 HydrophobicContact CB-CD2 4.46Å; L67-E69 VanDerWaalsContact C-N 3.27Å; L67-E69 PolarHBondContact O-N 2.92Å; L67-D70 PolarHBondContact O-N 3.38Å; L67-I71 HydrophobicContact CB-CD1 4.2Å; L67-I71 WeakPolarHBondContact O-CG1 3.45Å; L67-I71 PolarHBondContact O-N 2.88Å
68K89.2Confident92.5Very high118 Ų11862.8 Ų62.851%0.51330%0.297SS..Hα-helixtrans-50.8-45.5-175-73.1178.5178.4-177.80112.9S66 Q72 E88S66-K68 WeakPolarHBondContact OG-CB 3.46Å; S66-K68 WeakPolarHBondContact OG-CG 3.39Å; S66-K68 PolarHBondContact OG-N 2.91Å; K68-Q72 WeakPolarHBondContact O-CB 3.31Å; K68-Q72 PolarHBondContact O-N 3.39Å; K68-E88 VanDerWaalsContact CA-OE1 3.26Å; K68-E88 WeakPolarHBondContact CA-OE1 3.18Å; K68-E88 WeakPolarHBondContact CG-OE1 3.3Å; K68-E88 PolarHBondContact N-OE1 2.67Å
69E91.3Very high92.1Very high106 Ų10662.6 Ų62.650%0.49530%0.296SS..Hα-helixtrans-68.5-37.7-178.8-69.2-169.6-164.900112.6L67 Q72 K73L67-E69 VanDerWaalsContact C-N 3.27Å; L67-E69 PolarHBondContact O-N 2.92Å; E69-Q72 PolarHBondContact O-N 2.99Å; E69-K73 WeakPolarHBondContact O-CB 3.44Å; E69-K73 WeakPolarHBondContact O-CD 3.39Å; E69-K73 VanDerWaalsContact O-CG 3.25Å; E69-K73 WeakPolarHBondContact O-CG 3.39Å; E69-K73 PolarHBondContact O-N 2.82Å; E69-K73 IonicContact OE2-NZ 2.67Å; E69-K73 PolarHBondContact OE2-NZ 2.91Å; E69-K73 VanDerWaalsContact OE2-NZ 3.14Å
70D93.6Very high91.4Very high14 Ų1460.5 Ų60.58%0.07529%0.285CS..Hα-helixtrans-70.5-44-178.5-58.2-43.4000109.5F5 Y61 K64 L67 Q72 K73 A74F5-D70 HydrophobicContact CD1-CB 4.29Å; F5-D70 HydrophobicContact CD2-CB 3.94Å; F5-D70 HydrophobicContact CE1-CB 4.12Å; F5-D70 HydrophobicContact CE2-CB 3.75Å; F5-D70 HydrophobicContact CG-CB 4.2Å; F5-D70 HydrophobicContact CZ-CB 3.84Å; Y61-D70 PolarHBondContact OH-OD2 2.82Å; K64-D70 WeakPolarHBondContact CD-OD2 3.44Å; K64-D70 VanDerWaalsContact NZ-CG 3.25Å; K64-D70 IonicContact NZ-OD1 2.9Å; K64-D70 PolarHBondContact NZ-OD1 3.33Å; K64-D70 IonicContact NZ-OD2 2.86Å; K64-D70 PolarHBondContact NZ-OD2 2.89Å; L67-D70 PolarHBondContact O-N 3.38Å; D70-Q72 VanDerWaalsContact C-N 3.35Å; D70-Q72 PolarHBondContact O-N 2.86Å; D70-K73 PolarHBondContact O-N 2.88Å; D70-A74 VanDerWaalsContact O-CB 3.31Å; D70-A74 WeakPolarHBondContact O-CB 3.34Å; D70-A74 PolarHBondContact O-N 2.81Å
71I92.3Very high90.1Very high0 Ų059.1 Ų59.10%028%0.277CS..Hα-helixtrans-59.7-44.4171.8-66.5171000110.8F5 L67 K73 A74 V77 E88 T89 K92 K94F5-I71 HydrophobicContact CD1-CG1 3.96Å; F5-I71 HydrophobicContact CE1-CG1 3.82Å; L67-I71 HydrophobicContact CB-CD1 4.2Å; L67-I71 WeakPolarHBondContact O-CG1 3.45Å; L67-I71 PolarHBondContact O-N 2.88Å; I71-K73 PolarHBondContact O-N 2.93Å; I71-A74 PolarHBondContact O-N 3.22Å; I71-V77 HydrophobicContact CG2-CG2 4.39Å; I71-E88 HydrophobicContact CD1-CB 4.17Å; I71-E88 HydrophobicContact CD1-CG 3.83Å; I71-T89 HydrophobicContact CG2-CG2 4.49Å; I71-K92 HydrophobicContact CG2-CB 4.2Å; I71-K92 HydrophobicContact CG2-CG 4.16Å; I71-K94 HydrophobicContact CG2-CG 4.19Å; I71-K94 VanDerWaalsContact O-CE 3.32Å; I71-K94 WeakPolarHBondContact O-CE 3.41Å
72Q92.6Very high89.1Confident114 Ų11457.9 Ų57.953%0.53328%0.278SS..Hα-helixtrans-66.6-36.3-179.1-179.1171.7-15.100112.8K68 E69 D70 K94K68-Q72 WeakPolarHBondContact O-CB 3.31Å; K68-Q72 PolarHBondContact O-N 3.39Å; E69-Q72 PolarHBondContact O-N 2.99Å; D70-Q72 VanDerWaalsContact C-N 3.35Å; D70-Q72 PolarHBondContact O-N 2.86Å; Q72-K94 WeakPolarHBondContact O-CE 3.25Å; Q72-K94 PolarHBondContact O-NZ 3.44Å
73K93.3Very high88.1Confident133 Ų13356.1 Ų56.158%0.57828%0.283SS*.Hα-helixtrans-81.1-19.9178.2-70.6167.3-175.9161.10112.7E69 D70 I71E69-K73 WeakPolarHBondContact O-CB 3.44Å; E69-K73 WeakPolarHBondContact O-CD 3.39Å; E69-K73 VanDerWaalsContact O-CG 3.25Å; E69-K73 WeakPolarHBondContact O-CG 3.39Å; E69-K73 PolarHBondContact O-N 2.82Å; E69-K73 IonicContact OE2-NZ 2.67Å; E69-K73 PolarHBondContact OE2-NZ 2.91Å; E69-K73 VanDerWaalsContact OE2-NZ 3.14Å; D70-K73 PolarHBondContact O-N 2.88Å; I71-K73 PolarHBondContact O-N 2.93Å
74A95.4Very high87.6Confident0 Ų051.8 Ų51.80%028%0.281CS..  trans-69.1142178.400000112.2F5 D70 I71 V77 K94F5-A74 HydrophobicContact CB-CB 3.64Å; D70-A74 VanDerWaalsContact O-CB 3.31Å; D70-A74 WeakPolarHBondContact O-CB 3.34Å; D70-A74 PolarHBondContact O-N 2.81Å; I71-A74 PolarHBondContact O-N 3.22Å; A74-V77 HydrophobicContact CB-CG2 3.85Å; A74-K94 WeakPolarHBondContact O-CE 3.34Å; A74-K94 PolarHBondContact O-NZ 3.03Å
75D95.4Very high87.2Confident68 Ų6848.1 Ų48.136%0.36427%0.267SS..SBendtrans-92-21.6168-60.4-80.2000111.2K2 C3 Y34 P95K2-D75 WeakPolarHBondContact CA-OD2 3.33Å; C3-D75 PolarHBondContact N-OD2 3.25Å; C3-D75 PolarHBondContact O-N 3.12Å; Y34-D75 HydrophobicContact CE1-CB 4.07Å; D75-P95 WeakPolarHBondContact O-CG 3.49Å
76L94.6Very high87Confident32 Ų3239.8 Ų39.817%0.16822%0.223CC..EExtended strand (participates in β ladder)trans-144.2132.5173.7175.164000109.5C3 V4 F5 Y34 I78 P95 V97C3-L76 PolarHBondContact O-N 3.15Å; V4-L76 WeakPolarHBondContact CA-O 3.47Å; V4-L76 HydrophobicContact CG1-CD2 4.31Å; V4-L76 HydrophobicContact CG1-CG 4.45Å; V4-L76 HydrophobicContact CG2-CB 4.42Å; V4-L76 HydrophobicContact CG2-CD2 4.3Å; F5-L76 PolarHBondContact N-O 3.33Å; Y34-L76 HydrophobicContact CE1-CB 4.03Å; L76-I78 HydrophobicContact CD2-CG1 4.41Å; L76-I78 HydrophobicContact CG-CG1 4.36Å; L76-P95 HydrophobicContact CD1-CB 4.14Å; L76-V97 HydrophobicContact CD1-CG2 3.97Å
77V94.4Very high86.8Confident0 Ų041.7 Ų41.70%023%0.229CC..EExtended strand (participates in β ladder)trans-109.9129.3172-178.60000109.8F5 T7 I71 A74 T89 K94 P95 L96 V97F5-V77 HydrophobicContact CD1-CG1 4.2Å; F5-V77 HydrophobicContact CD1-CG2 4.45Å; F5-V77 CarbonylContact O-C 3.54Å; F5-V77 VanDerWaalsContact O-CA 3.31Å; F5-V77 WeakPolarHBondContact O-CA 3.34Å; T7-V77 HydrophobicContact CG2-CG1 4.46Å; I71-V77 HydrophobicContact CG2-CG2 4.39Å; A74-V77 HydrophobicContact CB-CG2 3.85Å; V77-T89 HydrophobicContact CB-CG2 3.72Å; V77-T89 HydrophobicContact CG1-CG2 4.08Å; V77-T89 HydrophobicContact CG2-CG2 3.8Å; V77-K94 HydrophobicContact CG2-CB 4.42Å; V77-P95 PolarHBondContact N-O 3.19Å; V77-L96 HydrophobicContact CB-CD1 4.28Å; V77-L96 HydrophobicContact CG1-CD1 4.05Å; V77-L96 CarbonylContact O-C 3.58Å; V77-L96 WeakPolarHBondContact O-CA 3.46Å; V77-V97 PolarHBondContact O-N 3.32Å
78I92.6Very high86.6Confident23 Ų2342.3 Ų42.312%0.11823%0.231CC..EExtended strand (participates in β ladder)trans-111.1118.7171-52.9179.7000107.5V4 F5 V6 T7 L76 V97 V99V4-I78 HydrophobicContact CG1-CD1 3.84Å; V4-I78 HydrophobicContact CG1-CG1 4.08Å; F5-I78 PolarHBondContact O-N 3.05Å; V6-I78 CarbonylContact C-O 3.52Å; V6-I78 VanDerWaalsContact CA-O 3.24Å; V6-I78 WeakPolarHBondContact CA-O 3.47Å; V6-I78 HydrophobicContact CB-CB 4.47Å; V6-I78 HydrophobicContact CG1-CB 4.23Å; V6-I78 HydrophobicContact CG1-CG2 4.36Å; V6-I78 HydrophobicContact CG2-CB 4.09Å; V6-I78 HydrophobicContact CG2-CD1 4.25Å; V6-I78 HydrophobicContact CG2-CG1 4.47Å; T7-I78 PolarHBondContact N-O 3.49Å; L76-I78 HydrophobicContact CD2-CG1 4.41Å; L76-I78 HydrophobicContact CG-CG1 4.36Å; I78-V97 CarbonylContact C-O 3.51Å; I78-V97 VanDerWaalsContact CA-O 3.3Å; I78-V97 WeakPolarHBondContact CA-O 3.33Å; I78-V97 HydrophobicContact CG1-CB 4.34Å; I78-V99 HydrophobicContact CG2-CG2 3.57Å
79S89.2Confident86.4Confident0 Ų036.7 Ų36.70%021%0.207CC..EExtended strand (participates in β ladder)trans-126.1135.3-175.5-165.50000111.3T7 S85 V97 V98 V99T7-S79 WeakPolarHBondContact O-CA 3.39Å; S79-S85 WeakPolarHBondContact OG-CB 3.38Å; S79-V97 PolarHBondContact N-O 3.25Å; S79-V98 CarbonylContact O-C 3.52Å; S79-V98 VanDerWaalsContact O-CA 3.31Å; S79-V98 WeakPolarHBondContact O-CA 3.49Å; S79-V99 PolarHBondContact O-N 3.46Å
80H82.9Confident86Confident6 Ų633.6 Ų33.63%0.02819%0.193CC..EExtended strand (participates in β ladder)trans-56.2136.3153.5169-114.2000107.7T7 V8 T11 F13 G82 V99T7-H80 PolarHBondContact O-N 2.93Å; V8-H80 HydrophobicContact CB-CB 4.3Å; V8-H80 HydrophobicContact CG1-CB 4.39Å; T11-H80 PolarHBondContact OG1-CE1 3.19Å; T11-H80 PolarHBondContact OG1-ND1 2.84Å; F13-H80 HydrophobicContact CD1-CB 3.92Å; F13-H80 AromaticContact CD1-CD2 3.58Å; F13-H80 AromaticContact CD1-CG 3.98Å; F13-H80 HydrophobicContact CE1-CB 4.5Å; F13-H80 AromaticContact CE1-CD2 3.92Å; H80-G82 PolarHBondContact O-N 3.39Å; H80-V99 WeakPolarHBondContact CA-O 3.49Å
81A70.4Confident85.7Confident3 Ų340.4 Ų40.43%0.02523%0.225CC..SBendtrans-57.531.5-174.900000117.7A83 V98 Q109A81-A83 PolarHBondContact O-N 2.93Å; A81-V98 HydrophobicContact CB-CG1 3.44Å; A81-V98 VanDerWaalsContact CB-CG1 3.44Å; A81-Q109 HydrophobicContact CB-CB 3.9Å; A81-Q109 HydrophobicContact CB-CG 4.38Å; A81-Q109 WeakPolarHBondContact O-CG 3.48Å
82G74.3Confident85.3Confident21 Ų2144.9 Ų44.922%0.21624%0.244CC..  trans-62.6124.7165.600000110.8H80 G84 S85 C86H80-G82 PolarHBondContact O-N 3.39Å; G82-G84 VanDerWaalsContact C-N 3.29Å; G82-G84 PolarHBondContact O-N 3.38Å; G82-S85 PolarHBondContact O-N 3.36Å; G82-C86 PolarHBondContact O-N 3.31Å; G82-C86 VanDerWaalsContact O-N 3.13Å; G82-C86 PolarHBondContact O-SG 3.27Å
83A72.6Confident85Confident51 Ų5142.7 Ų42.742%0.42125%0.252SS..Hα-helixtrans-56-40.2-175.300000113.1A81 C86 L87 L112A81-A83 PolarHBondContact O-N 2.93Å; A83-C86 PolarHBondContact O-N 3.22Å; A83-L87 VanDerWaalsContact O-CB 3.31Å; A83-L87 WeakPolarHBondContact O-CB 3.25Å; A83-L87 WeakPolarHBondContact O-CD1 3.5Å; A83-L87 WeakPolarHBondContact O-CG 3.24Å; A83-L87 PolarHBondContact O-N 3.46Å; A83-L112 HydrophobicContact CB-CD2 4.4Å
84G79Confident84.9Confident51 Ų5138.8 Ų38.853%0.52624%0.235SC..Hα-helixtrans-61.8-55.3-178.900000113.2G82 C86 L87 E88G82-G84 VanDerWaalsContact C-N 3.29Å; G82-G84 PolarHBondContact O-N 3.38Å; G84-C86 VanDerWaalsContact C-N 3.31Å; G84-C86 PolarHBondContact O-N 3.25Å; G84-L87 PolarHBondContact O-N 3.4Å; G84-E88 WeakPolarHBondContact O-CB 3.02Å; G84-E88 PolarHBondContact O-N 3.28Å
85S79.3Confident84.6Confident16 Ų1642.3 Ų42.311%0.11226%0.258CS..Hα-helixtrans-63.2-37.1179.5-54.40000112.4S79 G82 T89S79-S85 WeakPolarHBondContact OG-CB 3.38Å; G82-S85 PolarHBondContact O-N 3.36Å; S85-T89 WeakPolarHBondContact O-CB 3.38Å; S85-T89 PolarHBondContact O-N 3.47Å; S85-T89 VanDerWaalsContact O-N 3.1Å; S85-T89 PolarHBondContact O-OG1 2.92Å
86C81Confident84.3Confident4 Ų439.3 Ų39.33%0.02724%0.242CC..Hα-helixtrans-65.9-51.1176.7-66.50000111.4G82 A83 G84 E88 T89 L90 L96G82-C86 PolarHBondContact O-N 3.31Å; G82-C86 VanDerWaalsContact O-N 3.13Å; G82-C86 PolarHBondContact O-SG 3.27Å; A83-C86 PolarHBondContact O-N 3.22Å; G84-C86 VanDerWaalsContact C-N 3.31Å; G84-C86 PolarHBondContact O-N 3.25Å; C86-E88 PolarHBondContact O-N 2.61Å; C86-T89 PolarHBondContact O-N 2.71Å; C86-L90 VanDerWaalsContact O-CG 3.25Å; C86-L90 WeakPolarHBondContact O-CG 3.5Å; C86-L90 PolarHBondContact O-N 2.99Å; C86-L96 HydrophobicContact CB-CD2 4.1Å
87L80.8Confident84.1Confident89 Ų8939.3 Ų39.347%0.46624%0.243SC..Hα-helixtrans-60.4-45.6179.5-72.2169.4000111.4A83 G84 T89 L90 E91A83-L87 VanDerWaalsContact O-CB 3.31Å; A83-L87 WeakPolarHBondContact O-CB 3.25Å; A83-L87 WeakPolarHBondContact O-CD1 3.5Å; A83-L87 WeakPolarHBondContact O-CG 3.24Å; A83-L87 PolarHBondContact O-N 3.46Å; G84-L87 PolarHBondContact O-N 3.4Å; L87-T89 VanDerWaalsContact C-N 3.3Å; L87-T89 PolarHBondContact O-N 3.13Å; L87-L90 PolarHBondContact O-N 3.1Å; L87-E91 WeakPolarHBondContact O-CB 3.34Å; L87-E91 WeakPolarHBondContact O-CG 3.37Å; L87-E91 PolarHBondContact O-N 2.9Å
88E84.4Confident83.8Confident40 Ų4039.4 Ų39.419%0.18724%0.243CC..Hα-helixtrans-62.2-37.7179.1-170.6177.4166.900112.4K68 I71 G84 C86 K92K68-E88 VanDerWaalsContact CA-OE1 3.26Å; K68-E88 WeakPolarHBondContact CA-OE1 3.18Å; K68-E88 WeakPolarHBondContact CG-OE1 3.3Å; K68-E88 PolarHBondContact N-OE1 2.67Å; I71-E88 HydrophobicContact CD1-CB 4.17Å; I71-E88 HydrophobicContact CD1-CG 3.83Å; G84-E88 WeakPolarHBondContact O-CB 3.02Å; G84-E88 PolarHBondContact O-N 3.28Å; C86-E88 PolarHBondContact O-N 2.61Å; E88-K92 VanDerWaalsContact O-CG 3.25Å; E88-K92 WeakPolarHBondContact O-CG 3.5Å; E88-K92 PolarHBondContact O-N 2.97Å
89T85.3Confident83.5Confident0 Ų038.4 Ų38.40%024%0.238CC..Hα-helixtrans-66.9-43.2175.4-570000111.7I71 V77 S85 C86 L87 K92 G93 K94 L96I71-T89 HydrophobicContact CG2-CG2 4.49Å; V77-T89 HydrophobicContact CB-CG2 3.72Å; V77-T89 HydrophobicContact CG1-CG2 4.08Å; V77-T89 HydrophobicContact CG2-CG2 3.8Å; S85-T89 WeakPolarHBondContact O-CB 3.38Å; S85-T89 PolarHBondContact O-N 3.47Å; S85-T89 VanDerWaalsContact O-N 3.1Å; S85-T89 PolarHBondContact O-OG1 2.92Å; C86-T89 PolarHBondContact O-N 2.71Å; L87-T89 VanDerWaalsContact C-N 3.3Å; L87-T89 PolarHBondContact O-N 3.13Å; T89-K92 PolarHBondContact O-N 2.89Å; T89-G93 PolarHBondContact O-N 3.04Å; T89-K94 HydrophobicContact CG2-CB 3.69Å; T89-K94 PolarHBondContact O-N 3.4Å; T89-K94 VanDerWaalsContact O-N 3.17Å; T89-L96 HydrophobicContact CG2-CB 3.85Å; T89-L96 HydrophobicContact CG2-CD1 4.01Å; T89-L96 HydrophobicContact CG2-CD2 4.39Å; T89-L96 HydrophobicContact CG2-CG 4.28Å
90L83.7Confident83.1Confident40 Ų4039.2 Ų39.221%0.20924%0.243CC..Hα-helixtrans-65.8-42.9178.4-70.5169.7000112.1C86 L87 K92 G93 L96 L116 H121C86-L90 VanDerWaalsContact O-CG 3.25Å; C86-L90 WeakPolarHBondContact O-CG 3.5Å; C86-L90 PolarHBondContact O-N 2.99Å; L87-L90 PolarHBondContact O-N 3.1Å; L90-K92 PolarHBondContact O-N 3.35Å; L90-G93 PolarHBondContact O-N 3.47Å; L90-L96 HydrophobicContact CD2-CD2 4.38Å; L90-L96 HydrophobicContact CG-CD2 4.17Å; L90-L116 HydrophobicContact CD1-CD1 3.73Å; L90-L116 HydrophobicContact CD1-CD2 3.68Å; L90-L116 HydrophobicContact CD1-CG 4.31Å; L90-H121 HydrophobicContact CD2-CB 3.8Å
91E85.6Confident82.9Confident158 Ų15839.2 Ų39.274%0.73824%0.243SC*.Hα-helixtrans-58.2-30.7174.3-76.6177.8179.300112.3L87 G93L87-E91 WeakPolarHBondContact O-CB 3.34Å; L87-E91 WeakPolarHBondContact O-CG 3.37Å; L87-E91 PolarHBondContact O-N 2.9Å; E91-G93 VanDerWaalsContact C-N 3.32Å
92K85.7Confident83.1Confident94 Ų9443.9 Ų43.941%0.40926%0.264SS..THydrogen-bonded Turntrans-86.1-0.4176.5-65.6-69.3-179.5177.30113.6I71 E88 T89 L90 K94I71-K92 HydrophobicContact CG2-CB 4.2Å; I71-K92 HydrophobicContact CG2-CG 4.16Å; E88-K92 VanDerWaalsContact O-CG 3.25Å; E88-K92 WeakPolarHBondContact O-CG 3.5Å; E88-K92 PolarHBondContact O-N 2.97Å; T89-K92 PolarHBondContact O-N 2.89Å; L90-K92 PolarHBondContact O-N 3.35Å; K92-K94 HydrophobicContact CB-CG 3.86Å; K92-K94 PolarHBondContact O-N 3.46Å
93G86.1Confident82.9Confident68 Ų6850.2 Ų50.270%0.70129%0.286SS*.THydrogen-bonded Turntrans61.528.3-178.900000113.1T89 L90 E91T89-G93 PolarHBondContact O-N 3.04Å; L90-G93 PolarHBondContact O-N 3.47Å; E91-G93 VanDerWaalsContact C-N 3.32Å
94K90.1Very high82.6Confident51 Ų5152 Ų5222%0.22229%0.288CS..  trans-88.7143.3-176.5-67.8-63.9-170.3162.80111.1I71 Q72 A74 V77 T89 K92 L96I71-K94 HydrophobicContact CG2-CG 4.19Å; I71-K94 VanDerWaalsContact O-CE 3.32Å; I71-K94 WeakPolarHBondContact O-CE 3.41Å; Q72-K94 WeakPolarHBondContact O-CE 3.25Å; Q72-K94 PolarHBondContact O-NZ 3.44Å; A74-K94 WeakPolarHBondContact O-CE 3.34Å; A74-K94 PolarHBondContact O-NZ 3.03Å; V77-K94 HydrophobicContact CG2-CB 4.42Å; T89-K94 HydrophobicContact CG2-CB 3.69Å; T89-K94 PolarHBondContact O-N 3.4Å; T89-K94 VanDerWaalsContact O-N 3.17Å; K92-K94 HydrophobicContact CB-CG 3.86Å; K92-K94 PolarHBondContact O-N 3.46Å; K94-L96 PolarHBondContact O-N 2.86Å
95P90.1Very high81.5Confident74 Ų7454.1 Ų54.148%0.48129%0.285SS..  trans-57124.9171-24.335000110.7D75 L76 V77D75-P95 WeakPolarHBondContact O-CG 3.49Å; L76-P95 HydrophobicContact CD1-CB 4.14Å; V77-P95 PolarHBondContact N-O 3.19Å
96L89.4Confident80.5Confident4 Ų458.6 Ų58.62%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-121.8127.5-175.9177.860.2000110.7V77 C86 T89 L90 K94 V98 L122 F123V77-L96 HydrophobicContact CB-CD1 4.28Å; V77-L96 HydrophobicContact CG1-CD1 4.05Å; V77-L96 CarbonylContact O-C 3.58Å; V77-L96 WeakPolarHBondContact O-CA 3.46Å; C86-L96 HydrophobicContact CB-CD2 4.1Å; T89-L96 HydrophobicContact CG2-CB 3.85Å; T89-L96 HydrophobicContact CG2-CD1 4.01Å; T89-L96 HydrophobicContact CG2-CD2 4.39Å; T89-L96 HydrophobicContact CG2-CG 4.28Å; L90-L96 HydrophobicContact CD2-CD2 4.38Å; L90-L96 HydrophobicContact CG-CD2 4.17Å; K94-L96 PolarHBondContact O-N 2.86Å; L96-V98 HydrophobicContact CD1-CG2 4.32Å; L96-V98 HydrophobicContact CD2-CG2 3.96Å; L96-V98 HydrophobicContact CG-CG2 3.92Å; L96-L122 HydrophobicContact CB-CB 4.14Å; L96-L122 HydrophobicContact CD2-CB 4.33Å; L96-L122 HydrophobicContact CD2-CD2 3.96Å; L96-L122 HydrophobicContact CG-CB 4.24Å; L96-L122 WeakPolarHBondContact O-CB 3.42Å; L96-F123 PolarHBondContact O-N 2.69Å; L96-F123 VanDerWaalsContact O-N 3.13Å
97V89.6Confident79.5Confident33 Ų3363.7 Ų63.720%0.234%0.335CS..EExtended strand (participates in β ladder)trans-110119.5165.9175.70000108.6L76 V77 I78 S79 F123L76-V97 HydrophobicContact CD1-CG2 3.97Å; V77-V97 PolarHBondContact O-N 3.32Å; I78-V97 CarbonylContact C-O 3.51Å; I78-V97 VanDerWaalsContact CA-O 3.3Å; I78-V97 WeakPolarHBondContact CA-O 3.33Å; I78-V97 HydrophobicContact CG1-CB 4.34Å; S79-V97 PolarHBondContact N-O 3.25Å; V97-F123 CarbonylContact C-O 3.49Å; V97-F123 VanDerWaalsContact CA-O 3.28Å; V97-F123 WeakPolarHBondContact CA-O 3.43Å; V97-F123 HydrophobicContact CG2-CB 4.43Å
98V87.3Confident78.8Confident1 Ų166.3 Ų66.31%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-95.3119.6177.9177.40000110S79 A81 L96 A113 L122 F123 Y124 C125S79-V98 CarbonylContact O-C 3.52Å; S79-V98 VanDerWaalsContact O-CA 3.31Å; S79-V98 WeakPolarHBondContact O-CA 3.49Å; A81-V98 HydrophobicContact CB-CG1 3.44Å; A81-V98 VanDerWaalsContact CB-CG1 3.44Å; L96-V98 HydrophobicContact CD1-CG2 4.32Å; L96-V98 HydrophobicContact CD2-CG2 3.96Å; L96-V98 HydrophobicContact CG-CG2 3.92Å; V98-A113 HydrophobicContact CG1-CB 4.2Å; V98-L122 HydrophobicContact CB-CD1 4.27Å; V98-L122 HydrophobicContact CG2-CD1 3.96Å; V98-L122 HydrophobicContact CG2-CD2 3.69Å; V98-L122 HydrophobicContact CG2-CG 4.33Å; V98-F123 PolarHBondContact N-O 2.86Å; V98-Y124 CarbonylContact O-C 3.6Å; V98-Y124 WeakPolarHBondContact O-CA 3.38Å; V98-Y124 WeakPolarHBondContact O-CB 3.33Å; V98-C125 PolarHBondContact O-N 3.34Å
99V86.4Confident77.8Confident2 Ų266.9 Ų66.91%0.01235%0.347CS..EExtended strand (participates in β ladder)trans-98.2119.3173.3-168.20000109.9F13 L16 I78 S79 H80 C125F13-V99 HydrophobicContact CE1-CB 4.38Å; F13-V99 HydrophobicContact CE1-CG1 4.12Å; F13-V99 HydrophobicContact CZ-CG1 4.19Å; L16-V99 HydrophobicContact CD1-CB 4.04Å; L16-V99 HydrophobicContact CD1-CG1 4.06Å; L16-V99 HydrophobicContact CD1-CG2 3.8Å; L16-V99 HydrophobicContact CD2-CB 4.23Å; L16-V99 HydrophobicContact CD2-CG2 4.44Å; I78-V99 HydrophobicContact CG2-CG2 3.57Å; S79-V99 PolarHBondContact O-N 3.46Å; H80-V99 WeakPolarHBondContact CA-O 3.49Å; V99-C125 WeakPolarHBondContact CA-O 3.31Å
100I81.9Confident77.1Confident17 Ų1768.5 Ų68.59%0.08736%0.355CS..EExtended strand (participates in β ladder)trans-80.7126.6-179-62.5154.3000109.2E102 L110 Y124 C125I100-E102 PolarHBondContact O-N 3.35Å; I100-L110 HydrophobicContact CD1-CD1 3.48Å; I100-L110 VanDerWaalsContact CD1-CD1 3.48Å; I100-L110 HydrophobicContact CG1-CD1 4.39Å; I100-Y124 HydrophobicContact CD1-CD2 3.54Å; I100-Y124 HydrophobicContact CD1-CE2 4.15Å; I100-Y124 HydrophobicContact CD1-CG 4.33Å; I100-C125 PolarHBondContact N-O 2.94Å
101N78.8Confident76.5Confident6 Ų672.2 Ų72.23%0.03237%0.372CS..  trans-84.8101.1169.8-170.7-16.4000110.1F13 K103 L104F13-N101 HydrophobicContact CD1-CB 3.9Å; F13-N101 HydrophobicContact CD2-CB 4.12Å; F13-N101 VanDerWaalsContact CD2-ND2 3.34Å; F13-N101 WeakPolarHBondContact CD2-ND2 3.42Å; F13-N101 HydrophobicContact CE1-CB 3.58Å; F13-N101 HydrophobicContact CE2-CB 3.79Å; F13-N101 HydrophobicContact CG-CB 4.17Å; F13-N101 VanDerWaalsContact CZ-CA 3.41Å; F13-N101 HydrophobicContact CZ-CB 3.52Å; N101-K103 PolarHBondContact O-N 2.92Å; N101-K103 WeakPolarHBondContact OD1-CB 3.31Å; N101-K103 PolarHBondContact OD1-N 2.93Å; N101-L104 HydrophobicContact CB-CB 4.34Å; N101-L104 VanDerWaalsContact ND2-CD1 3.3Å; N101-L104 WeakPolarHBondContact ND2-CD1 3.43Å; N101-L104 PolarHBondContact O-N 2.78Å; N101-L104 PolarHBondContact OD1-N 2.82Å
102E73.1Confident75.9Confident102 Ų10267.7 Ų67.748%0.47735%0.352SS..G310 helixtrans-63.6-21.7178.3-60.2-175.2109.100112.8I100 T126 R128I100-E102 PolarHBondContact O-N 3.35Å; E102-T126 HydrophobicContact CG-CG2 4.3Å; E102-R128 IonicContact OE2-NE 3.76Å
103K70Confident75.2Confident153 Ų15363.3 Ų63.367%0.66533%0.334SS*.G310 helixtrans-83-22.8-179-61.3175.7174.9169.80113.5D15 N101D15-K103 IonicContact OD1-NZ 3.62Å; D15-K103 PolarHBondContact OD1-NZ 2.8Å; D15-K103 WeakPolarHBondContact OD2-CD 3.29Å; D15-K103 WeakPolarHBondContact OD2-CE 3.25Å; D15-K103 IonicContact OD2-NZ 3.97Å; D15-K103 PolarHBondContact OD2-NZ 2.89Å; N101-K103 PolarHBondContact O-N 2.92Å; N101-K103 WeakPolarHBondContact OD1-CB 3.31Å; N101-K103 PolarHBondContact OD1-N 2.93Å
104L66.6Low74.6Confident88 Ų8865 Ų6546%0.46132%0.322SS..G310 helixtrans-10716.8179.8-74.1174.5000112.3N101 N106N101-L104 HydrophobicContact CB-CB 4.34Å; N101-L104 VanDerWaalsContact ND2-CD1 3.3Å; N101-L104 WeakPolarHBondContact ND2-CD1 3.43Å; N101-L104 PolarHBondContact O-N 2.78Å; N101-L104 PolarHBondContact OD1-N 2.82Å; L104-N106 PolarHBondContact O-N 3.14Å
105M57.3Low73.8Confident97 Ų9767.3 Ų67.348%0.47833%0.333SS..  trans-57.3100.9-161.5-159.5175.1176.300112.9L110M105-L110 HydrophobicContact CE-CD2 3.78Å
106N58.4Low73Confident110 Ų11064.8 Ų64.859%0.58832%0.316SS*.  trans-99.8122.1161-78.5-26000107.4L104 H108 Q109L104-N106 PolarHBondContact O-N 3.14Å; N106-H108 PolarHBondContact O-N 2.85Å; N106-Q109 PolarHBondContact O-N 3.1Å; N106-Q109 VanDerWaalsContact O-N 3.1Å
107N59.6Low72.3Confident110 Ų11068.2 Ų68.259%0.58833%0.332SS*.Hα-helixtrans-51.5-30-173.3-71.7-27.7000114.1Q109 L110 E111N107-Q109 VanDerWaalsContact C-N 3.34Å; N107-Q109 PolarHBondContact O-N 2.7Å; N107-L110 PolarHBondContact O-N 2.96Å; N107-E111 PolarHBondContact O-N 3.26Å; N107-E111 VanDerWaalsContact O-N 3.12Å
108H65.6Low71.5Confident145 Ų14575 Ų7567%0.67136%0.358SS*.Hα-helixtrans-61.5-32.9-179.6-62.7-54.7000114.8N106 E111 L112N106-H108 PolarHBondContact O-N 2.85Å; H108-E111 IonicContact ND1-OE2 3.14Å; H108-L112 PolarHBondContact O-N 3.05Å; H108-L112 VanDerWaalsContact O-N 3.15Å
109Q64.4Low70.7Confident52 Ų5279.8 Ų79.824%0.24338%0.381CS..Hα-helixtrans-71.5-37.1178.8-70.8-177.60.600111.8A81 N106 N107 L112 A113A81-Q109 HydrophobicContact CB-CB 3.9Å; A81-Q109 HydrophobicContact CB-CG 4.38Å; A81-Q109 WeakPolarHBondContact O-CG 3.48Å; N106-Q109 PolarHBondContact O-N 3.1Å; N106-Q109 VanDerWaalsContact O-N 3.1Å; N107-Q109 VanDerWaalsContact C-N 3.34Å; N107-Q109 PolarHBondContact O-N 2.7Å; Q109-L112 PolarHBondContact O-N 3.5Å; Q109-A113 PolarHBondContact O-N 3.4Å
110L68.6Low70.1Confident33 Ų3382.9 Ų82.917%0.17341%0.413CS..Hα-helixtrans-67.9-39.6176.6-178.963.9000111.3I100 M105 N107 A113 K114I100-L110 HydrophobicContact CD1-CD1 3.48Å; I100-L110 VanDerWaalsContact CD1-CD1 3.48Å; I100-L110 HydrophobicContact CG1-CD1 4.39Å; M105-L110 HydrophobicContact CE-CD2 3.78Å; N107-L110 PolarHBondContact O-N 2.96Å; L110-A113 PolarHBondContact O-N 2.88Å; L110-K114 HydrophobicContact CD1-CD 4.43Å; L110-K114 HydrophobicContact CD1-CG 4.38Å; L110-K114 HydrophobicContact CG-CD 4.11Å; L110-K114 HydrophobicContact CG-CG 4.47Å; L110-K114 WeakPolarHBondContact O-CB 2.84Å; L110-K114 VanDerWaalsContact O-CG 3.27Å; L110-K114 WeakPolarHBondContact O-CG 3.26Å; L110-K114 PolarHBondContact O-N 3.44Å
111E72.6Confident69.4Low119 Ų11987 Ų8756%0.55643%0.432SS*.Hα-helixtrans-61.1-45.8175.4-73.4176.1166.200111.6N107 H108 K114 Q115N107-E111 PolarHBondContact O-N 3.26Å; N107-E111 VanDerWaalsContact O-N 3.12Å; H108-E111 IonicContact ND1-OE2 3.14Å; E111-K114 PolarHBondContact O-N 3.3Å; E111-Q115 WeakPolarHBondContact O-CB 3.41Å; E111-Q115 PolarHBondContact O-N 2.79Å
112L71.6Confident69.2Low62 Ų6287 Ų8733%0.32543%0.432SS..Hα-helixtrans-60.2-48.3176.2-178.662.9000111.6A83 H108 Q109 K114 Q115 L116A83-L112 HydrophobicContact CB-CD2 4.4Å; H108-L112 PolarHBondContact O-N 3.05Å; H108-L112 VanDerWaalsContact O-N 3.15Å; Q109-L112 PolarHBondContact O-N 3.5Å; L112-K114 PolarHBondContact O-N 3.43Å; L112-Q115 PolarHBondContact O-N 3.24Å; L112-L116 HydrophobicContact CD1-CD1 3.75Å; L112-L116 HydrophobicContact CD1-CG 4.24Å; L112-L116 HydrophobicContact CG-CD1 3.76Å; L112-L116 WeakPolarHBondContact O-CB 3.18Å; L112-L116 WeakPolarHBondContact O-CD1 3.3Å; L112-L116 WeakPolarHBondContact O-CG 3.31Å; L112-L116 PolarHBondContact O-N 3.39Å
113A72.3Confident69.4Low3 Ų389.3 Ų89.33%0.02544%0.44CS..Hα-helixtrans-61.8-41.7178.600000112.3V98 Q109 L110 H117 Y124V98-A113 HydrophobicContact CG1-CB 4.2Å; Q109-A113 PolarHBondContact O-N 3.4Å; L110-A113 PolarHBondContact O-N 2.88Å; A113-H117 VanDerWaalsContact O-CB 3.28Å; A113-H117 WeakPolarHBondContact O-CB 3.34Å; A113-H117 PolarHBondContact O-N 2.56Å; A113-Y124 HydrophobicContact CB-CD1 4.48Å; A113-Y124 HydrophobicContact CB-CG 4.42Å
114K72.3Confident69.5Low103 Ų10386.3 Ų86.345%0.44843%0.425SS..Hα-helixtrans-63.5-43.6176.8-78.5174.8176.5176.80112.1L110 E111 L112 H117 K118 Y124L110-K114 HydrophobicContact CD1-CD 4.43Å; L110-K114 HydrophobicContact CD1-CG 4.38Å; L110-K114 HydrophobicContact CG-CD 4.11Å; L110-K114 HydrophobicContact CG-CG 4.47Å; L110-K114 WeakPolarHBondContact O-CB 2.84Å; L110-K114 VanDerWaalsContact O-CG 3.27Å; L110-K114 WeakPolarHBondContact O-CG 3.26Å; L110-K114 PolarHBondContact O-N 3.44Å; E111-K114 PolarHBondContact O-N 3.3Å; L112-K114 PolarHBondContact O-N 3.43Å; K114-H117 PolarHBondContact O-N 3.29Å; K114-K118 WeakPolarHBondContact O-CB 3.25Å; K114-K118 PolarHBondContact O-N 2.95Å; K114-Y124 HydrophobicContact CG-CE1 4.39Å
115Q73.8Confident69.9Low99 Ų9983.6 Ų83.646%0.46341%0.413SS..Hα-helixtrans-63.6-48.8179.9-172.769.59.900110.8E111 L112 H117 K118 E119E111-Q115 WeakPolarHBondContact O-CB 3.41Å; E111-Q115 PolarHBondContact O-N 2.79Å; L112-Q115 PolarHBondContact O-N 3.24Å; Q115-H117 VanDerWaalsContact C-N 3.33Å; Q115-H117 PolarHBondContact O-N 3.26Å; Q115-K118 WeakPolarHBondContact O-CB 3.37Å; Q115-K118 PolarHBondContact O-N 2.98Å; Q115-E119 PolarHBondContact NE2-OE1 2.89Å; Q115-E119 WeakPolarHBondContact O-CG 3.4Å; Q115-E119 PolarHBondContact O-N 3.17Å; Q115-E119 VanDerWaalsContact O-N 3.09Å
116L72.6Confident70.7Confident21 Ų2180.1 Ų80.111%0.1140%0.398CS..Hα-helixtrans-66.6-33.7179.6-69.4164.8000112.8L90 L112 E119 G120 H121 L122L90-L116 HydrophobicContact CD1-CD1 3.73Å; L90-L116 HydrophobicContact CD1-CD2 3.68Å; L90-L116 HydrophobicContact CD1-CG 4.31Å; L112-L116 HydrophobicContact CD1-CD1 3.75Å; L112-L116 HydrophobicContact CD1-CG 4.24Å; L112-L116 HydrophobicContact CG-CD1 3.76Å; L112-L116 WeakPolarHBondContact O-CB 3.18Å; L112-L116 WeakPolarHBondContact O-CD1 3.3Å; L112-L116 WeakPolarHBondContact O-CG 3.31Å; L112-L116 PolarHBondContact O-N 3.39Å; L116-E119 PolarHBondContact O-N 3.21Å; L116-G120 PolarHBondContact O-N 2.95Å; L116-H121 HydrophobicContact CD2-CB 4.45Å; L116-H121 WeakPolarHBondContact O-CB 3.34Å; L116-H121 PolarHBondContact O-N 3.22Å; L116-L122 HydrophobicContact CB-CD2 3.35Å; L116-L122 HydrophobicContact CB-CG 3.7Å; L116-L122 HydrophobicContact CD1-CD2 3.56Å; L116-L122 HydrophobicContact CG-CD2 4.09Å
117H75.4Confident70.8Confident77 Ų7776 Ų7636%0.35638%0.378SS..Hα-helixtrans-65.5-43.4172.3-178.562.8000112A113 K114 Q115 E119 G120 L122 Y124A113-H117 VanDerWaalsContact O-CB 3.28Å; A113-H117 WeakPolarHBondContact O-CB 3.34Å; A113-H117 PolarHBondContact O-N 2.56Å; K114-H117 PolarHBondContact O-N 3.29Å; Q115-H117 VanDerWaalsContact C-N 3.33Å; Q115-H117 PolarHBondContact O-N 3.26Å; H117-E119 PolarHBondContact O-N 3.31Å; H117-G120 PolarHBondContact O-N 2.88Å; H117-L122 WeakPolarHBondContact CA-O 3.14Å; H117-L122 HydrophobicContact CB-CD1 4.22Å; H117-L122 PolarHBondContact ND1-O 2.84Å; H117-Y124 HydrophobicContact CB-CD1 3.74Å; H117-Y124 HydrophobicContact CB-CE1 3.75Å; H117-Y124 AromaticContact CD2-CE1 3.84Å; H117-Y124 AromaticContact CG-CD1 3.94Å; H117-Y124 AromaticContact CG-CE1 3.78Å
118K73.3Confident70.8Confident174 Ų17479.9 Ų79.976%0.75738%0.384SS*.Hα-helixtrans-60.8-32.2176.5-172.8-178.5178.2-1750112.2K114 Q115 G120K114-K118 WeakPolarHBondContact O-CB 3.25Å; K114-K118 PolarHBondContact O-N 2.95Å; Q115-K118 WeakPolarHBondContact O-CB 3.37Å; Q115-K118 PolarHBondContact O-N 2.98Å; K118-G120 VanDerWaalsContact C-N 3.26Å
119E70.9Confident70.2Confident102 Ų10280.6 Ų80.648%0.47738%0.382SS..THydrogen-bonded Turntrans-83.81.6176.7-67.5169.9-167.400112.9Q115 L116 H117 H121Q115-E119 PolarHBondContact NE2-OE1 2.89Å; Q115-E119 WeakPolarHBondContact O-CG 3.4Å; Q115-E119 PolarHBondContact O-N 3.17Å; Q115-E119 VanDerWaalsContact O-N 3.09Å; L116-E119 PolarHBondContact O-N 3.21Å; H117-E119 PolarHBondContact O-N 3.31Å; E119-H121 VanDerWaalsContact C-N 3.3Å; E119-H121 WeakPolarHBondContact CB-CD2 3.25Å; E119-H121 PolarHBondContact O-N 3.24Å; E119-H121 IonicContact OE2-CD2 2.89Å
120G72.3Confident69.7Low67 Ų6779.9 Ų79.969%0.69139%0.385SS*.THydrogen-bonded Turntrans76.913.9176.100000114.3L116 H117 K118L116-G120 PolarHBondContact O-N 2.95Å; H117-G120 PolarHBondContact O-N 2.88Å; K118-G120 VanDerWaalsContact C-N 3.26Å
121H68.3Low68.6Low104 Ų10487 Ų8748%0.48141%0.409SS..SBendtrans-89.7-21.9-173.2-67.8-53.4000114.1L90 L116 E119L90-H121 HydrophobicContact CD2-CB 3.8Å; L116-H121 HydrophobicContact CD2-CB 4.45Å; L116-H121 WeakPolarHBondContact O-CB 3.34Å; L116-H121 PolarHBondContact O-N 3.22Å; E119-H121 VanDerWaalsContact C-N 3.3Å; E119-H121 WeakPolarHBondContact CB-CD2 3.25Å; E119-H121 PolarHBondContact O-N 3.24Å; E119-H121 IonicContact OE2-CD2 2.89Å
122L73.4Confident67.1Low7 Ų788.8 Ų88.84%0.03742%0.423CS..  trans-152.8162.6178.965.684.9000113.6L96 V98 L116 H117 Y124L96-L122 HydrophobicContact CB-CB 4.14Å; L96-L122 HydrophobicContact CD2-CB 4.33Å; L96-L122 HydrophobicContact CD2-CD2 3.96Å; L96-L122 HydrophobicContact CG-CB 4.24Å; L96-L122 WeakPolarHBondContact O-CB 3.42Å; V98-L122 HydrophobicContact CB-CD1 4.27Å; V98-L122 HydrophobicContact CG2-CD1 3.96Å; V98-L122 HydrophobicContact CG2-CD2 3.69Å; V98-L122 HydrophobicContact CG2-CG 4.33Å; L116-L122 HydrophobicContact CB-CD2 3.35Å; L116-L122 HydrophobicContact CB-CG 3.7Å; L116-L122 HydrophobicContact CD1-CD2 3.56Å; L116-L122 HydrophobicContact CG-CD2 4.09Å; H117-L122 WeakPolarHBondContact CA-O 3.14Å; H117-L122 HydrophobicContact CB-CD1 4.22Å; H117-L122 PolarHBondContact ND1-O 2.84Å; L122-Y124 HydrophobicContact CD1-CD1 4.3Å
123F77.4Confident66.9Low149 Ų14990.2 Ų90.265%0.65443%0.428SS*.EExtended strand (participates in β ladder)trans-102.7148.6162.4-68.2-83.3000109.3L96 V97 V98L96-F123 PolarHBondContact O-N 2.69Å; L96-F123 VanDerWaalsContact O-N 3.13Å; V97-F123 CarbonylContact C-O 3.49Å; V97-F123 VanDerWaalsContact CA-O 3.28Å; V97-F123 WeakPolarHBondContact CA-O 3.43Å; V97-F123 HydrophobicContact CG2-CB 4.43Å; V98-F123 PolarHBondContact N-O 2.86Å
124Y73.8Confident66.6Low90 Ų9094.7 Ų94.735%0.35345%0.449SS..EExtended strand (participates in β ladder)trans-130.2146.617269.8-93.6000111.3V98 I100 A113 K114 H117 L122V98-Y124 CarbonylContact O-C 3.6Å; V98-Y124 WeakPolarHBondContact O-CA 3.38Å; V98-Y124 WeakPolarHBondContact O-CB 3.33Å; I100-Y124 HydrophobicContact CD1-CD2 3.54Å; I100-Y124 HydrophobicContact CD1-CE2 4.15Å; I100-Y124 HydrophobicContact CD1-CG 4.33Å; A113-Y124 HydrophobicContact CB-CD1 4.48Å; A113-Y124 HydrophobicContact CB-CG 4.42Å; K114-Y124 HydrophobicContact CG-CE1 4.39Å; H117-Y124 HydrophobicContact CB-CD1 3.74Å; H117-Y124 HydrophobicContact CB-CE1 3.75Å; H117-Y124 AromaticContact CD2-CE1 3.84Å; H117-Y124 AromaticContact CG-CD1 3.94Å; H117-Y124 AromaticContact CG-CE1 3.78Å; L122-Y124 HydrophobicContact CD1-CD1 4.3Å
125C74.3Confident66.2Low31 Ų3194.3 Ų94.321%0.20945%0.449CS..EExtended strand (participates in β ladder)trans-144.1171.7176.567.30000111.2V98 V99 I100V98-C125 PolarHBondContact O-N 3.34Å; V99-C125 WeakPolarHBondContact CA-O 3.31Å; I100-C125 PolarHBondContact N-O 2.94Å
126T74.4Confident65.8Low24 Ų2494 Ų9415%0.14745%0.448CS..EExtended strand (participates in β ladder)trans-106.4158.4168.360.10000109E102 R128 Y129 A130E102-T126 HydrophobicContact CG-CG2 4.3Å; T126-R128 PolarHBondContact O-N 2.9Å; T126-Y129 PolarHBondContact O-N 2.91Å; T126-Y129 VanDerWaalsContact OG1-CD2 3.29Å; T126-Y129 WeakPolarHBondContact OG1-CD2 3.18Å; T126-A130 PolarHBondContact O-N 3.01Å; T126-A130 VanDerWaalsContact O-N 3.16Å
127C60.2Low65.4Low25 Ų2598.6 Ų98.617%0.16947%0.469CS..THydrogen-bonded Turntrans-53.9-23.9176.9-64.30000114.2F13 Y129F13-C127 VanDerWaalsContact CZ-SG 3.51Å; C127-Y129 VanDerWaalsContact C-N 3.31Å; C127-Y129 PolarHBondContact O-N 3.32Å
128R59.1Low64.7Low190 Ų190100 Ų10072%0.71748%0.477SS*.THydrogen-bonded Turntrans-62.9-33.7173.8-68.1-171.8-161.4-167.23.3113.9E102 T126E102-R128 IonicContact OE2-NE 3.76Å; T126-R128 PolarHBondContact O-N 2.9Å
129Y54.2Low64.1Low160 Ų16094.7 Ų94.763%0.62746%0.457SS*.THydrogen-bonded Turntrans-103.7-10.4-177.2-62.7-69.7000112.8T126 C127 R131 D132T126-Y129 PolarHBondContact O-N 2.91Å; T126-Y129 VanDerWaalsContact OG1-CD2 3.29Å; T126-Y129 WeakPolarHBondContact OG1-CD2 3.18Å; C127-Y129 VanDerWaalsContact C-N 3.31Å; C127-Y129 PolarHBondContact O-N 3.32Å; Y129-R131 PolarHBondContact O-N 2.67Å; Y129-R131 VanDerWaalsContact O-N 3.08Å; Y129-D132 PolarHBondContact O-N 3.16Å
130A52.6Low63.6Low37 Ų3794.2 Ų94.231%0.30646%0.455SS..THydrogen-bonded Turntrans-68.7-2.5177.100000113.6T126T126-A130 PolarHBondContact O-N 3.01Å; T126-A130 VanDerWaalsContact O-N 3.16Å
131R46.6Very low62.8Low183 Ų18396.4 Ų96.469%0.69144%0.436SS*.THydrogen-bonded Turntrans-94.5-15177.3-63.6-176-179.6-174.2-1.8113.6Y129Y129-R131 PolarHBondContact O-N 2.67Å; Y129-R131 VanDerWaalsContact O-N 3.08Å
132D39.8Very low62.3Low157 Ų15795.7 Ų95.784%0.8443%0.432SS*.  trans-98.30-175.4-61.7-39.6000111.6K28 Y129K28-D132 PolarHBondContact NZ-O 2.86Å; Y129-D132 PolarHBondContact O-N 3.16Å

Retrieved 132 of 132 residues in 53 ms (Link to these results)

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