A0A3B3VIB3_9TELE Loading...

RWD domain containing 2B

AlphaFold DB , UniProt , Accession A0A3B3VIB3, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 300 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
1M60.2Low86.1Confident124 Ų12449 Ų4961%0.61125%0.246SC*.  0135.40-82.6-179.4-91.200108.8E5 W6 P85M1-E5 VanDerWaalsContact C-OE2 3.28Å; M1-E5 WeakPolarHBondContact CA-OE2 3.36Å; M1-E5 HydrophobicContact CB-CB 4.26Å; M1-E5 HydrophobicContact CG-CB 4.25Å; M1-W6 HydrophobicContact CB-CG 4.48Å; M1-W6 HydrophobicContact CB-CZ2 4.42Å; M1-P85 HydrophobicContact CE-CG 4.34Å
2S83.1Confident86.6Confident60 Ų6049.3 Ų49.342%0.4226%0.262SS..  trans-74.4162.8169.274.40000110.2M4 E5 W6S2-M4 PolarHBondContact O-N 3.25Å; S2-M4 PolarHBondContact OG-N 2.71Å; S2-E5 PolarHBondContact N-OE2 3.06Å; S2-E5 PolarHBondContact O-N 2.97Å; S2-E5 VanDerWaalsContact O-N 3.16Å; S2-E5 PolarHBondContact OG-N 3.08Å; S2-W6 PolarHBondContact O-N 2.93Å
3Y84.4Confident87.1Confident55 Ų5546.2 Ų46.222%0.21624%0.244CC..Hα-helixtrans-57.5-32.1175.7-165.2-82.3000112.8W6 A7 Y41 P51 P52 R55 S82Y3-W6 HydrophobicContact CD2-CE3 4.11Å; Y3-W6 HydrophobicContact CD2-CZ3 4.33Å; Y3-A7 PolarHBondContact O-N 2.91Å; Y3-Y41 AromaticContact CD1-CE1 3.85Å; Y3-Y41 HydrophobicContact CD1-CE1 3.85Å; Y3-Y41 HydrophobicContact CE1-CE1 4.09Å; Y3-P51 HydrophobicContact CD1-CB 3.53Å; Y3-P51 HydrophobicContact CD2-CB 4.31Å; Y3-P51 HydrophobicContact CE1-CB 2.97Å; Y3-P51 HydrophobicContact CE1-CG 4.24Å; Y3-P51 HydrophobicContact CE2-CB 3.83Å; Y3-P51 HydrophobicContact CE2-CG 4.45Å; Y3-P51 HydrophobicContact CG-CB 4.17Å; Y3-P51 WeakPolarHBondContact OH-CB 3.14Å; Y3-P52 PolarHBondContact OH-O 2.87Å; Y3-R55 PolarHBondContact OH-NH1 3.41Å; Y3-R55 PolarHBondContact OH-NH2 3.08Å; Y3-R55 VanDerWaalsContact OH-NH2 3.07Å; Y3-S82 WeakPolarHBondContact OH-CB 3.48Å; Y3-S82 PolarHBondContact OH-OG 3.03Å
4M87.1Confident87.3Confident33 Ų3343 Ų4316%0.16323%0.228CC..Hα-helixtrans-65.1-47.9177-176.165.3-16800111.4S2 W6 A7 E8 Y41 V42 S45S2-M4 PolarHBondContact O-N 3.25Å; S2-M4 PolarHBondContact OG-N 2.71Å; M4-W6 VanDerWaalsContact C-N 3.26Å; M4-W6 PolarHBondContact O-N 3.38Å; M4-A7 WeakPolarHBondContact O-CB 3.48Å; M4-A7 PolarHBondContact O-N 2.7Å; M4-E8 HydrophobicContact CE-CG 3.9Å; M4-E8 VanDerWaalsContact CE-OE1 3.24Å; M4-E8 WeakPolarHBondContact CE-OE1 3.35Å; M4-E8 WeakPolarHBondContact O-CG 3.42Å; M4-E8 PolarHBondContact O-N 3.04Å; M4-Y41 HydrophobicContact SD-CD1 4.49Å; M4-Y41 HydrophobicContact SD-CE1 4.01Å; M4-V42 HydrophobicContact CE-CB 4.4Å; M4-V42 HydrophobicContact CE-CG1 4.23Å; M4-V42 WeakPolarHBondContact CE-O 3.36Å; M4-S45 VanDerWaalsContact CE-OG 3.27Å; M4-S45 WeakPolarHBondContact CE-OG 3.48Å
5E87.1Confident87.5Confident89 Ų8945.7 Ų45.742%0.41624%0.239SC..Hα-helixtrans-62.6-34.7179.2-67.5169.5144.700111.7M1 S2 S9M1-E5 VanDerWaalsContact C-OE2 3.28Å; M1-E5 WeakPolarHBondContact CA-OE2 3.36Å; M1-E5 HydrophobicContact CB-CB 4.26Å; M1-E5 HydrophobicContact CG-CB 4.25Å; S2-E5 PolarHBondContact N-OE2 3.06Å; S2-E5 PolarHBondContact O-N 2.97Å; S2-E5 VanDerWaalsContact O-N 3.16Å; S2-E5 PolarHBondContact OG-N 3.08Å; E5-S9 WeakPolarHBondContact O-CB 3.42Å; E5-S9 PolarHBondContact O-N 2.98Å; E5-S9 PolarHBondContact O-OG 2.88Å
6W90.3Very high87.6Confident44 Ų4448.7 Ų48.717%0.16725%0.254CS..Hα-helixtrans-64.7-46.4171.3-65.6-27.2000111.9M1 S2 Y3 M4 E8 S9 Q10 E83 S86M1-W6 HydrophobicContact CB-CG 4.48Å; M1-W6 HydrophobicContact CB-CZ2 4.42Å; S2-W6 PolarHBondContact O-N 2.93Å; Y3-W6 HydrophobicContact CD2-CE3 4.11Å; Y3-W6 HydrophobicContact CD2-CZ3 4.33Å; M4-W6 VanDerWaalsContact C-N 3.26Å; M4-W6 PolarHBondContact O-N 3.38Å; W6-E8 PolarHBondContact O-N 3.35Å; W6-S9 PolarHBondContact O-N 2.93Å; W6-Q10 WeakPolarHBondContact O-CB 3.49Å; W6-Q10 WeakPolarHBondContact O-CG 3.37Å; W6-Q10 PolarHBondContact O-N 2.71Å; W6-E83 HydrophobicContact CE3-CB 4.29Å; W6-E83 HydrophobicContact CH2-CB 4.27Å; W6-E83 HydrophobicContact CH2-CG 4.29Å; W6-E83 HydrophobicContact CZ3-CB 4.04Å; W6-E83 HydrophobicContact CZ3-CG 3.92Å; W6-S86 VanDerWaalsContact CZ2-OG 3.31Å; W6-S86 WeakPolarHBondContact CZ2-OG 3.48Å
7A90.4Very high87.7Confident0 Ų045.9 Ų45.90%024%0.24CC..Hα-helixtrans-62.1-41.5178.600000112.4Y3 M4 Q10 L11 L38 Y41 V42Y3-A7 PolarHBondContact O-N 2.91Å; M4-A7 WeakPolarHBondContact O-CB 3.48Å; M4-A7 PolarHBondContact O-N 2.7Å; A7-Q10 PolarHBondContact O-N 3.32Å; A7-L11 WeakPolarHBondContact O-CB 3.41Å; A7-L11 PolarHBondContact O-N 2.61Å; A7-L38 HydrophobicContact CB-CD1 3.67Å; A7-Y41 HydrophobicContact CB-CD1 3.8Å; A7-Y41 HydrophobicContact CB-CE1 3.85Å; A7-V42 HydrophobicContact CB-CG2 3.84Å
8E90.6Very high87.7Confident89 Ų8946.9 Ų46.942%0.41625%0.249SC..Hα-helixtrans-60.8-46.9174.1-73.4173.1165.400111.5M4 W6 Q10 L11 A12 V42M4-E8 HydrophobicContact CE-CG 3.9Å; M4-E8 VanDerWaalsContact CE-OE1 3.24Å; M4-E8 WeakPolarHBondContact CE-OE1 3.35Å; M4-E8 WeakPolarHBondContact O-CG 3.42Å; M4-E8 PolarHBondContact O-N 3.04Å; W6-E8 PolarHBondContact O-N 3.35Å; E8-Q10 PolarHBondContact O-N 2.91Å; E8-L11 PolarHBondContact O-N 3.49Å; E8-A12 WeakPolarHBondContact O-CB 3.44Å; E8-A12 PolarHBondContact O-N 2.73Å; E8-V42 HydrophobicContact CG-CG1 3.8Å; E8-V42 HydrophobicContact CG-CG2 4.3Å
9S90.3Very high87.7Confident34 Ų3449.5 Ų49.524%0.23827%0.27CS..Hα-helixtrans-63.6-41.7179.2-56.90000111.7E5 W6 A12 E13E5-S9 WeakPolarHBondContact O-CB 3.42Å; E5-S9 PolarHBondContact O-N 2.98Å; E5-S9 PolarHBondContact O-OG 2.88Å; W6-S9 PolarHBondContact O-N 2.93Å; S9-A12 PolarHBondContact O-N 2.77Å; S9-E13 PolarHBondContact O-N 2.86Å
10Q92.1Very high87.7Confident0 Ų051.3 Ų51.30%028%0.278CS..Hα-helixtrans-61.9-46.9176.2-75.2179.620.400112.2W6 A7 E8 E13 V14 L38 Y80 P81 S82 Y84W6-Q10 WeakPolarHBondContact O-CB 3.49Å; W6-Q10 WeakPolarHBondContact O-CG 3.37Å; W6-Q10 PolarHBondContact O-N 2.71Å; A7-Q10 PolarHBondContact O-N 3.32Å; E8-Q10 PolarHBondContact O-N 2.91Å; Q10-E13 PolarHBondContact O-N 3.41Å; Q10-V14 WeakPolarHBondContact O-CG2 3.44Å; Q10-V14 PolarHBondContact O-N 2.8Å; Q10-V14 VanDerWaalsContact O-N 3.11Å; Q10-L38 HydrophobicContact CB-CD2 3.96Å; Q10-Y80 HydrophobicContact CB-CD2 3.89Å; Q10-Y80 HydrophobicContact CB-CE2 4.09Å; Q10-Y80 HydrophobicContact CG-CD2 3.78Å; Q10-Y80 HydrophobicContact CG-CE2 4.24Å; Q10-P81 PolarHBondContact NE2-O 2.83Å; Q10-S82 PolarHBondContact NE2-O 3.47Å; Q10-Y84 HydrophobicContact CG-CD1 3.81Å; Q10-Y84 HydrophobicContact CG-CE1 4.48Å; Q10-Y84 PolarHBondContact NE2-O 2.97Å
11L92.1Very high87.7Confident11 Ų1149.5 Ų49.56%0.05827%0.268CS..Hα-helixtrans-63-47.2178.6-179.663.3000110.7A7 E8 E13 V14 E15 L35 L38 R39 V42A7-L11 WeakPolarHBondContact O-CB 3.41Å; A7-L11 PolarHBondContact O-N 2.61Å; E8-L11 PolarHBondContact O-N 3.49Å; L11-E13 VanDerWaalsContact C-N 3.31Å; L11-E13 PolarHBondContact O-N 2.8Å; L11-V14 PolarHBondContact O-N 3.46Å; L11-E15 HydrophobicContact CD1-CG 4.32Å; L11-E15 WeakPolarHBondContact O-CG 3.21Å; L11-E15 PolarHBondContact O-N 3.12Å; L11-L35 HydrophobicContact CD1-CD1 3.86Å; L11-L38 HydrophobicContact CB-CD2 4.29Å; L11-L38 HydrophobicContact CB-CG 4.48Å; L11-R39 HydrophobicContact CD1-CB 4.09Å; L11-R39 HydrophobicContact CD2-CB 4.35Å; L11-R39 HydrophobicContact CD2-CG 4.33Å; L11-V42 HydrophobicContact CB-CG2 4.47Å; L11-V42 HydrophobicContact CD2-CB 3.9Å; L11-V42 HydrophobicContact CD2-CG1 3.91Å; L11-V42 HydrophobicContact CD2-CG2 4.1Å
12A91.6Very high88.7Confident53 Ų5348.8 Ų48.844%0.43827%0.272SS..Hα-helixtrans-59.1-41.2178.800000112.3E8 S9 L16E8-A12 WeakPolarHBondContact O-CB 3.44Å; E8-A12 PolarHBondContact O-N 2.73Å; S9-A12 PolarHBondContact O-N 2.77Å; A12-L16 WeakPolarHBondContact O-CB 3.42Å; A12-L16 PolarHBondContact O-N 3.02Å
13E92.6Very high88.6Confident8 Ų847.2 Ų47.24%0.03727%0.265CS..Hα-helixtrans-66.5-43.2177-164.7180-153.300112.2S9 Q10 L11 E15 L16 L17 Y80 Y84 L122 C123 V124S9-E13 PolarHBondContact O-N 2.86Å; Q10-E13 PolarHBondContact O-N 3.41Å; L11-E13 VanDerWaalsContact C-N 3.31Å; L11-E13 PolarHBondContact O-N 2.8Å; E13-E15 VanDerWaalsContact C-N 3.34Å; E13-E15 PolarHBondContact O-N 3.42Å; E13-L16 PolarHBondContact O-N 3.18Å; E13-L17 HydrophobicContact CG-CD1 4.05Å; E13-L17 HydrophobicContact CG-CG 4.33Å; E13-L17 WeakPolarHBondContact O-CB 3.26Å; E13-L17 WeakPolarHBondContact O-CG 3.32Å; E13-L17 PolarHBondContact O-N 2.89Å; E13-Y80 PolarHBondContact OE2-OH 2.67Å; E13-Y84 PolarHBondContact OE1-OH 3.15Å; E13-Y84 WeakPolarHBondContact OE2-CE1 3.46Å; E13-Y84 PolarHBondContact OE2-OH 2.93Å; E13-L122 HydrophobicContact CB-CD1 4Å; E13-L122 HydrophobicContact CB-CD2 3.99Å; E13-L122 HydrophobicContact CB-CG 4.43Å; E13-L122 HydrophobicContact CG-CB 4.32Å; E13-L122 HydrophobicContact CG-CD1 4.42Å; E13-L122 HydrophobicContact CG-CD2 4.4Å; E13-C123 PolarHBondContact OE1-N 2.89Å; E13-V124 WeakPolarHBondContact OE1-CB 3.31Å; E13-V124 WeakPolarHBondContact OE1-CG2 3.47Å; E13-V124 PolarHBondContact OE1-N 3Å
14V91.1Very high87.8Confident2 Ų254 Ų541%0.01230%0.299CS..Hα-helixtrans-63.6-41178.5172.70000111.2Q10 L11 L17 T18 L29 L35 P56 F58 Y80Q10-V14 WeakPolarHBondContact O-CG2 3.44Å; Q10-V14 PolarHBondContact O-N 2.8Å; Q10-V14 VanDerWaalsContact O-N 3.11Å; L11-V14 PolarHBondContact O-N 3.46Å; V14-L17 PolarHBondContact O-N 3.19Å; V14-T18 WeakPolarHBondContact O-CB 3.3Å; V14-T18 PolarHBondContact O-N 2.58Å; V14-T18 PolarHBondContact O-OG1 3.18Å; V14-L29 HydrophobicContact CG1-CD2 3.94Å; V14-L35 HydrophobicContact CB-CD1 4.41Å; V14-L35 HydrophobicContact CG1-CD1 3.92Å; V14-L35 HydrophobicContact CG1-CD2 4.11Å; V14-P56 HydrophobicContact CG2-CB 4.45Å; V14-F58 HydrophobicContact CG2-CE1 4.04Å; V14-Y80 HydrophobicContact CG2-CD2 4.45Å; V14-Y80 HydrophobicContact CG2-CE2 3.57Å
15E89.7Confident87.4Confident83 Ų8357.5 Ų57.539%0.38832%0.319SS..Hα-helixtrans-65.8-41.9177.1-70.8-178162.800111.8L11 E13 T18 S19 R39L11-E15 HydrophobicContact CD1-CG 4.32Å; L11-E15 WeakPolarHBondContact O-CG 3.21Å; L11-E15 PolarHBondContact O-N 3.12Å; E13-E15 VanDerWaalsContact C-N 3.34Å; E13-E15 PolarHBondContact O-N 3.42Å; E15-T18 PolarHBondContact O-N 2.73Å; E15-S19 PolarHBondContact O-N 3.14Å; E15-R39 IonicContact OE1-CZ 3.47Å; E15-R39 IonicContact OE1-NE 3.49Å; E15-R39 PolarHBondContact OE1-NE 2.89Å; E15-R39 IonicContact OE1-NH2 2.71Å; E15-R39 PolarHBondContact OE1-NH2 3.44Å
16L88.7Confident87.3Confident94 Ų9456.9 Ų56.949%0.49232%0.316SS..Hα-helixtrans-59.7-50.4172.8175.663.7000111.2A12 E13 T18 S19 M20A12-L16 WeakPolarHBondContact O-CB 3.42Å; A12-L16 PolarHBondContact O-N 3.02Å; E13-L16 PolarHBondContact O-N 3.18Å; L16-T18 VanDerWaalsContact C-N 3.31Å; L16-T18 PolarHBondContact O-N 2.83Å; L16-S19 CarbonylContact O-C 3.51Å; L16-S19 WeakPolarHBondContact O-CB 3.29Å; L16-S19 PolarHBondContact O-N 3.16Å; L16-M20 HydrophobicContact CD1-CG 4.1Å; L16-M20 HydrophobicContact CD1-SD 4.07Å; L16-M20 HydrophobicContact CD2-SD 4.47Å; L16-M20 HydrophobicContact CG-CG 4.35Å; L16-M20 HydrophobicContact CG-SD 3.99Å; L16-M20 WeakPolarHBondContact O-CG 3.41Å; L16-M20 PolarHBondContact O-N 2.78Å
17L89Confident87.3Confident1 Ų156 Ų561%0.00531%0.314CS..Hα-helixtrans-59.7-42.9179-69.4167.8000111E13 V14 S19 M20 F21 L27 F58 I60 V124 L125E13-L17 HydrophobicContact CG-CD1 4.05Å; E13-L17 HydrophobicContact CG-CG 4.33Å; E13-L17 WeakPolarHBondContact O-CB 3.26Å; E13-L17 WeakPolarHBondContact O-CG 3.32Å; E13-L17 PolarHBondContact O-N 2.89Å; V14-L17 PolarHBondContact O-N 3.19Å; L17-S19 PolarHBondContact O-N 3.43Å; L17-M20 PolarHBondContact O-N 3.29Å; L17-M20 VanDerWaalsContact O-N 3.07Å; L17-F21 HydrophobicContact CB-CD2 4.47Å; L17-F21 HydrophobicContact CD2-CD2 4.36Å; L17-F21 HydrophobicContact CD2-CE2 3.83Å; L17-F21 VanDerWaalsContact O-CD2 3.24Å; L17-F21 WeakPolarHBondContact O-CD2 3.33Å; L17-F21 PolarHBondContact O-N 3.33Å; L17-L27 HydrophobicContact CB-CD1 3.64Å; L17-F58 HydrophobicContact CD1-CE2 3.85Å; L17-F58 HydrophobicContact CD1-CZ 3.72Å; L17-I60 HydrophobicContact CD2-CD1 4.13Å; L17-V124 HydrophobicContact CD1-CB 3.92Å; L17-V124 HydrophobicContact CD1-CG1 3.66Å; L17-V124 HydrophobicContact CD1-CG2 4.46Å; L17-V124 HydrophobicContact CD2-CB 4.5Å; L17-V124 HydrophobicContact CD2-CG1 4.16Å; L17-L125 HydrophobicContact CD2-CB 4.46Å
18T88.6Confident87.2Confident65 Ų6560.4 Ų60.440%0.39934%0.335SS..Hα-helixtrans-60.6-35.4176.6-55.50000111.5V14 E15 L16V14-T18 WeakPolarHBondContact O-CB 3.3Å; V14-T18 PolarHBondContact O-N 2.58Å; V14-T18 PolarHBondContact O-OG1 3.18Å; E15-T18 PolarHBondContact O-N 2.73Å; L16-T18 VanDerWaalsContact C-N 3.31Å; L16-T18 PolarHBondContact O-N 2.83Å
19S88.1Confident86.9Confident95 Ų9557.9 Ų57.966%0.66432%0.324SS*.Hα-helixtrans-75-31.8174.4-173.20000113.3E15 L16 L17E15-S19 PolarHBondContact O-N 3.14Å; L16-S19 CarbonylContact O-C 3.51Å; L16-S19 WeakPolarHBondContact O-CB 3.29Å; L16-S19 PolarHBondContact O-N 3.16Å; L17-S19 PolarHBondContact O-N 3.43Å
20M87.4Confident86.5Confident86 Ų8660.1 Ų60.142%0.42434%0.336SS..Hα-helixtrans-78.1-26.4-178.9-73-172.669.700113.2L16 L17 P22 L125L16-M20 HydrophobicContact CD1-CG 4.1Å; L16-M20 HydrophobicContact CD1-SD 4.07Å; L16-M20 HydrophobicContact CD2-SD 4.47Å; L16-M20 HydrophobicContact CG-CG 4.35Å; L16-M20 HydrophobicContact CG-SD 3.99Å; L16-M20 WeakPolarHBondContact O-CG 3.41Å; L16-M20 PolarHBondContact O-N 2.78Å; L17-M20 PolarHBondContact O-N 3.29Å; L17-M20 VanDerWaalsContact O-N 3.07Å; M20-P22 VanDerWaalsContact O-CD 3.22Å; M20-P22 WeakPolarHBondContact O-CD 3.29Å; M20-L125 HydrophobicContact CE-CD1 3.49Å; M20-L125 VanDerWaalsContact CE-CD1 3.49Å; M20-L125 HydrophobicContact CE-CD2 3.64Å; M20-L125 HydrophobicContact CE-CG 4.22Å; M20-L125 HydrophobicContact SD-CD1 4.03Å; M20-L125 HydrophobicContact SD-CD2 3.78Å; M20-L125 HydrophobicContact SD-CG 4.5Å
21F87.4Confident85.9Confident14 Ų1462.7 Ų62.76%0.06135%0.35CS..  trans-117.769.1-179.2-62-75.1000110.8L17 G23 E26 L27 I60 L125 V128L17-F21 HydrophobicContact CB-CD2 4.47Å; L17-F21 HydrophobicContact CD2-CD2 4.36Å; L17-F21 HydrophobicContact CD2-CE2 3.83Å; L17-F21 VanDerWaalsContact O-CD2 3.24Å; L17-F21 WeakPolarHBondContact O-CD2 3.33Å; L17-F21 PolarHBondContact O-N 3.33Å; F21-G23 VanDerWaalsContact C-N 3.26Å; F21-G23 PolarHBondContact O-N 2.94Å; F21-E26 WeakPolarHBondContact CA-OE2 3.49Å; F21-E26 HydrophobicContact CB-CB 3.98Å; F21-L27 HydrophobicContact CB-CB 3.81Å; F21-L27 HydrophobicContact CB-CD1 4.45Å; F21-L27 HydrophobicContact CD2-CD1 4.19Å; F21-I60 HydrophobicContact CD1-CG2 4Å; F21-I60 HydrophobicContact CD2-CD1 4.26Å; F21-I60 HydrophobicContact CD2-CG2 4.31Å; F21-I60 HydrophobicContact CE1-CG2 3.83Å; F21-I60 HydrophobicContact CE2-CD1 3.94Å; F21-I60 HydrophobicContact CE2-CG2 4.19Å; F21-I60 HydrophobicContact CG-CG2 4.25Å; F21-I60 HydrophobicContact CZ-CD1 4.5Å; F21-I60 HydrophobicContact CZ-CG2 3.96Å; F21-L125 HydrophobicContact CZ-CD1 4.43Å; F21-V128 HydrophobicContact CZ-CG1 4.1Å
22P81.5Confident85.5Confident108 Ų10869.4 Ų69.470%0.70138%0.381SS*.  trans-76.2-7.6-173.733.1-37.7000114.1M20M20-P22 VanDerWaalsContact O-CD 3.22Å; M20-P22 WeakPolarHBondContact O-CD 3.29Å
23G81.3Confident85.3Confident27 Ų2772.3 Ų72.328%0.27839%0.389SS..SBendtrans-65.7142.1179.500000112.5F21 D25 E26F21-G23 VanDerWaalsContact C-N 3.26Å; F21-G23 PolarHBondContact O-N 2.94Å; G23-D25 PolarHBondContact O-N 3.06Å; G23-E26 PolarHBondContact N-OE2 3.36Å; G23-E26 PolarHBondContact O-N 2.75Å
24Q67.4Low85.1Confident197 Ų19771.9 Ų71.992%0.92139%0.387SS*.THydrogen-bonded Turntrans-58.9-18.7-173.8-73.1-158.8-26.300115
25D77.8Confident85Confident108 Ų10873 Ų7358%0.57839%0.392SS*.THydrogen-bonded Turntrans-1245.5179-71.2-60.3000113.4G23 K61G23-D25 PolarHBondContact O-N 3.06Å; D25-K61 WeakPolarHBondContact O-CD 3.07Å; D25-K61 WeakPolarHBondContact O-CG 3.38Å; D25-K61 PolarHBondContact O-NZ 3.34Å
26E86.1Confident85Confident75 Ų7571.7 Ų71.735%0.3540%0.396SS..THydrogen-bonded Turntrans-80.2-40.1-174.3-71.2-178.3168.500112.4F21 G23 I60 K61F21-E26 WeakPolarHBondContact CA-OE2 3.49Å; F21-E26 HydrophobicContact CB-CB 3.98Å; G23-E26 PolarHBondContact N-OE2 3.36Å; G23-E26 PolarHBondContact O-N 2.75Å; E26-I60 CarbonylContact O-C 3.38Å; E26-I60 WeakPolarHBondContact O-CA 3.43Å; E26-K61 PolarHBondContact O-N 3.16Å
27L89.3Confident85Confident26 Ų2670.7 Ų70.714%0.13639%0.389CS..EExtended strand (participates in β ladder)trans-133.3123.9174.2-176.2153.5000109.9L17 F21 L29 F59 I60L17-L27 HydrophobicContact CB-CD1 3.64Å; F21-L27 HydrophobicContact CB-CB 3.81Å; F21-L27 HydrophobicContact CB-CD1 4.45Å; F21-L27 HydrophobicContact CD2-CD1 4.19Å; L27-L29 HydrophobicContact CD2-CG 4.16Å; L27-F59 WeakPolarHBondContact CA-O 3.37Å; L27-I60 HydrophobicContact CD1-CD1 4.36Å; L27-I60 HydrophobicContact CD1-CG1 4.06Å; L27-I60 HydrophobicContact CG-CG1 4.32Å
28E88Confident85.1Confident93 Ų9370.6 Ų70.644%0.43539%0.388SS..EExtended strand (participates in β ladder)trans-126.8124.5176.6-167.3-176.3121.500110.4T30 F58 F59E28-T30 PolarHBondContact O-N 2.9Å; E28-F58 CarbonylContact O-C 3.58Å; E28-F58 WeakPolarHBondContact O-CA 3.37Å; E28-F58 VanDerWaalsContact O-CB 3.28Å; E28-F58 WeakPolarHBondContact O-CB 3.23Å; E28-F59 HydrophobicContact CB-CD1 4.18Å; E28-F59 HydrophobicContact CB-CD2 4.19Å; E28-F59 HydrophobicContact CB-CE1 3.56Å; E28-F59 HydrophobicContact CB-CE2 3.52Å; E28-F59 HydrophobicContact CB-CZ 3.23Å; E28-F59 HydrophobicContact CG-CE1 3.99Å; E28-F59 HydrophobicContact CG-CZ 3.84Å; E28-F59 PolarHBondContact N-O 2.8Å; E28-F59 PolarHBondContact O-N 2.88Å; E28-F59 VanDerWaalsContact OE2-CZ 3.23Å; E28-F59 WeakPolarHBondContact OE2-CZ 3.09Å
29L85.4Confident85.2Confident35 Ų3572.4 Ų72.418%0.18339%0.388CS..EExtended strand (participates in β ladder)trans-81.5112173.2-68159.5000108.8V14 L27 D31 Q32 L35 F58V14-L29 HydrophobicContact CG1-CD2 3.94Å; L27-L29 HydrophobicContact CD2-CG 4.16Å; L29-D31 VanDerWaalsContact C-N 3.32Å; L29-Q32 HydrophobicContact CB-CG 4.46Å; L29-L35 HydrophobicContact CD1-CD2 3.44Å; L29-L35 VanDerWaalsContact CD1-CD2 3.44Å; L29-L35 HydrophobicContact CD2-CD2 4.35Å; L29-F58 HydrophobicContact CD2-CB 3.72Å; L29-F58 HydrophobicContact CD2-CD1 4.17Å; L29-F58 HydrophobicContact CD2-CG 4.23Å; L29-F58 HydrophobicContact CG-CB 4.4Å
30T80.6Confident85.3Confident81 Ų8170.2 Ų70.250%0.49737%0.372SS..SBendtrans-71.9-30-179.2-48.70000111.6E28 Q57E28-T30 PolarHBondContact O-N 2.9Å; T30-Q57 PolarHBondContact N-O 2.86Å
31D80.6Confident85.4Confident55 Ų5567.6 Ų67.629%0.29436%0.358SS..  trans-124.887178.2-167.8-12.9000111.1L29 L33 A34 L35 Q57L29-D31 VanDerWaalsContact C-N 3.32Å; D31-L33 PolarHBondContact O-N 3.08Å; D31-L33 WeakPolarHBondContact OD1-CB 3.46Å; D31-L33 PolarHBondContact OD1-N 2.78Å; D31-L33 VanDerWaalsContact OD1-N 3.13Å; D31-A34 HydrophobicContact CB-CB 4.06Å; D31-A34 VanDerWaalsContact CG-CB 3.46Å; D31-A34 PolarHBondContact O-N 2.94Å; D31-A34 PolarHBondContact OD1-N 3.45Å; D31-A34 WeakPolarHBondContact OD2-CB 3.36Å; D31-L35 PolarHBondContact O-N 3.04Å; D31-Q57 PolarHBondContact N-O 2.91Å
32Q84.3Confident85.5Confident151 Ų15168 Ų6871%0.70636%0.361SS*.Hα-helixtrans-67.1-25.4177-65-17818.500112.6L29 A36L29-Q32 HydrophobicContact CB-CG 4.46Å; Q32-A36 PolarHBondContact O-N 2.91Å; Q32-A36 VanDerWaalsContact O-N 3.11Å
33L87.6Confident85.8Confident114 Ų11469.1 Ų69.160%0.59736%0.357SS*.Hα-helixtrans-70.4-46.1178.5-179.563.3000110D31 L35 A36 E37D31-L33 PolarHBondContact O-N 3.08Å; D31-L33 WeakPolarHBondContact OD1-CB 3.46Å; D31-L33 PolarHBondContact OD1-N 2.78Å; D31-L33 VanDerWaalsContact OD1-N 3.13Å; L33-L35 VanDerWaalsContact C-N 3.27Å; L33-L35 PolarHBondContact O-N 2.88Å; L33-A36 PolarHBondContact O-N 3.48Å; L33-A36 VanDerWaalsContact O-N 3.09Å; L33-E37 HydrophobicContact CD1-CG 4.41Å; L33-E37 HydrophobicContact CG-CG 4.45Å; L33-E37 WeakPolarHBondContact O-CG 3.35Å; L33-E37 PolarHBondContact O-N 2.81Å
34A87.4Confident85.8Confident0 Ų071.6 Ų71.60%036%0.364CS..Hα-helixtrans-60.3-34.9177.500000112.9D31 L38D31-A34 HydrophobicContact CB-CB 4.06Å; D31-A34 VanDerWaalsContact CG-CB 3.46Å; D31-A34 PolarHBondContact O-N 2.94Å; D31-A34 PolarHBondContact OD1-N 3.45Å; D31-A34 WeakPolarHBondContact OD2-CB 3.36Å; A34-L38 VanDerWaalsContact O-CB 3.31Å; A34-L38 WeakPolarHBondContact O-CB 3.5Å; A34-L38 PolarHBondContact O-N 2.66Å
35L89Confident85.5Confident24 Ų2465.4 Ų65.413%0.12634%0.343CS..Hα-helixtrans-69-42.4173.4-178.962.5000112.1L11 V14 L29 D31 L33 E37 L38 R39 P56L11-L35 HydrophobicContact CD1-CD1 3.86Å; V14-L35 HydrophobicContact CB-CD1 4.41Å; V14-L35 HydrophobicContact CG1-CD1 3.92Å; V14-L35 HydrophobicContact CG1-CD2 4.11Å; L29-L35 HydrophobicContact CD1-CD2 3.44Å; L29-L35 VanDerWaalsContact CD1-CD2 3.44Å; L29-L35 HydrophobicContact CD2-CD2 4.35Å; D31-L35 PolarHBondContact O-N 3.04Å; L33-L35 VanDerWaalsContact C-N 3.27Å; L33-L35 PolarHBondContact O-N 2.88Å; L35-E37 VanDerWaalsContact C-N 3.34Å; L35-L38 PolarHBondContact O-N 3.29Å; L35-R39 WeakPolarHBondContact O-CB 3.23Å; L35-R39 PolarHBondContact O-N 3.29Å; L35-P56 HydrophobicContact CB-CG 4.31Å; L35-P56 HydrophobicContact CD1-CG 4.08Å
36A89.3Confident84.5Confident57 Ų5765.5 Ų65.547%0.47136%0.359SS..Hα-helixtrans-63.8-40.6177.400000111.7Q32 L33 R39 S40Q32-A36 PolarHBondContact O-N 2.91Å; Q32-A36 VanDerWaalsContact O-N 3.11Å; L33-A36 PolarHBondContact O-N 3.48Å; L33-A36 VanDerWaalsContact O-N 3.09Å; A36-R39 PolarHBondContact O-N 3.5Å; A36-S40 VanDerWaalsContact O-CB 3.31Å; A36-S40 WeakPolarHBondContact O-CB 3.35Å; A36-S40 PolarHBondContact O-N 3.27Å
37E90.2Very high83.1Confident72 Ų7265.1 Ų65.134%0.33637%0.365SS..Hα-helixtrans-64.1-43.6173.9-71.1-178.5160.800111.8L33 L35 S40 Y41 P52L33-E37 HydrophobicContact CD1-CG 4.41Å; L33-E37 HydrophobicContact CG-CG 4.45Å; L33-E37 WeakPolarHBondContact O-CG 3.35Å; L33-E37 PolarHBondContact O-N 2.81Å; L35-E37 VanDerWaalsContact C-N 3.34Å; E37-S40 PolarHBondContact O-N 3.09Å; E37-Y41 WeakPolarHBondContact O-CB 3.33Å; E37-Y41 PolarHBondContact O-N 3.31Å; E37-P52 HydrophobicContact CB-CB 4.17Å
38L90.1Very high81.7Confident0 Ų067.5 Ų67.50%040%0.395CS..Hα-helixtrans-61.3-46.1175.5-178.366.1000111.5A7 Q10 L11 A34 L35 Y41 V42 P56A7-L38 HydrophobicContact CB-CD1 3.67Å; Q10-L38 HydrophobicContact CB-CD2 3.96Å; L11-L38 HydrophobicContact CB-CD2 4.29Å; L11-L38 HydrophobicContact CB-CG 4.48Å; A34-L38 VanDerWaalsContact O-CB 3.31Å; A34-L38 WeakPolarHBondContact O-CB 3.5Å; A34-L38 PolarHBondContact O-N 2.66Å; L35-L38 PolarHBondContact O-N 3.29Å; L38-Y41 PolarHBondContact O-N 2.95Å; L38-V42 WeakPolarHBondContact O-CG2 3.39Å; L38-V42 PolarHBondContact O-N 2.65Å; L38-P56 HydrophobicContact CD2-CG 3.74Å
39R90.9Very high80.7Confident102 Ų10267.6 Ų67.639%0.38540%0.396SS..Hα-helixtrans-61.9-47.7177.2-179.1177.9-76.4-178.9-4.2111.4L11 E15 L35 A36 Y41 V42 E43L11-R39 HydrophobicContact CD1-CB 4.09Å; L11-R39 HydrophobicContact CD2-CB 4.35Å; L11-R39 HydrophobicContact CD2-CG 4.33Å; E15-R39 IonicContact OE1-CZ 3.47Å; E15-R39 IonicContact OE1-NE 3.49Å; E15-R39 PolarHBondContact OE1-NE 2.89Å; E15-R39 IonicContact OE1-NH2 2.71Å; E15-R39 PolarHBondContact OE1-NH2 3.44Å; L35-R39 WeakPolarHBondContact O-CB 3.23Å; L35-R39 PolarHBondContact O-N 3.29Å; A36-R39 PolarHBondContact O-N 3.5Å; R39-Y41 VanDerWaalsContact C-N 3.29Å; R39-Y41 PolarHBondContact O-N 3.36Å; R39-V42 PolarHBondContact O-N 2.81Å; R39-E43 WeakPolarHBondContact CD-OE1 3.46Å; R39-E43 HydrophobicContact CG-CG 4.23Å; R39-E43 WeakPolarHBondContact CG-OE1 3.45Å; R39-E43 WeakPolarHBondContact O-CB 3.23Å; R39-E43 WeakPolarHBondContact O-CG 3.16Å; R39-E43 PolarHBondContact O-N 2.84Å
40S89.9Confident80.2Confident49 Ų4974.8 Ų74.834%0.34343%0.425SS..Hα-helixtrans-58.2-42.2176.6-179.70000111.9A36 E37 E43 N44A36-S40 VanDerWaalsContact O-CB 3.31Å; A36-S40 WeakPolarHBondContact O-CB 3.35Å; A36-S40 PolarHBondContact O-N 3.27Å; E37-S40 PolarHBondContact O-N 3.09Å; S40-E43 PolarHBondContact O-N 3.42Å; S40-N44 VanDerWaalsContact O-CB 3.22Å; S40-N44 WeakPolarHBondContact O-CB 3.32Å; S40-N44 PolarHBondContact O-N 2.84Å; S40-N44 PolarHBondContact O-ND2 2.8Å; S40-N44 PolarHBondContact OG-ND2 2.75Å; S40-N44 VanDerWaalsContact OG-ND2 3.07Å
41Y89.4Confident80.1Confident31 Ų3173.8 Ų73.812%0.12242%0.421CS..Hα-helixtrans-64.1-41.1177.7177.6-107.7000112.4Y3 M4 A7 E37 L38 R39 E49 P52Y3-Y41 AromaticContact CD1-CE1 3.85Å; Y3-Y41 HydrophobicContact CD1-CE1 3.85Å; Y3-Y41 HydrophobicContact CE1-CE1 4.09Å; M4-Y41 HydrophobicContact SD-CD1 4.49Å; M4-Y41 HydrophobicContact SD-CE1 4.01Å; A7-Y41 HydrophobicContact CB-CD1 3.8Å; A7-Y41 HydrophobicContact CB-CE1 3.85Å; E37-Y41 WeakPolarHBondContact O-CB 3.33Å; E37-Y41 PolarHBondContact O-N 3.31Å; L38-Y41 PolarHBondContact O-N 2.95Å; R39-Y41 VanDerWaalsContact C-N 3.29Å; R39-Y41 PolarHBondContact O-N 3.36Å; Y41-E49 HydrophobicContact CD2-CB 4.36Å; Y41-E49 WeakPolarHBondContact CE2-O 3.29Å; Y41-P52 HydrophobicContact CD1-CG 4.4Å; Y41-P52 HydrophobicContact CG-CG 4.13Å
42V89.4Confident80.1Confident22 Ų2271.7 Ų71.713%0.13341%0.41CS..Hα-helixtrans-68-43.3177.4171.60000111.2M4 A7 E8 L11 L38 R39 S45M4-V42 HydrophobicContact CE-CB 4.4Å; M4-V42 HydrophobicContact CE-CG1 4.23Å; M4-V42 WeakPolarHBondContact CE-O 3.36Å; A7-V42 HydrophobicContact CB-CG2 3.84Å; E8-V42 HydrophobicContact CG-CG1 3.8Å; E8-V42 HydrophobicContact CG-CG2 4.3Å; L11-V42 HydrophobicContact CB-CG2 4.47Å; L11-V42 HydrophobicContact CD2-CB 3.9Å; L11-V42 HydrophobicContact CD2-CG1 3.91Å; L11-V42 HydrophobicContact CD2-CG2 4.1Å; L38-V42 WeakPolarHBondContact O-CG2 3.39Å; L38-V42 PolarHBondContact O-N 2.65Å; R39-V42 PolarHBondContact O-N 2.81Å; V42-S45 PolarHBondContact O-OG 2.6Å
43E87.3Confident79.8Confident132 Ų13270 Ų7062%0.61741%0.412SS*.Hα-helixtrans-74.9-32.5-177.2-69.7174.5179.100113.6R39 S40R39-E43 WeakPolarHBondContact CD-OE1 3.46Å; R39-E43 HydrophobicContact CG-CG 4.23Å; R39-E43 WeakPolarHBondContact CG-OE1 3.45Å; R39-E43 WeakPolarHBondContact O-CB 3.23Å; R39-E43 WeakPolarHBondContact O-CG 3.16Å; R39-E43 PolarHBondContact O-N 2.84Å; S40-E43 PolarHBondContact O-N 3.42Å
44N81.3Confident79.6Confident79 Ų7967.2 Ų67.242%0.42240%0.402SS..THydrogen-bonded Turntrans-97.822.5-176-64-56.3000113.9S40 A46 S47S40-N44 VanDerWaalsContact O-CB 3.22Å; S40-N44 WeakPolarHBondContact O-CB 3.32Å; S40-N44 PolarHBondContact O-N 2.84Å; S40-N44 PolarHBondContact O-ND2 2.8Å; S40-N44 PolarHBondContact OG-ND2 2.75Å; S40-N44 VanDerWaalsContact OG-ND2 3.07Å; N44-A46 PolarHBondContact O-N 3.07Å; N44-S47 PolarHBondContact O-N 3.34Å; N44-S47 VanDerWaalsContact O-N 3.12Å; N44-S47 PolarHBondContact O-OG 3.33Å; N44-S47 VanDerWaalsContact O-OG 3.12Å
45S62.5Low79.5Confident68 Ų6868.1 Ų68.148%0.47641%0.405SS..THydrogen-bonded Turntrans-600.1-169.928.30000116.8M4 V42M4-S45 VanDerWaalsContact CE-OG 3.27Å; M4-S45 WeakPolarHBondContact CE-OG 3.48Å; V42-S45 PolarHBondContact O-OG 2.6Å
46A57Low79.4Confident110 Ų11067 Ų6791%0.90940%0.399SS*.THydrogen-bonded Turntrans-80.5-13.6171.200000114.7N44N44-A46 PolarHBondContact O-N 3.07Å
47S56.2Low79.5Confident67 Ų6768.2 Ų68.247%0.46940%0.395SS..SBendtrans-97.95.2-165.563.80000116.9N44 E49N44-S47 PolarHBondContact O-N 3.34Å; N44-S47 VanDerWaalsContact O-N 3.12Å; N44-S47 PolarHBondContact O-OG 3.33Å; N44-S47 VanDerWaalsContact O-OG 3.12Å; S47-E49 PolarHBondContact O-N 2.72Å; S47-E49 VanDerWaalsContact OG-CG 3.25Å; S47-E49 WeakPolarHBondContact OG-CG 3.43Å; S47-E49 PolarHBondContact OG-OE1 3.36Å
48G59.2Low79.5Confident76 Ų7664.9 Ų64.978%0.78438%0.38SS*.  trans61.423.4-177.400000113.1
49E66.4Low79.6Confident94 Ų9466.3 Ų66.344%0.43939%0.386SS..PPolyproline II helixtrans-60.3145.7179-94.5169.9-145.100111.5Y41 S47Y41-E49 HydrophobicContact CD2-CB 4.36Å; Y41-E49 WeakPolarHBondContact CE2-O 3.29Å; S47-E49 PolarHBondContact O-N 2.72Å; S47-E49 VanDerWaalsContact OG-CG 3.25Å; S47-E49 WeakPolarHBondContact OG-CG 3.43Å; S47-E49 PolarHBondContact OG-OE1 3.36Å
50K74.9Confident79.6Confident186 Ų18661.4 Ų61.481%0.80937%0.368SS*.PPolyproline II helixtrans-71.1144.9176.6-74-177-179.1178.30109.3
51P78.7Confident79.6Confident61 Ų6161.2 Ų61.240%0.39636%0.361SS..PPolyproline II helixtrans-53.6139.1173.523.2-35.7000112.1Y3Y3-P51 HydrophobicContact CD1-CB 3.53Å; Y3-P51 HydrophobicContact CD2-CB 4.31Å; Y3-P51 HydrophobicContact CE1-CB 2.97Å; Y3-P51 HydrophobicContact CE1-CG 4.24Å; Y3-P51 HydrophobicContact CE2-CB 3.83Å; Y3-P51 HydrophobicContact CE2-CG 4.45Å; Y3-P51 HydrophobicContact CG-CB 4.17Å; Y3-P51 WeakPolarHBondContact OH-CB 3.14Å
52P82.3Confident79.5Confident10 Ų1061.7 Ų61.77%0.06536%0.364CS..PPolyproline II helixtrans-61.8139.6178.63.6-6000110.7Y3 E37 Y41 S54 R55Y3-P52 PolarHBondContact OH-O 2.87Å; E37-P52 HydrophobicContact CB-CB 4.17Å; Y41-P52 HydrophobicContact CD1-CG 4.4Å; Y41-P52 HydrophobicContact CG-CG 4.13Å; P52-S54 VanDerWaalsContact C-N 3.29Å; P52-S54 PolarHBondContact O-N 3.5Å; P52-R55 PolarHBondContact O-NH1 3.48Å
53P77.3Confident79.3Confident117 Ų11768.7 Ų68.776%0.7639%0.388SS*.SBendtrans-74.1-23.1-176.230.9-35.3000112.7
54S83.2Confident78.7Confident54 Ų5463.2 Ų63.238%0.37836%0.363SS..  trans-113.8158.5-179.5-62.50000110.6P52P52-S54 VanDerWaalsContact C-N 3.29Å; P52-S54 PolarHBondContact O-N 3.5Å
55R85.4Confident77.7Confident20 Ų2067.9 Ų67.98%0.07539%0.388CS..  trans-130.9155.3178.8-73.3-55-158.6-124.57.8110.8Y3 P52 Q57 Y80 S82Y3-R55 PolarHBondContact OH-NH1 3.41Å; Y3-R55 PolarHBondContact OH-NH2 3.08Å; Y3-R55 VanDerWaalsContact OH-NH2 3.07Å; P52-R55 PolarHBondContact O-NH1 3.48Å; R55-Q57 PolarHBondContact O-N 2.78Å; R55-Y80 WeakPolarHBondContact CB-O 3.44Å; R55-Y80 WeakPolarHBondContact CG-O 3.29Å; R55-S82 PolarHBondContact NH2-O 3.14Å
56P86.5Confident77.4Confident0 Ų066 Ų660%037%0.374CS..  trans-56.8134.9-179.1-24.634.2000112V14 L35 L38 Y80V14-P56 HydrophobicContact CG2-CB 4.45Å; L35-P56 HydrophobicContact CB-CG 4.31Å; L35-P56 HydrophobicContact CD1-CG 4.08Å; L38-P56 HydrophobicContact CD2-CG 3.74Å; P56-Y80 PolarHBondContact O-N 3.4Å
57Q90.8Very high77.3Confident82 Ų8267.2 Ų67.238%0.38338%0.376SS..EExtended strand (participates in β ladder)trans-118.4135.3165.1-177175.620.500108.5T30 D31 R55 C78 A79T30-Q57 PolarHBondContact N-O 2.86Å; D31-Q57 PolarHBondContact N-O 2.91Å; R55-Q57 PolarHBondContact O-N 2.78Å; Q57-C78 WeakPolarHBondContact CA-O 3.49Å; Q57-C78 WeakPolarHBondContact CG-O 3.25Å; Q57-A79 HydrophobicContact CB-CB 4.37Å; Q57-A79 HydrophobicContact CG-CB 4.13Å
58F91.3Very high77.1Confident2 Ų269.2 Ų69.21%0.00939%0.386CS..EExtended strand (participates in β ladder)trans-148.8168.4-179.556-88.4000111V14 L17 E28 L29 I60 T77 C78 Y80 V124V14-F58 HydrophobicContact CG2-CE1 4.04Å; L17-F58 HydrophobicContact CD1-CE2 3.85Å; L17-F58 HydrophobicContact CD1-CZ 3.72Å; E28-F58 CarbonylContact O-C 3.58Å; E28-F58 WeakPolarHBondContact O-CA 3.37Å; E28-F58 VanDerWaalsContact O-CB 3.28Å; E28-F58 WeakPolarHBondContact O-CB 3.23Å; L29-F58 HydrophobicContact CD2-CB 3.72Å; L29-F58 HydrophobicContact CD2-CD1 4.17Å; L29-F58 HydrophobicContact CD2-CG 4.23Å; L29-F58 HydrophobicContact CG-CB 4.4Å; F58-I60 HydrophobicContact CD2-CD1 4.48Å; F58-I60 HydrophobicContact CD2-CG1 4.15Å; F58-I60 HydrophobicContact CE2-CD1 4.05Å; F58-I60 HydrophobicContact CE2-CG1 4.22Å; F58-T77 WeakPolarHBondContact O-CA 3.2Å; F58-C78 HydrophobicContact CD2-CB 4.24Å; F58-C78 HydrophobicContact CE1-CB 4.24Å; F58-C78 HydrophobicContact CE2-CB 3.74Å; F58-C78 HydrophobicContact CZ-CB 3.75Å; F58-C78 PolarHBondContact N-O 3.27Å; F58-C78 PolarHBondContact O-N 3.02Å; F58-Y80 HydrophobicContact CE1-CD1 4.34Å; F58-Y80 AromaticContact CE1-CE1 3.67Å; F58-Y80 HydrophobicContact CE1-CE1 3.67Å; F58-Y80 HydrophobicContact CE1-CE2 4.25Å; F58-Y80 AromaticContact CE1-CZ 3.61Å; F58-Y80 AromaticContact CZ-CE1 3.76Å; F58-Y80 HydrophobicContact CZ-CE1 3.76Å; F58-Y80 AromaticContact CZ-CZ 3.77Å; F58-Y80 WeakPolarHBondContact CZ-OH 3.34Å; F58-V124 HydrophobicContact CE2-CG1 3.99Å; F58-V124 HydrophobicContact CZ-CG1 4.1Å; F58-V124 HydrophobicContact CZ-CG2 4.33Å
59F91.1Very high76.8Confident30 Ų3067 Ų6713%0.13236%0.355CS..EExtended strand (participates in β ladder)trans-129.1149.4167.763.3-102.1000111.2L27 E28 K61 I75 L76L27-F59 WeakPolarHBondContact CA-O 3.37Å; E28-F59 HydrophobicContact CB-CD1 4.18Å; E28-F59 HydrophobicContact CB-CD2 4.19Å; E28-F59 HydrophobicContact CB-CE1 3.56Å; E28-F59 HydrophobicContact CB-CE2 3.52Å; E28-F59 HydrophobicContact CB-CZ 3.23Å; E28-F59 HydrophobicContact CG-CE1 3.99Å; E28-F59 HydrophobicContact CG-CZ 3.84Å; E28-F59 PolarHBondContact N-O 2.8Å; E28-F59 PolarHBondContact O-N 2.88Å; E28-F59 VanDerWaalsContact OE2-CZ 3.23Å; E28-F59 WeakPolarHBondContact OE2-CZ 3.09Å; F59-K61 HydrophobicContact CD2-CG 3.81Å; F59-K61 HydrophobicContact CE2-CD 4.15Å; F59-K61 HydrophobicContact CE2-CG 3.82Å; F59-I75 HydrophobicContact CB-CG2 3.91Å; F59-I75 HydrophobicContact CD2-CG2 4.24Å; F59-I75 HydrophobicContact CG-CG2 4.29Å; F59-L76 CarbonylContact C-O 3.56Å; F59-L76 WeakPolarHBondContact CA-O 3.46Å
60I91.3Very high76.1Confident0 Ų070.2 Ų70.20%038%0.375CS..EExtended strand (participates in β ladder)trans-115119.3174.3-58.2174.8000107.3L17 F21 E26 L27 F58 I75 L76 V124 V128L17-I60 HydrophobicContact CD2-CD1 4.13Å; F21-I60 HydrophobicContact CD1-CG2 4Å; F21-I60 HydrophobicContact CD2-CD1 4.26Å; F21-I60 HydrophobicContact CD2-CG2 4.31Å; F21-I60 HydrophobicContact CE1-CG2 3.83Å; F21-I60 HydrophobicContact CE2-CD1 3.94Å; F21-I60 HydrophobicContact CE2-CG2 4.19Å; F21-I60 HydrophobicContact CG-CG2 4.25Å; F21-I60 HydrophobicContact CZ-CD1 4.5Å; F21-I60 HydrophobicContact CZ-CG2 3.96Å; E26-I60 CarbonylContact O-C 3.38Å; E26-I60 WeakPolarHBondContact O-CA 3.43Å; L27-I60 HydrophobicContact CD1-CD1 4.36Å; L27-I60 HydrophobicContact CD1-CG1 4.06Å; L27-I60 HydrophobicContact CG-CG1 4.32Å; F58-I60 HydrophobicContact CD2-CD1 4.48Å; F58-I60 HydrophobicContact CD2-CG1 4.15Å; F58-I60 HydrophobicContact CE2-CD1 4.05Å; F58-I60 HydrophobicContact CE2-CG1 4.22Å; I60-I75 WeakPolarHBondContact O-CA 3.19Å; I60-L76 PolarHBondContact N-O 3.23Å; I60-L76 PolarHBondContact O-N 2.8Å; I60-V124 HydrophobicContact CD1-CG1 4.01Å; I60-V128 HydrophobicContact CD1-CG2 3.79Å; I60-V128 HydrophobicContact CG2-CG2 4.38Å
61K90.6Very high75.4Confident45 Ų4569.7 Ų69.720%0.19638%0.376CS..EExtended strand (participates in β ladder)trans-96.1130172.4-57-165.3-169.1114.10109.1D25 E26 F59 I75D25-K61 WeakPolarHBondContact O-CD 3.07Å; D25-K61 WeakPolarHBondContact O-CG 3.38Å; D25-K61 PolarHBondContact O-NZ 3.34Å; E26-K61 PolarHBondContact O-N 3.16Å; F59-K61 HydrophobicContact CD2-CG 3.81Å; F59-K61 HydrophobicContact CE2-CD 4.15Å; F59-K61 HydrophobicContact CE2-CG 3.82Å; K61-I75 HydrophobicContact CD-CD1 4.46Å; K61-I75 HydrophobicContact CG-CD1 4.47Å; K61-I75 HydrophobicContact CG-CG1 4.14Å; K61-I75 HydrophobicContact CG-CG2 4.45Å
62Q86.7Confident75Confident41 Ų4167.8 Ų67.819%0.19236%0.363CS..EExtended strand (participates in β ladder)trans-133.5130.7179.4-178.766.557.300111.1E73 F74 K132Q62-E73 VanDerWaalsContact O-CA 3.26Å; Q62-E73 WeakPolarHBondContact O-CA 3.46Å; Q62-F74 HydrophobicContact CB-CD1 4.1Å; Q62-F74 HydrophobicContact CB-CE1 3.52Å; Q62-F74 HydrophobicContact CB-CE2 4.06Å; Q62-F74 HydrophobicContact CB-CZ 3.5Å; Q62-F74 VanDerWaalsContact CB-CZ 3.5Å; Q62-F74 HydrophobicContact CG-CD1 4.45Å; Q62-F74 HydrophobicContact CG-CE1 3.6Å; Q62-F74 HydrophobicContact CG-CZ 3.8Å; Q62-F74 PolarHBondContact N-O 2.78Å; Q62-F74 PolarHBondContact O-N 3.46Å; Q62-K132 HydrophobicContact CG-CD 4.31Å; Q62-K132 HydrophobicContact CG-CG 4.12Å
63R84.4Confident75.2Confident168 Ų16871.2 Ų71.263%0.63438%0.378SS*.EExtended strand (participates in β ladder)trans-80.4139.6171.1-62.9-177.1-179.2-179.61.1110.6
64L76.6Confident75.7Confident18 Ų1865.6 Ų65.69%0.09434%0.342CS..EExtended strand (participates in β ladder)trans-94.2112.1176-62.3171.9000109.9S66 T72 F74 V135 I139L64-S66 PolarHBondContact O-N 2.95Å; L64-S66 VanDerWaalsContact O-N 3.15Å; L64-T72 VanDerWaalsContact CB-O 3.27Å; L64-T72 WeakPolarHBondContact CB-O 3.41Å; L64-T72 HydrophobicContact CD1-CG2 4.11Å; L64-T72 WeakPolarHBondContact CG-O 3.38Å; L64-T72 PolarHBondContact N-O 3.19Å; L64-F74 HydrophobicContact CD1-CD1 4.43Å; L64-F74 HydrophobicContact CD2-CD1 3.69Å; L64-F74 HydrophobicContact CD2-CE1 3.75Å; L64-F74 HydrophobicContact CG-CD1 4.05Å; L64-V135 HydrophobicContact CD1-CG1 3.69Å; L64-V135 HydrophobicContact CD1-CG2 4.38Å; L64-V135 HydrophobicContact CD2-CG1 3.41Å; L64-V135 VanDerWaalsContact CD2-CG1 3.41Å; L64-V135 HydrophobicContact CG-CG1 4.19Å; L64-I139 HydrophobicContact CD1-CD1 3.77Å
65D60Low76Confident177 Ų17765.3 Ų65.395%0.94734%0.336SS*.  trans-8091.5169.3-84.4-33.4000109.4
66S56.1Low76.4Confident28 Ų2864.4 Ų64.420%0.19633%0.332CS..  trans-131.8122.2170.7146.40000108.6L64 V68 M69L64-S66 PolarHBondContact O-N 2.95Å; L64-S66 VanDerWaalsContact O-N 3.15Å; S66-V68 PolarHBondContact O-N 3.31Å; S66-V68 PolarHBondContact OG-N 3.45Å; S66-M69 PolarHBondContact O-N 3.04Å; S66-M69 VanDerWaalsContact O-N 3.08Å
67S54.3Low76.6Confident135 Ų13565.8 Ų65.894%0.94434%0.341SS*.THydrogen-bonded Turntrans-58.9-4.1-179.475.60000114.9
68V51.6Low76.7Confident110 Ų11061.9 Ų61.967%0.66732%0.323SS*.THydrogen-bonded Turntrans-110-13-174.3-172.20000112.1S66S66-V68 PolarHBondContact O-N 3.31Å; S66-V68 PolarHBondContact OG-N 3.45Å
69M53.1Low76.8Confident30 Ų3063 Ų6315%0.14833%0.332CS..SBendtrans-131.8117.7-174.3-65.9179.5-17600110S66 E71 I139 K140 L143S66-M69 PolarHBondContact O-N 3.04Å; S66-M69 VanDerWaalsContact O-N 3.08Å; M69-E71 PolarHBondContact O-N 2.96Å; M69-I139 HydrophobicContact CE-CB 4.05Å; M69-I139 HydrophobicContact CE-CG2 3.43Å; M69-I139 VanDerWaalsContact CE-CG2 3.43Å; M69-I139 HydrophobicContact SD-CB 4.18Å; M69-I139 HydrophobicContact SD-CD1 4.26Å; M69-I139 HydrophobicContact SD-CG2 3.56Å; M69-I139 VanDerWaalsContact SD-CG2 3.56Å; M69-K140 HydrophobicContact CE-CG 4.13Å; M69-L143 HydrophobicContact CE-CD1 3.55Å
70N51.8Low76.8Confident161 Ų16162.2 Ų62.286%0.86133%0.328SS*.SBendtrans-51.8129.5170.1-77-10.6000109.7T72N70-T72 VanDerWaalsContact C-N 3.26Å; N70-T72 PolarHBondContact O-N 3.24Å; N70-T72 PolarHBondContact O-OG1 2.71Å
71E59.7Low76.8Confident174 Ų17463.5 Ų63.581%0.81334%0.337SS*.SBendtrans12.461.1167.9-62.8-173.7155.600115.9M69M69-E71 PolarHBondContact O-N 2.96Å
72T70.9Confident76.8Confident22 Ų2262.7 Ų62.714%0.13534%0.337CS..EExtended strand (participates in β ladder)trans-89.7129.6178.4-58.80000108.3L64 N70 A97 I139L64-T72 VanDerWaalsContact CB-O 3.27Å; L64-T72 WeakPolarHBondContact CB-O 3.41Å; L64-T72 HydrophobicContact CD1-CG2 4.11Å; L64-T72 WeakPolarHBondContact CG-O 3.38Å; L64-T72 PolarHBondContact N-O 3.19Å; N70-T72 VanDerWaalsContact C-N 3.26Å; N70-T72 PolarHBondContact O-N 3.24Å; N70-T72 PolarHBondContact O-OG1 2.71Å; T72-A97 HydrophobicContact CG2-CB 3.72Å; T72-I139 HydrophobicContact CG2-CD1 4.26Å
73E86.3Confident76.9Confident81 Ų8164.8 Ų64.838%0.37935%0.347SS..EExtended strand (participates in β ladder)trans-111.2153175.762-179.6-152.800111.5Q62 C95Q62-E73 VanDerWaalsContact O-CA 3.26Å; Q62-E73 WeakPolarHBondContact O-CA 3.46Å; E73-C95 PolarHBondContact O-SG 3.3Å
74F87.4Confident77.3Confident0 Ų056.8 Ų56.80%032%0.317CS..EExtended strand (participates in β ladder)trans-120.8151.3163.873.8-91.8000109.8Q62 L64 L76 V93 R94 C95 V131 K132 V135Q62-F74 HydrophobicContact CB-CD1 4.1Å; Q62-F74 HydrophobicContact CB-CE1 3.52Å; Q62-F74 HydrophobicContact CB-CE2 4.06Å; Q62-F74 HydrophobicContact CB-CZ 3.5Å; Q62-F74 VanDerWaalsContact CB-CZ 3.5Å; Q62-F74 HydrophobicContact CG-CD1 4.45Å; Q62-F74 HydrophobicContact CG-CE1 3.6Å; Q62-F74 HydrophobicContact CG-CZ 3.8Å; Q62-F74 PolarHBondContact N-O 2.78Å; Q62-F74 PolarHBondContact O-N 3.46Å; L64-F74 HydrophobicContact CD1-CD1 4.43Å; L64-F74 HydrophobicContact CD2-CD1 3.69Å; L64-F74 HydrophobicContact CD2-CE1 3.75Å; L64-F74 HydrophobicContact CG-CD1 4.05Å; F74-L76 HydrophobicContact CE2-CB 4.36Å; F74-V93 HydrophobicContact CD2-CG1 4.49Å; F74-R94 CarbonylContact C-O 3.51Å; F74-R94 WeakPolarHBondContact CA-O 3.37Å; F74-C95 HydrophobicContact CB-CB 3.95Å; F74-V131 HydrophobicContact CD1-CG1 4.29Å; F74-V131 HydrophobicContact CD2-CG1 3.59Å; F74-V131 HydrophobicContact CE1-CG1 4.18Å; F74-V131 HydrophobicContact CE2-CB 4.06Å; F74-V131 HydrophobicContact CE2-CG1 3.49Å; F74-V131 VanDerWaalsContact CE2-CG1 3.49Å; F74-V131 HydrophobicContact CG-CG1 4Å; F74-V131 HydrophobicContact CZ-CB 4.22Å; F74-V131 HydrophobicContact CZ-CG1 3.79Å; F74-K132 HydrophobicContact CE1-CG 3.82Å; F74-K132 HydrophobicContact CZ-CG 3.76Å; F74-V135 HydrophobicContact CD1-CG1 4.35Å
75I90.3Very high77.9Confident48 Ų4856.1 Ų56.125%0.24631%0.313CS..EExtended strand (participates in β ladder)trans-116.7123177.4-52.2-178.2000107.2F59 I60 K61 V93 R94F59-I75 HydrophobicContact CB-CG2 3.91Å; F59-I75 HydrophobicContact CD2-CG2 4.24Å; F59-I75 HydrophobicContact CG-CG2 4.29Å; I60-I75 WeakPolarHBondContact O-CA 3.19Å; K61-I75 HydrophobicContact CD-CD1 4.46Å; K61-I75 HydrophobicContact CG-CD1 4.47Å; K61-I75 HydrophobicContact CG-CG1 4.14Å; K61-I75 HydrophobicContact CG-CG2 4.45Å; I75-V93 CarbonylContact O-C 3.47Å; I75-R94 PolarHBondContact N-O 3.12Å; I75-R94 PolarHBondContact O-N 3Å
76L93.4Very high79.3Confident0 Ų049.9 Ų49.90%028%0.284CS..EExtended strand (participates in β ladder)trans-102.9111.4171.7-173.7151.3000107.9F59 I60 F74 C78 I91 T92 A127 V128 V131F59-L76 CarbonylContact C-O 3.56Å; F59-L76 WeakPolarHBondContact CA-O 3.46Å; I60-L76 PolarHBondContact N-O 3.23Å; I60-L76 PolarHBondContact O-N 2.8Å; F74-L76 HydrophobicContact CE2-CB 4.36Å; L76-C78 HydrophobicContact CD2-CB 4.08Å; L76-I91 HydrophobicContact CD1-CG2 3.82Å; L76-I91 HydrophobicContact CD2-CG2 3.74Å; L76-I91 HydrophobicContact CG-CG2 3.62Å; L76-T92 CarbonylContact C-O 3.54Å; L76-T92 WeakPolarHBondContact CA-O 3.21Å; L76-A127 HydrophobicContact CD1-CB 4.12Å; L76-V128 HydrophobicContact CD1-CG2 3.93Å; L76-V131 HydrophobicContact CD1-CG2 4.41Å
77T91.8Very high80.9Confident30 Ų3051.3 Ų51.318%0.18429%0.291CS..EExtended strand (participates in β ladder)trans-94.8130.7172.8-57.50000108.9F58 I91 T92F58-T77 WeakPolarHBondContact O-CA 3.2Å; T77-I91 CarbonylContact O-C 3.49Å; T77-I91 WeakPolarHBondContact O-CA 3.21Å; T77-T92 PolarHBondContact N-O 2.87Å; T77-T92 PolarHBondContact O-N 3.42Å
78C92.7Very high82.6Confident0 Ų046.4 Ų46.40%025%0.254CS..EExtended strand (participates in β ladder)trans-127133.9-178.2-172.80000110.1Q57 F58 L76 Y80 D90 I91Q57-C78 WeakPolarHBondContact CA-O 3.49Å; Q57-C78 WeakPolarHBondContact CG-O 3.25Å; F58-C78 HydrophobicContact CD2-CB 4.24Å; F58-C78 HydrophobicContact CE1-CB 4.24Å; F58-C78 HydrophobicContact CE2-CB 3.74Å; F58-C78 HydrophobicContact CZ-CB 3.75Å; F58-C78 PolarHBondContact N-O 3.27Å; F58-C78 PolarHBondContact O-N 3.02Å; L76-C78 HydrophobicContact CD2-CB 4.08Å; C78-Y80 WeakPolarHBondContact SG-CE1 3.39Å; C78-D90 WeakPolarHBondContact CA-O 3.33Å; C78-I91 HydrophobicContact CB-CG1 4.33Å
79A91.8Very high84.5Confident26 Ų2641.4 Ų41.422%0.21522%0.224CC..EExtended strand (participates in β ladder)trans-125.4133.9168.100000109.4Q57 P81 D90Q57-A79 HydrophobicContact CB-CB 4.37Å; Q57-A79 HydrophobicContact CG-CB 4.13Å; A79-P81 WeakPolarHBondContact O-CD 3.4Å; A79-D90 HydrophobicContact CB-CB 4.29Å; A79-D90 PolarHBondContact N-O 2.8Å; A79-D90 PolarHBondContact O-N 3.38Å
80Y92.5Very high86.2Confident12 Ų1245.5 Ų45.55%0.04725%0.246CC..  trans-88.6127179.5-69.6-4.5000111.1Q10 E13 V14 R55 P56 F58 C78 Y84 P89 V124Q10-Y80 HydrophobicContact CB-CD2 3.89Å; Q10-Y80 HydrophobicContact CB-CE2 4.09Å; Q10-Y80 HydrophobicContact CG-CD2 3.78Å; Q10-Y80 HydrophobicContact CG-CE2 4.24Å; E13-Y80 PolarHBondContact OE2-OH 2.67Å; V14-Y80 HydrophobicContact CG2-CD2 4.45Å; V14-Y80 HydrophobicContact CG2-CE2 3.57Å; R55-Y80 WeakPolarHBondContact CB-O 3.44Å; R55-Y80 WeakPolarHBondContact CG-O 3.29Å; P56-Y80 PolarHBondContact O-N 3.4Å; F58-Y80 HydrophobicContact CE1-CD1 4.34Å; F58-Y80 AromaticContact CE1-CE1 3.67Å; F58-Y80 HydrophobicContact CE1-CE1 3.67Å; F58-Y80 HydrophobicContact CE1-CE2 4.25Å; F58-Y80 AromaticContact CE1-CZ 3.61Å; F58-Y80 AromaticContact CZ-CE1 3.76Å; F58-Y80 HydrophobicContact CZ-CE1 3.76Å; F58-Y80 AromaticContact CZ-CZ 3.77Å; F58-Y80 WeakPolarHBondContact CZ-OH 3.34Å; C78-Y80 WeakPolarHBondContact SG-CE1 3.39Å; Y80-Y84 AromaticContact CD1-CD1 3.86Å; Y80-Y84 HydrophobicContact CD1-CD1 3.86Å; Y80-Y84 AromaticContact CD1-CE1 3.98Å; Y80-Y84 HydrophobicContact CD1-CE1 3.98Å; Y80-Y84 HydrophobicContact CD2-CD1 4Å; Y80-Y84 HydrophobicContact CD2-CE1 4.26Å; Y80-Y84 HydrophobicContact CE1-CD1 4.11Å; Y80-Y84 AromaticContact CE1-CE1 3.74Å; Y80-Y84 HydrophobicContact CE1-CE1 3.74Å; Y80-Y84 HydrophobicContact CE2-CD1 4.21Å; Y80-Y84 AromaticContact CE2-CE1 4Å; Y80-Y84 HydrophobicContact CE2-CE1 4Å; Y80-Y84 AromaticContact CG-CD1 3.82Å; Y80-Y84 HydrophobicContact CG-CD1 3.82Å; Y80-Y84 HydrophobicContact CG-CE1 4.25Å; Y80-Y84 AromaticContact CZ-CE1 3.76Å; Y80-P89 HydrophobicContact CD1-CB 3.92Å; Y80-P89 HydrophobicContact CE1-CB 4.3Å; Y80-V124 HydrophobicContact CE1-CG2 3.7Å
81P91Very high88.2Confident28 Ų2838 Ų3818%0.18221%0.206CC..  trans-66.6158.9159.4-23.634.8000111.3Q10 A79 E83 Y84 V87 L88Q10-P81 PolarHBondContact NE2-O 2.83Å; A79-P81 WeakPolarHBondContact O-CD 3.4Å; P81-E83 PolarHBondContact O-N 3.31Å; P81-Y84 PolarHBondContact O-N 3.32Å; P81-V87 HydrophobicContact CB-CG2 3.7Å; P81-V87 HydrophobicContact CG-CG2 3.94Å; P81-L88 WeakPolarHBondContact CG-O 2.98Å
82S89.6Confident89.6Confident27 Ų2732.6 Ų32.619%0.18919%0.185CC..THydrogen-bonded Turntrans-62.6-28.1177.5-67.20000113Y3 Q10 R55Y3-S82 WeakPolarHBondContact OH-CB 3.48Å; Y3-S82 PolarHBondContact OH-OG 3.03Å; Q10-S82 PolarHBondContact NE2-O 3.47Å; R55-S82 PolarHBondContact NH2-O 3.14Å
83E90.4Very high90.4Very high86 Ų8631.7 Ų31.740%0.40218%0.18SC..THydrogen-bonded Turntrans-92.1-5.3-177.6-55.880.1-174.900114W6 P81 S86 V87W6-E83 HydrophobicContact CE3-CB 4.29Å; W6-E83 HydrophobicContact CH2-CB 4.27Å; W6-E83 HydrophobicContact CH2-CG 4.29Å; W6-E83 HydrophobicContact CZ3-CB 4.04Å; W6-E83 HydrophobicContact CZ3-CG 3.92Å; P81-E83 PolarHBondContact O-N 3.31Å; E83-S86 WeakPolarHBondContact O-CA 3.19Å; E83-S86 VanDerWaalsContact O-CB 3.31Å; E83-S86 WeakPolarHBondContact O-CB 3.3Å; E83-S86 PolarHBondContact O-N 2.9Å; E83-S86 PolarHBondContact O-OG 2.82Å; E83-V87 HydrophobicContact CB-CG1 4.24Å; E83-V87 HydrophobicContact CB-CG2 3.89Å
84Y91.2Very high90.3Very high0 Ų036.1 Ų36.10%019%0.193CC..THydrogen-bonded Turntrans-62.6133.1177.2172.2-107.6000110.1Q10 E13 Y80 P81 V87 P89 L122 C123Q10-Y84 HydrophobicContact CG-CD1 3.81Å; Q10-Y84 HydrophobicContact CG-CE1 4.48Å; Q10-Y84 PolarHBondContact NE2-O 2.97Å; E13-Y84 PolarHBondContact OE1-OH 3.15Å; E13-Y84 WeakPolarHBondContact OE2-CE1 3.46Å; E13-Y84 PolarHBondContact OE2-OH 2.93Å; Y80-Y84 AromaticContact CD1-CD1 3.86Å; Y80-Y84 HydrophobicContact CD1-CD1 3.86Å; Y80-Y84 AromaticContact CD1-CE1 3.98Å; Y80-Y84 HydrophobicContact CD1-CE1 3.98Å; Y80-Y84 HydrophobicContact CD2-CD1 4Å; Y80-Y84 HydrophobicContact CD2-CE1 4.26Å; Y80-Y84 HydrophobicContact CE1-CD1 4.11Å; Y80-Y84 AromaticContact CE1-CE1 3.74Å; Y80-Y84 HydrophobicContact CE1-CE1 3.74Å; Y80-Y84 HydrophobicContact CE2-CD1 4.21Å; Y80-Y84 AromaticContact CE2-CE1 4Å; Y80-Y84 HydrophobicContact CE2-CE1 4Å; Y80-Y84 AromaticContact CG-CD1 3.82Å; Y80-Y84 HydrophobicContact CG-CD1 3.82Å; Y80-Y84 HydrophobicContact CG-CE1 4.25Å; Y80-Y84 AromaticContact CZ-CE1 3.76Å; P81-Y84 PolarHBondContact O-N 3.32Å; Y84-V87 VanDerWaalsContact CD2-O 3.23Å; Y84-V87 WeakPolarHBondContact CD2-O 3.39Å; Y84-P89 HydrophobicContact CD2-CB 3.93Å; Y84-P89 VanDerWaalsContact CD2-CD 3.45Å; Y84-P89 HydrophobicContact CD2-CG 3.85Å; Y84-P89 HydrophobicContact CE2-CB 4.1Å; Y84-P89 VanDerWaalsContact CE2-CD 3.4Å; Y84-P89 HydrophobicContact CE2-CG 3.57Å; Y84-P89 HydrophobicContact CG-CB 4.29Å; Y84-L122 HydrophobicContact CE1-CD2 4Å; Y84-L122 WeakPolarHBondContact OH-CA 3.43Å; Y84-C123 PolarHBondContact OH-N 3.32Å
85P89.5Confident90.1Very high4 Ų436.4 Ų36.43%0.02620%0.195CC..THydrogen-bonded Turncis-89.83.913.734.8-37.5000118M1 V87 G120 D121 L122M1-P85 HydrophobicContact CE-CG 4.34Å; P85-V87 CarbonylContact C-O 3.43Å; P85-V87 PolarHBondContact O-N 2.77Å; P85-G120 CarbonylContact O-C 3.49Å; P85-G120 WeakPolarHBondContact O-CA 3.29Å; P85-G120 PolarHBondContact O-N 2.87Å; P85-D121 WeakPolarHBondContact CB-O 3.35Å; P85-L122 HydrophobicContact CB-CD2 4.32Å; P85-L122 HydrophobicContact CG-CD2 4.3Å
86S89Confident89.5Confident46 Ų4639.5 Ų39.532%0.32222%0.22SC..SBendtrans-65.7-27.4178.774.30000113.7W6 E83W6-S86 VanDerWaalsContact CZ2-OG 3.31Å; W6-S86 WeakPolarHBondContact CZ2-OG 3.48Å; E83-S86 WeakPolarHBondContact O-CA 3.19Å; E83-S86 VanDerWaalsContact O-CB 3.31Å; E83-S86 WeakPolarHBondContact O-CB 3.3Å; E83-S86 PolarHBondContact O-N 2.9Å; E83-S86 PolarHBondContact O-OG 2.82Å
87V90.8Very high88.8Confident57 Ų5741 Ų4135%0.34523%0.233SC..SBendtrans-113.4160.6164-58.20000108.6P81 E83 Y84 P85P81-V87 HydrophobicContact CB-CG2 3.7Å; P81-V87 HydrophobicContact CG-CG2 3.94Å; E83-V87 HydrophobicContact CB-CG1 4.24Å; E83-V87 HydrophobicContact CB-CG2 3.89Å; Y84-V87 VanDerWaalsContact CD2-O 3.23Å; Y84-V87 WeakPolarHBondContact CD2-O 3.39Å; P85-V87 CarbonylContact C-O 3.43Å; P85-V87 PolarHBondContact O-N 2.77Å
88L88.7Confident88.1Confident33 Ų3340.5 Ų40.517%0.17323%0.229CC..  trans-71.7153176.3-68.3179.4000112.2P81 L114 M115 L119P81-L88 WeakPolarHBondContact CG-O 2.98Å; L88-L114 HydrophobicContact CD1-CB 3.81Å; L88-L114 HydrophobicContact CD2-CB 3.99Å; L88-M115 HydrophobicContact CD1-CB 4.22Å; L88-M115 HydrophobicContact CD1-CG 3.42Å; L88-M115 VanDerWaalsContact CD1-CG 3.42Å; L88-L119 HydrophobicContact CD2-CD1 4.32Å; L88-L119 HydrophobicContact CG-CD1 4.11Å
89P91.6Very high87.4Confident5 Ų542.7 Ų42.73%0.03225%0.245CC..  trans-75.9154.7170.831.4-26.4000110.7Y80 Y84 I91 C123 V124Y80-P89 HydrophobicContact CD1-CB 3.92Å; Y80-P89 HydrophobicContact CE1-CB 4.3Å; Y84-P89 HydrophobicContact CD2-CB 3.93Å; Y84-P89 VanDerWaalsContact CD2-CD 3.45Å; Y84-P89 HydrophobicContact CD2-CG 3.85Å; Y84-P89 HydrophobicContact CE2-CB 4.1Å; Y84-P89 VanDerWaalsContact CE2-CD 3.4Å; Y84-P89 HydrophobicContact CE2-CG 3.57Å; Y84-P89 HydrophobicContact CG-CB 4.29Å; P89-I91 HydrophobicContact CB-CG1 4.34Å; P89-I91 HydrophobicContact CG-CD1 3.86Å; P89-I91 HydrophobicContact CG-CG1 3.97Å; P89-I91 PolarHBondContact O-N 3.35Å; P89-C123 WeakPolarHBondContact CD-SG 3.47Å; P89-C123 VanDerWaalsContact CG-SG 3.55Å; P89-V124 HydrophobicContact CG-CG2 4.43Å
90D90.7Very high86.7Confident116 Ų11652 Ų5262%0.6227%0.274SS*.EExtended strand (participates in β ladder)trans-79.192.3175.8-78.1-36000109.3C78 A79C78-D90 WeakPolarHBondContact CA-O 3.33Å; A79-D90 HydrophobicContact CB-CB 4.29Å; A79-D90 PolarHBondContact N-O 2.8Å; A79-D90 PolarHBondContact O-N 3.38Å
91I91.9Very high85.9Confident3 Ų354.7 Ų54.72%0.01530%0.299CS..EExtended strand (participates in β ladder)trans-99.9127.7179.1-62.7-179000110.1L76 T77 C78 P89 Q107 L110 L114 A127L76-I91 HydrophobicContact CD1-CG2 3.82Å; L76-I91 HydrophobicContact CD2-CG2 3.74Å; L76-I91 HydrophobicContact CG-CG2 3.62Å; T77-I91 CarbonylContact O-C 3.49Å; T77-I91 WeakPolarHBondContact O-CA 3.21Å; C78-I91 HydrophobicContact CB-CG1 4.33Å; P89-I91 HydrophobicContact CB-CG1 4.34Å; P89-I91 HydrophobicContact CG-CD1 3.86Å; P89-I91 HydrophobicContact CG-CG1 3.97Å; P89-I91 PolarHBondContact O-N 3.35Å; I91-Q107 PolarHBondContact O-NE2 2.88Å; I91-L110 HydrophobicContact CG2-CD2 3.79Å; I91-L114 HydrophobicContact CD1-CD1 3.96Å; I91-A127 HydrophobicContact CD1-CB 3.51Å
92T89.8Confident85.5Confident60 Ų6053.8 Ų53.837%0.36829%0.293SS..EExtended strand (participates in β ladder)trans-123.8132.1170.459.10000111.1L76 T77L76-T92 CarbonylContact C-O 3.54Å; L76-T92 WeakPolarHBondContact CA-O 3.21Å; T77-T92 PolarHBondContact N-O 2.87Å; T77-T92 PolarHBondContact O-N 3.42Å
93V88.6Confident85.2Confident4 Ų454.6 Ų54.62%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-97.8142.3176.2-176.40000108.8F74 I75 Q103 I106 L110 V131F74-V93 HydrophobicContact CD2-CG1 4.49Å; I75-V93 CarbonylContact O-C 3.47Å; V93-Q103 VanDerWaalsContact O-CD 3.31Å; V93-Q103 PolarHBondContact O-NE2 2.96Å; V93-I106 HydrophobicContact CG1-CD1 4.41Å; V93-L110 HydrophobicContact CG2-CD2 3.57Å; V93-V131 HydrophobicContact CG1-CG1 3.89Å; V93-V131 HydrophobicContact CG2-CG1 4.4Å; V93-V131 HydrophobicContact CG2-CG2 3.61Å
94R84.6Confident84.8Confident173 Ų17354.6 Ų54.665%0.65330%0.299SS*.EExtended strand (participates in β ladder)trans-135.1128.3168.6-67.7-170.6179.51744109.8F74 I75F74-R94 CarbonylContact C-O 3.51Å; F74-R94 WeakPolarHBondContact CA-O 3.37Å; I75-R94 PolarHBondContact N-O 3.12Å; I75-R94 PolarHBondContact O-N 3Å
95C82.6Confident84.6Confident7 Ų757.4 Ų57.45%0.04731%0.313CS..EExtended strand (participates in β ladder)trans-138.2129172.5-179.50000108.7E73 F74 A97 L98 V135E73-C95 PolarHBondContact O-SG 3.3Å; F74-C95 HydrophobicContact CB-CB 3.95Å; C95-A97 PolarHBondContact O-N 3.11Å; C95-L98 HydrophobicContact CB-CB 4.46Å; C95-L98 HydrophobicContact CB-CD1 3.83Å; C95-L98 HydrophobicContact CB-CG 3.84Å; C95-L98 PolarHBondContact O-N 3.29Å; C95-L98 VanDerWaalsContact O-N 3.14Å; C95-V135 HydrophobicContact CB-CG2 4.44Å
96S77.6Confident84.7Confident112 Ų11257.2 Ų57.278%0.78331%0.311SS*.THydrogen-bonded Turntrans-62.4-26.7-178.852.40000112.7L98S96-L98 VanDerWaalsContact C-N 3.32Å
97A78.1Confident84.7Confident33 Ų3356.8 Ų56.827%0.27330%0.304SS..THydrogen-bonded Turntrans-80.8-6178.900000114.3T72 C95 I139T72-A97 HydrophobicContact CG2-CB 3.72Å; C95-A97 PolarHBondContact O-N 3.11Å; A97-I139 HydrophobicContact CB-CD1 4.05Å; A97-I139 HydrophobicContact CB-CG1 3.96Å; A97-I139 HydrophobicContact CB-CG2 3.87Å
98L78.1Confident84.6Confident18 Ų1857 Ų579%0.09431%0.306CS..SBendtrans-94.6134.2177.8-64.1179.8000111.7C95 S96 Q102 I106 V135 F138 I139C95-L98 HydrophobicContact CB-CB 4.46Å; C95-L98 HydrophobicContact CB-CD1 3.83Å; C95-L98 HydrophobicContact CB-CG 3.84Å; C95-L98 PolarHBondContact O-N 3.29Å; C95-L98 VanDerWaalsContact O-N 3.14Å; S96-L98 VanDerWaalsContact C-N 3.32Å; L98-Q102 HydrophobicContact CB-CB 4.43Å; L98-Q102 HydrophobicContact CD2-CB 4.17Å; L98-I106 HydrophobicContact CD1-CD1 4.15Å; L98-I106 HydrophobicContact CD1-CG2 3.9Å; L98-V135 HydrophobicContact CD1-CG2 4.33Å; L98-F138 HydrophobicContact CD2-CB 3.65Å; L98-I139 HydrophobicContact CD2-CB 4.37Å; L98-I139 HydrophobicContact CD2-CG1 3.61Å; L98-I139 HydrophobicContact CG-CG1 4.28Å
99S77.5Confident84.7Confident47 Ų4757.6 Ų57.633%0.32931%0.309SS..  trans-67.5163.3166.470.70000111.5A101 Q102 Q103 S142S99-A101 VanDerWaalsContact C-N 3.26Å; S99-A101 PolarHBondContact O-N 3.34Å; S99-Q102 PolarHBondContact O-N 3.48Å; S99-Q102 VanDerWaalsContact O-N 3.16Å; S99-Q102 WeakPolarHBondContact OG-CG 3.45Å; S99-Q102 PolarHBondContact OG-N 3.45Å; S99-Q103 WeakPolarHBondContact O-CB 3.25Å; S99-Q103 PolarHBondContact O-N 2.73Å; S99-S142 PolarHBondContact N-OG 2.94Å
100R77Confident84.7Confident220 Ų22057.4 Ų57.483%0.8331%0.308SS*.Hα-helixtrans-55.7-41.4177-178.1-176.8-72.5-97.21.9112.2Q103 T104R100-Q103 PolarHBondContact O-N 3.38Å; R100-T104 PolarHBondContact O-N 3.46Å; R100-T104 VanDerWaalsContact O-N 3.07Å; R100-T104 PolarHBondContact O-OG1 3.21Å
101A76.4Confident84.6Confident69 Ų6954.9 Ų54.957%0.5729%0.294SS*.Hα-helixtrans-64.8-45.117900000111.3S99 Q103 T104 E105S99-A101 VanDerWaalsContact C-N 3.26Å; S99-A101 PolarHBondContact O-N 3.34Å; A101-Q103 VanDerWaalsContact C-N 3.34Å; A101-Q103 PolarHBondContact O-N 3.06Å; A101-T104 PolarHBondContact O-N 3.43Å; A101-E105 WeakPolarHBondContact O-CB 3.47Å; A101-E105 PolarHBondContact O-N 3.07Å
102Q81.6Confident84.5Confident10 Ų1060.5 Ų60.55%0.04732%0.319CS..Hα-helixtrans-69.2-32.4178.3-65.5-61.9-60.300112.3L98 S99 E105 I106 F138L98-Q102 HydrophobicContact CB-CB 4.43Å; L98-Q102 HydrophobicContact CD2-CB 4.17Å; S99-Q102 PolarHBondContact O-N 3.48Å; S99-Q102 VanDerWaalsContact O-N 3.16Å; S99-Q102 WeakPolarHBondContact OG-CG 3.45Å; S99-Q102 PolarHBondContact OG-N 3.45Å; Q102-E105 PolarHBondContact NE2-OE2 2.92Å; Q102-E105 PolarHBondContact O-N 3.43Å; Q102-E105 PolarHBondContact OE1-OE2 3.47Å; Q102-I106 WeakPolarHBondContact O-CG2 3.2Å; Q102-I106 PolarHBondContact O-N 3.26Å; Q102-F138 PolarHBondContact OE1-O 3.1Å
103Q83.1Confident84.6Confident43 Ų4360.9 Ų60.920%0.20131%0.314CS..Hα-helixtrans-64.5-39173-169.965.179.200112.2V93 S99 R100 A101 I106 Q107V93-Q103 VanDerWaalsContact O-CD 3.31Å; V93-Q103 PolarHBondContact O-NE2 2.96Å; S99-Q103 WeakPolarHBondContact O-CB 3.25Å; S99-Q103 PolarHBondContact O-N 2.73Å; R100-Q103 PolarHBondContact O-N 3.38Å; A101-Q103 VanDerWaalsContact C-N 3.34Å; A101-Q103 PolarHBondContact O-N 3.06Å; Q103-I106 VanDerWaalsContact O-CG2 3.3Å; Q103-I106 WeakPolarHBondContact O-CG2 3.42Å; Q103-Q107 VanDerWaalsContact O-CB 3.29Å; Q103-Q107 WeakPolarHBondContact O-CB 3.46Å; Q103-Q107 PolarHBondContact O-N 2.91Å
104T82.9Confident84.5Confident87 Ų8760.7 Ų60.753%0.53431%0.313SS..Hα-helixtrans-70.5-38.4172.9-59.70000111.5R100 A101 Q107 T108R100-T104 PolarHBondContact O-N 3.46Å; R100-T104 VanDerWaalsContact O-N 3.07Å; R100-T104 PolarHBondContact O-OG1 3.21Å; A101-T104 PolarHBondContact O-N 3.43Å; T104-Q107 PolarHBondContact O-N 3.48Å; T104-T108 WeakPolarHBondContact O-CB 3.43Å; T104-T108 PolarHBondContact O-N 3.25Å; T104-T108 PolarHBondContact O-OG1 2.73Å
105E86.9Confident84.7Confident59 Ų5958.5 Ų58.528%0.27631%0.311SS..Hα-helixtrans-64.3-52.2179-161.8179.2173.700111.6A101 Q102 Q107 T108 D109 F138 K141A101-E105 WeakPolarHBondContact O-CB 3.47Å; A101-E105 PolarHBondContact O-N 3.07Å; Q102-E105 PolarHBondContact NE2-OE2 2.92Å; Q102-E105 PolarHBondContact O-N 3.43Å; Q102-E105 PolarHBondContact OE1-OE2 3.47Å; E105-Q107 VanDerWaalsContact C-N 3.28Å; E105-Q107 PolarHBondContact O-N 2.81Å; E105-T108 WeakPolarHBondContact O-CB 3.43Å; E105-T108 PolarHBondContact O-N 2.68Å; E105-T108 VanDerWaalsContact O-N 3.09Å; E105-D109 PolarHBondContact O-N 2.99Å; E105-F138 HydrophobicContact CB-CD1 4.49Å; E105-F138 HydrophobicContact CB-CE1 4.17Å; E105-F138 HydrophobicContact CG-CD1 4.49Å; E105-F138 HydrophobicContact CG-CE1 3.82Å; E105-K141 IonicContact OE1-NZ 3.24Å; E105-K141 PolarHBondContact OE1-NZ 2.76Å; E105-K141 IonicContact OE2-NZ 3.33Å; E105-K141 PolarHBondContact OE2-NZ 2.98Å
106I90.1Very high85Confident0 Ų066.4 Ų66.40%035%0.345CS..Hα-helixtrans-60-38.7177.5-166.1171.6000111.8V93 L98 Q102 Q103 T108 D109 L110 W130 V131 V135 F138V93-I106 HydrophobicContact CG1-CD1 4.41Å; L98-I106 HydrophobicContact CD1-CD1 4.15Å; L98-I106 HydrophobicContact CD1-CG2 3.9Å; Q102-I106 WeakPolarHBondContact O-CG2 3.2Å; Q102-I106 PolarHBondContact O-N 3.26Å; Q103-I106 VanDerWaalsContact O-CG2 3.3Å; Q103-I106 WeakPolarHBondContact O-CG2 3.42Å; I106-T108 VanDerWaalsContact C-N 3.34Å; I106-D109 PolarHBondContact O-N 3.39Å; I106-L110 WeakPolarHBondContact O-CB 3.45Å; I106-L110 PolarHBondContact O-N 3.46Å; I106-W130 HydrophobicContact CG1-CH2 4.36Å; I106-W130 HydrophobicContact CG1-CZ3 3.85Å; I106-V131 HydrophobicContact CD1-CG1 4.4Å; I106-V135 HydrophobicContact CD1-CB 4.05Å; I106-V135 HydrophobicContact CD1-CG2 4.07Å; I106-F138 HydrophobicContact CB-CD1 4.33Å; I106-F138 HydrophobicContact CB-CD2 3.89Å; I106-F138 HydrophobicContact CB-CE1 4.43Å; I106-F138 HydrophobicContact CB-CE2 3.98Å; I106-F138 HydrophobicContact CB-CG 4.08Å; I106-F138 HydrophobicContact CB-CZ 4.26Å; I106-F138 HydrophobicContact CD1-CD2 3.69Å; I106-F138 HydrophobicContact CD1-CE2 4.2Å; I106-F138 HydrophobicContact CD1-CG 4.34Å; I106-F138 HydrophobicContact CG1-CD2 3.65Å; I106-F138 HydrophobicContact CG1-CE2 3.69Å; I106-F138 HydrophobicContact CG1-CG 4.32Å; I106-F138 HydrophobicContact CG1-CZ 4.39Å
107Q89.5Confident85.1Confident37 Ų3765.2 Ų65.217%0.17333%0.33CS..Hα-helixtrans-64.7-41.3176.7-17663.453.600111.6I91 Q103 T104 E105 N111I91-Q107 PolarHBondContact O-NE2 2.88Å; Q103-Q107 VanDerWaalsContact O-CB 3.29Å; Q103-Q107 WeakPolarHBondContact O-CB 3.46Å; Q103-Q107 PolarHBondContact O-N 2.91Å; T104-Q107 PolarHBondContact O-N 3.48Å; E105-Q107 VanDerWaalsContact C-N 3.28Å; E105-Q107 PolarHBondContact O-N 2.81Å; Q107-N111 PolarHBondContact NE2-ND2 3.42Å; Q107-N111 PolarHBondContact NE2-OD1 3.49Å; Q107-N111 WeakPolarHBondContact O-CB 3.28Å; Q107-N111 VanDerWaalsContact O-CG 3.32Å; Q107-N111 PolarHBondContact O-N 3Å; Q107-N111 VanDerWaalsContact O-N 3.1Å; Q107-N111 PolarHBondContact O-ND2 3.12Å
108T88.6Confident85.3Confident62 Ų6264.2 Ų64.238%0.3832%0.32SS..Hα-helixtrans-66.9-44.4179.5-59.30000110.8T104 E105 I106 N111 K112T104-T108 WeakPolarHBondContact O-CB 3.43Å; T104-T108 PolarHBondContact O-N 3.25Å; T104-T108 PolarHBondContact O-OG1 2.73Å; E105-T108 WeakPolarHBondContact O-CB 3.43Å; E105-T108 PolarHBondContact O-N 2.68Å; E105-T108 VanDerWaalsContact O-N 3.09Å; I106-T108 VanDerWaalsContact C-N 3.34Å; T108-N111 PolarHBondContact O-N 3.3Å; T108-K112 WeakPolarHBondContact O-CG 3.31Å; T108-K112 PolarHBondContact O-N 3.24Å
109D91.4Very high85.6Confident45 Ų4568.1 Ų68.124%0.24134%0.341CS..Hα-helixtrans-74.5-35.1-177.7-73-8.2000112.5E105 I106 K112 Y113 W130 F138E105-D109 PolarHBondContact O-N 2.99Å; I106-D109 PolarHBondContact O-N 3.39Å; D109-K112 PolarHBondContact O-N 3.49Å; D109-K112 IonicContact OD1-NZ 2.71Å; D109-K112 PolarHBondContact OD1-NZ 2.94Å; D109-Y113 WeakPolarHBondContact O-CB 3.33Å; D109-Y113 PolarHBondContact O-N 3.3Å; D109-W130 HydrophobicContact CB-CH2 3.71Å; D109-W130 HydrophobicContact CB-CZ2 3.98Å; D109-F138 HydrophobicContact CB-CZ 4.38Å
110L91.2Very high85.8Confident0 Ų067 Ų670%034%0.337CS..Hα-helixtrans-59.1-49169.8176.661.2000110.8I91 V93 I106 K112 Y113 L114 A127 W130 V131I91-L110 HydrophobicContact CG2-CD2 3.79Å; V93-L110 HydrophobicContact CG2-CD2 3.57Å; I106-L110 WeakPolarHBondContact O-CB 3.45Å; I106-L110 PolarHBondContact O-N 3.46Å; L110-K112 VanDerWaalsContact C-N 3.32Å; L110-K112 PolarHBondContact O-N 2.95Å; L110-Y113 HydrophobicContact CD1-CD1 4.48Å; L110-Y113 WeakPolarHBondContact O-CB 3.33Å; L110-Y113 PolarHBondContact O-N 3.32Å; L110-Y113 VanDerWaalsContact O-N 3.12Å; L110-L114 HydrophobicContact CD1-CD1 3.99Å; L110-L114 HydrophobicContact CD1-CD2 4.43Å; L110-L114 HydrophobicContact CD1-CG 4.01Å; L110-L114 HydrophobicContact CG-CD1 3.98Å; L110-L114 HydrophobicContact CG-CG 4.38Å; L110-L114 WeakPolarHBondContact O-CG 3.26Å; L110-L114 PolarHBondContact O-N 3.34Å; L110-A127 HydrophobicContact CD1-CB 4.05Å; L110-W130 HydrophobicContact CB-CE3 3.98Å; L110-W130 HydrophobicContact CB-CH2 4.3Å; L110-W130 HydrophobicContact CB-CZ3 3.69Å; L110-W130 HydrophobicContact CD1-CB 4.5Å; L110-W130 HydrophobicContact CD1-CD2 4.13Å; L110-W130 HydrophobicContact CD1-CE3 3.65Å; L110-W130 HydrophobicContact CD1-CG 4.5Å; L110-W130 HydrophobicContact CD1-CZ3 4.27Å; L110-W130 HydrophobicContact CG-CE3 4.38Å; L110-V131 HydrophobicContact CD1-CG2 4.23Å; L110-V131 HydrophobicContact CD2-CG2 3.97Å
111N90.1Very high86.2Confident63 Ų6361.8 Ų61.834%0.33733%0.325SS..Hα-helixtrans-60.5-41.5178.7-77.6-14.5000111.9Q107 T108 Y113 L114 M115Q107-N111 PolarHBondContact NE2-ND2 3.42Å; Q107-N111 PolarHBondContact NE2-OD1 3.49Å; Q107-N111 WeakPolarHBondContact O-CB 3.28Å; Q107-N111 VanDerWaalsContact O-CG 3.32Å; Q107-N111 PolarHBondContact O-N 3Å; Q107-N111 VanDerWaalsContact O-N 3.1Å; Q107-N111 PolarHBondContact O-ND2 3.12Å; T108-N111 PolarHBondContact O-N 3.3Å; N111-Y113 VanDerWaalsContact C-N 3.35Å; N111-Y113 PolarHBondContact O-N 2.81Å; N111-L114 PolarHBondContact O-N 2.86Å; N111-M115 WeakPolarHBondContact O-CB 3.46Å; N111-M115 VanDerWaalsContact O-CG 3.25Å; N111-M115 WeakPolarHBondContact O-CG 3.35Å; N111-M115 PolarHBondContact O-N 3.25Å
112K89.9Confident86.5Confident122 Ų12262.1 Ų62.153%0.5332%0.317SS..Hα-helixtrans-61.3-42.9174-71.5171.9-167.2153.40112.1T108 D109 L110 K116T108-K112 WeakPolarHBondContact O-CG 3.31Å; T108-K112 PolarHBondContact O-N 3.24Å; D109-K112 PolarHBondContact O-N 3.49Å; D109-K112 IonicContact OD1-NZ 2.71Å; D109-K112 PolarHBondContact OD1-NZ 2.94Å; L110-K112 VanDerWaalsContact C-N 3.32Å; L110-K112 PolarHBondContact O-N 2.95Å; K112-K116 WeakPolarHBondContact O-CB 3.27Å; K112-K116 PolarHBondContact O-N 3.15Å; K112-K116 VanDerWaalsContact O-N 3.11Å
113Y90.9Very high86.8Confident68 Ų6861.7 Ų61.727%0.26732%0.315SS..Hα-helixtrans-61-49177.8167.5-99.7000111.2D109 L110 N111 K116 N117 A126 W130D109-Y113 WeakPolarHBondContact O-CB 3.33Å; D109-Y113 PolarHBondContact O-N 3.3Å; L110-Y113 HydrophobicContact CD1-CD1 4.48Å; L110-Y113 WeakPolarHBondContact O-CB 3.33Å; L110-Y113 PolarHBondContact O-N 3.32Å; L110-Y113 VanDerWaalsContact O-N 3.12Å; N111-Y113 VanDerWaalsContact C-N 3.35Å; N111-Y113 PolarHBondContact O-N 2.81Å; Y113-K116 PolarHBondContact O-N 2.87Å; Y113-N117 WeakPolarHBondContact CD2-ND2 3.47Å; Y113-N117 HydrophobicContact CE2-CB 4.25Å; Y113-N117 WeakPolarHBondContact CE2-ND2 3.26Å; Y113-N117 WeakPolarHBondContact O-CB 3.33Å; Y113-N117 PolarHBondContact O-N 2.83Å; Y113-N117 PolarHBondContact O-ND2 2.89Å; Y113-A126 HydrophobicContact CE1-CB 4.47Å; Y113-W130 HydrophobicContact CD1-CB 3.98Å; Y113-W130 AromaticContact CD1-CD1 3.62Å; Y113-W130 HydrophobicContact CD1-CD2 4.41Å; Y113-W130 AromaticContact CD1-CG 3.72Å; Y113-W130 HydrophobicContact CD1-CG 3.72Å; Y113-W130 AromaticContact CD2-CD1 3.43Å; Y113-W130 VanDerWaalsContact CD2-CD1 3.43Å; Y113-W130 HydrophobicContact CD2-CG 4.33Å; Y113-W130 AromaticContact CD2-NE1 3.68Å; Y113-W130 HydrophobicContact CE1-CB 3.79Å; Y113-W130 AromaticContact CE1-CD1 3.85Å; Y113-W130 AromaticContact CE1-CG 3.96Å; Y113-W130 HydrophobicContact CE1-CG 3.96Å; Y113-W130 AromaticContact CE2-CD1 3.69Å; Y113-W130 AromaticContact CG-CD1 3.4Å; Y113-W130 HydrophobicContact CG-CD2 4.43Å; Y113-W130 AromaticContact CG-CG 3.92Å; Y113-W130 HydrophobicContact CG-CG 3.92Å; Y113-W130 AromaticContact CG-NE1 3.61Å; Y113-W130 AromaticContact CZ-CD1 3.89Å
114L86.9Confident87.2Confident0 Ų059.6 Ų59.60%031%0.306CS..Hα-helixtrans-64.7-43.8-179.7-64.7175.3000111.9L88 I91 L110 N111 K116 N117 C118 L119 C123 A127L88-L114 HydrophobicContact CD1-CB 3.81Å; L88-L114 HydrophobicContact CD2-CB 3.99Å; I91-L114 HydrophobicContact CD1-CD1 3.96Å; L110-L114 HydrophobicContact CD1-CD1 3.99Å; L110-L114 HydrophobicContact CD1-CD2 4.43Å; L110-L114 HydrophobicContact CD1-CG 4.01Å; L110-L114 HydrophobicContact CG-CD1 3.98Å; L110-L114 HydrophobicContact CG-CG 4.38Å; L110-L114 WeakPolarHBondContact O-CG 3.26Å; L110-L114 PolarHBondContact O-N 3.34Å; N111-L114 PolarHBondContact O-N 2.86Å; L114-K116 PolarHBondContact O-N 3.18Å; L114-N117 PolarHBondContact O-N 3.45Å; L114-C118 HydrophobicContact CD2-CB 4.36Å; L114-C118 CarbonylContact O-C 3.5Å; L114-C118 WeakPolarHBondContact O-CA 3.27Å; L114-C118 PolarHBondContact O-N 3.15Å; L114-L119 PolarHBondContact O-N 3.44Å; L114-C123 HydrophobicContact CD2-CB 4.08Å; L114-A127 HydrophobicContact CD1-CB 4.27Å; L114-A127 HydrophobicContact CD2-CB 3.98Å
115M88.4Confident87.4Confident126 Ų12657.7 Ų57.762%0.62129%0.292SS*.Hα-helixtrans-60.8-35.8177.4-75.2-176.476.300112.5L88 N111L88-M115 HydrophobicContact CD1-CB 4.22Å; L88-M115 HydrophobicContact CD1-CG 3.42Å; L88-M115 VanDerWaalsContact CD1-CG 3.42Å; N111-M115 WeakPolarHBondContact O-CB 3.46Å; N111-M115 VanDerWaalsContact O-CG 3.25Å; N111-M115 WeakPolarHBondContact O-CG 3.35Å; N111-M115 PolarHBondContact O-N 3.25Å
116K88.3Confident87.3Confident174 Ų17456.2 Ų56.276%0.75729%0.289SS*.Hα-helixtrans-81.1-38.7-177-176.9-179.5175.7-173.30112.8K112 Y113 L114K112-K116 WeakPolarHBondContact O-CB 3.27Å; K112-K116 PolarHBondContact O-N 3.15Å; K112-K116 VanDerWaalsContact O-N 3.11Å; Y113-K116 PolarHBondContact O-N 2.87Å; L114-K116 PolarHBondContact O-N 3.18Å
117N80.4Confident87.3Confident87 Ų8756.2 Ų56.247%0.46529%0.289SS..Hα-helixtrans-114.6-14.4-165.2-55-72.4000114.2Y113 L114Y113-N117 WeakPolarHBondContact CD2-ND2 3.47Å; Y113-N117 HydrophobicContact CE2-CB 4.25Å; Y113-N117 WeakPolarHBondContact CE2-ND2 3.26Å; Y113-N117 WeakPolarHBondContact O-CB 3.33Å; Y113-N117 PolarHBondContact O-N 2.83Å; Y113-N117 PolarHBondContact O-ND2 2.89Å; L114-N117 PolarHBondContact O-N 3.45Å
118C82Confident87.2Confident11 Ų1154.4 Ų54.47%0.07428%0.281CS..THydrogen-bonded Turntrans-135.23.9-168.9-46.40000114.3L114 G120 D121 C123L114-C118 HydrophobicContact CD2-CB 4.36Å; L114-C118 CarbonylContact O-C 3.5Å; L114-C118 WeakPolarHBondContact O-CA 3.27Å; L114-C118 PolarHBondContact O-N 3.15Å; C118-G120 PolarHBondContact O-N 3.23Å; C118-D121 PolarHBondContact O-N 3.36Å; C118-D121 VanDerWaalsContact O-N 3.11Å; C118-C123 HydrophobicContact CB-CB 3.3Å
119L83.8Confident87.1Confident101 Ų10154.6 Ų54.653%0.52928%0.28SS..THydrogen-bonded Turntrans-64.6124176.8-176.570.5000110L88 L114L88-L119 HydrophobicContact CD2-CD1 4.32Å; L88-L119 HydrophobicContact CG-CD1 4.11Å; L114-L119 PolarHBondContact O-N 3.44Å
120G81.9Confident87.1Confident24 Ų2454 Ų5425%0.24727%0.274CS..THydrogen-bonded Turntrans95.6-9.6-176.400000114.2P85 C118P85-G120 CarbonylContact O-C 3.49Å; P85-G120 WeakPolarHBondContact O-CA 3.29Å; P85-G120 PolarHBondContact O-N 2.87Å; C118-G120 PolarHBondContact O-N 3.23Å
121D85.1Confident87.1Confident109 Ų10954 Ų5458%0.58327%0.274SS*.SBendtrans-123.9164.1-177.5-71.3-42.4000112.2P85 C118 C123P85-D121 WeakPolarHBondContact CB-O 3.35Å; C118-D121 PolarHBondContact O-N 3.36Å; C118-D121 VanDerWaalsContact O-N 3.11Å; D121-C123 PolarHBondContact O-N 3.17Å
122L83.6Confident87Confident77 Ų7754 Ų5440%0.40327%0.271SS..  trans-69.3122.3174.4-62.1176.8000110E13 Y84 P85E13-L122 HydrophobicContact CB-CD1 4Å; E13-L122 HydrophobicContact CB-CD2 3.99Å; E13-L122 HydrophobicContact CB-CG 4.43Å; E13-L122 HydrophobicContact CG-CB 4.32Å; E13-L122 HydrophobicContact CG-CD1 4.42Å; E13-L122 HydrophobicContact CG-CD2 4.4Å; Y84-L122 HydrophobicContact CE1-CD2 4Å; Y84-L122 WeakPolarHBondContact OH-CA 3.43Å; P85-L122 HydrophobicContact CB-CD2 4.32Å; P85-L122 HydrophobicContact CG-CD2 4.3Å
123C88.4Confident86.8Confident0 Ų055.3 Ų55.30%028%0.279CS..  trans-1311.4-162.678.80000115.4E13 Y84 P89 L114 C118 D121 A126 A127E13-C123 PolarHBondContact OE1-N 2.89Å; Y84-C123 PolarHBondContact OH-N 3.32Å; P89-C123 WeakPolarHBondContact CD-SG 3.47Å; P89-C123 VanDerWaalsContact CG-SG 3.55Å; L114-C123 HydrophobicContact CD2-CB 4.08Å; C118-C123 HydrophobicContact CB-CB 3.3Å; D121-C123 PolarHBondContact O-N 3.17Å; C123-A126 PolarHBondContact O-N 2.88Å; C123-A127 WeakPolarHBondContact O-CB 3.44Å; C123-A127 PolarHBondContact O-N 3.24Å
124V90.6Very high86.6Confident0 Ų054.3 Ų54.30%028%0.279CS..Hα-helixtrans-68.2-43-174.9179.20000111.2E13 L17 F58 I60 Y80 P89 A127 V128E13-V124 WeakPolarHBondContact OE1-CB 3.31Å; E13-V124 WeakPolarHBondContact OE1-CG2 3.47Å; E13-V124 PolarHBondContact OE1-N 3Å; L17-V124 HydrophobicContact CD1-CB 3.92Å; L17-V124 HydrophobicContact CD1-CG1 3.66Å; L17-V124 HydrophobicContact CD1-CG2 4.46Å; L17-V124 HydrophobicContact CD2-CB 4.5Å; L17-V124 HydrophobicContact CD2-CG1 4.16Å; F58-V124 HydrophobicContact CE2-CG1 3.99Å; F58-V124 HydrophobicContact CZ-CG1 4.1Å; F58-V124 HydrophobicContact CZ-CG2 4.33Å; I60-V124 HydrophobicContact CD1-CG1 4.01Å; Y80-V124 HydrophobicContact CE1-CG2 3.7Å; P89-V124 HydrophobicContact CG-CG2 4.43Å; V124-A127 WeakPolarHBondContact O-CB 3.49Å; V124-A127 PolarHBondContact O-N 2.93Å; V124-V128 WeakPolarHBondContact O-CG2 3.31Å; V124-V128 PolarHBondContact O-N 2.79Å
125L87Confident86.5Confident47 Ų4754.3 Ų54.325%0.24628%0.279CS..Hα-helixtrans-63.5-43.9175.7-177.265.7000111.2L17 M20 F21 A127 V128 D129L17-L125 HydrophobicContact CD2-CB 4.46Å; M20-L125 HydrophobicContact CE-CD1 3.49Å; M20-L125 VanDerWaalsContact CE-CD1 3.49Å; M20-L125 HydrophobicContact CE-CD2 3.64Å; M20-L125 HydrophobicContact CE-CG 4.22Å; M20-L125 HydrophobicContact SD-CD1 4.03Å; M20-L125 HydrophobicContact SD-CD2 3.78Å; M20-L125 HydrophobicContact SD-CG 4.5Å; F21-L125 HydrophobicContact CZ-CD1 4.43Å; L125-A127 PolarHBondContact O-N 2.89Å; L125-V128 WeakPolarHBondContact O-CB 3.48Å; L125-V128 PolarHBondContact O-N 3.47Å; L125-D129 PolarHBondContact O-N 3Å
126A85.9Confident86.3Confident27 Ų2749.7 Ų49.722%0.22326%0.257CS..Hα-helixtrans-60-35.5175.400000112.1Y113 C123 W130Y113-A126 HydrophobicContact CE1-CB 4.47Å; C123-A126 PolarHBondContact O-N 2.88Å; A126-W130 VanDerWaalsContact O-CB 3.25Å; A126-W130 WeakPolarHBondContact O-CB 3.4Å; A126-W130 PolarHBondContact O-N 3.47Å
127A89.9Confident86.2Confident0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-66.2-44.5172.700000111.6L76 I91 L110 L114 C123 V124 L125 W130 V131L76-A127 HydrophobicContact CD1-CB 4.12Å; I91-A127 HydrophobicContact CD1-CB 3.51Å; L110-A127 HydrophobicContact CD1-CB 4.05Å; L114-A127 HydrophobicContact CD1-CB 4.27Å; L114-A127 HydrophobicContact CD2-CB 3.98Å; C123-A127 WeakPolarHBondContact O-CB 3.44Å; C123-A127 PolarHBondContact O-N 3.24Å; V124-A127 WeakPolarHBondContact O-CB 3.49Å; V124-A127 PolarHBondContact O-N 2.93Å; L125-A127 PolarHBondContact O-N 2.89Å; A127-W130 PolarHBondContact O-N 3.23Å; A127-V131 WeakPolarHBondContact O-CB 3.2Å; A127-V131 WeakPolarHBondContact O-CG2 3.45Å; A127-V131 PolarHBondContact O-N 2.81Å
128V87.8Confident86.3Confident0 Ų043.2 Ų43.20%023%0.227CC..Hα-helixtrans-59.2-47.8176.3171.80000110.6F21 I60 L76 V124 L125 V131 K132F21-V128 HydrophobicContact CZ-CG1 4.1Å; I60-V128 HydrophobicContact CD1-CG2 3.79Å; I60-V128 HydrophobicContact CG2-CG2 4.38Å; L76-V128 HydrophobicContact CD1-CG2 3.93Å; V124-V128 WeakPolarHBondContact O-CG2 3.31Å; V124-V128 PolarHBondContact O-N 2.79Å; L125-V128 WeakPolarHBondContact O-CB 3.48Å; L125-V128 PolarHBondContact O-N 3.47Å; V128-V131 PolarHBondContact O-N 2.86Å; V128-K132 HydrophobicContact CG1-CD 4.06Å; V128-K132 HydrophobicContact CG1-CG 4.44Å; V128-K132 WeakPolarHBondContact O-CG 3.47Å; V128-K132 PolarHBondContact O-N 3.4Å
129D85.6Confident86.2Confident66 Ų6642.8 Ų42.835%0.35322%0.224SC..Hα-helixtrans-66.4-44.5-178.7-68.5-24000111.6L125 V131 K132 E133L125-D129 PolarHBondContact O-N 3Å; D129-V131 VanDerWaalsContact C-N 3.3Å; D129-V131 PolarHBondContact O-N 2.87Å; D129-K132 WeakPolarHBondContact O-CB 3.3Å; D129-K132 PolarHBondContact O-N 3.44Å; D129-K132 VanDerWaalsContact O-N 3.17Å; D129-E133 WeakPolarHBondContact O-CG 3.49Å; D129-E133 PolarHBondContact O-N 3.05Å
130W92.4Very high86.1Confident31 Ų3143.1 Ų43.112%0.11722%0.221CC..Hα-helixtrans-58.6-43.6174.8-173.192.5000111.5I106 D109 L110 Y113 A126 A127 E133 N134 F138I106-W130 HydrophobicContact CG1-CH2 4.36Å; I106-W130 HydrophobicContact CG1-CZ3 3.85Å; D109-W130 HydrophobicContact CB-CH2 3.71Å; D109-W130 HydrophobicContact CB-CZ2 3.98Å; L110-W130 HydrophobicContact CB-CE3 3.98Å; L110-W130 HydrophobicContact CB-CH2 4.3Å; L110-W130 HydrophobicContact CB-CZ3 3.69Å; L110-W130 HydrophobicContact CD1-CB 4.5Å; L110-W130 HydrophobicContact CD1-CD2 4.13Å; L110-W130 HydrophobicContact CD1-CE3 3.65Å; L110-W130 HydrophobicContact CD1-CG 4.5Å; L110-W130 HydrophobicContact CD1-CZ3 4.27Å; L110-W130 HydrophobicContact CG-CE3 4.38Å; Y113-W130 HydrophobicContact CD1-CB 3.98Å; Y113-W130 AromaticContact CD1-CD1 3.62Å; Y113-W130 HydrophobicContact CD1-CD2 4.41Å; Y113-W130 AromaticContact CD1-CG 3.72Å; Y113-W130 HydrophobicContact CD1-CG 3.72Å; Y113-W130 AromaticContact CD2-CD1 3.43Å; Y113-W130 VanDerWaalsContact CD2-CD1 3.43Å; Y113-W130 HydrophobicContact CD2-CG 4.33Å; Y113-W130 AromaticContact CD2-NE1 3.68Å; Y113-W130 HydrophobicContact CE1-CB 3.79Å; Y113-W130 AromaticContact CE1-CD1 3.85Å; Y113-W130 AromaticContact CE1-CG 3.96Å; Y113-W130 HydrophobicContact CE1-CG 3.96Å; Y113-W130 AromaticContact CE2-CD1 3.69Å; Y113-W130 AromaticContact CG-CD1 3.4Å; Y113-W130 HydrophobicContact CG-CD2 4.43Å; Y113-W130 AromaticContact CG-CG 3.92Å; Y113-W130 HydrophobicContact CG-CG 3.92Å; Y113-W130 AromaticContact CG-NE1 3.61Å; Y113-W130 AromaticContact CZ-CD1 3.89Å; A126-W130 VanDerWaalsContact O-CB 3.25Å; A126-W130 WeakPolarHBondContact O-CB 3.4Å; A126-W130 PolarHBondContact O-N 3.47Å; A127-W130 PolarHBondContact O-N 3.23Å; W130-E133 PolarHBondContact O-N 3.42Å; W130-N134 HydrophobicContact CD2-CB 4.45Å; W130-N134 HydrophobicContact CE3-CB 4.35Å; W130-N134 HydrophobicContact CH2-CB 4.15Å; W130-N134 HydrophobicContact CZ2-CB 4.24Å; W130-N134 HydrophobicContact CZ3-CB 4.21Å; W130-N134 PolarHBondContact NE1-ND2 3.22Å; W130-N134 WeakPolarHBondContact O-CB 3.5Å; W130-N134 PolarHBondContact O-N 3.29Å; W130-N134 PolarHBondContact O-ND2 2.95Å; W130-F138 AromaticContact CH2-CE2 3.96Å; W130-F138 HydrophobicContact CH2-CE2 3.96Å; W130-F138 HydrophobicContact CH2-CZ 4.34Å; W130-F138 HydrophobicContact CZ3-CE2 4.46Å
131V90.3Very high85.8Confident0 Ų045.3 Ų45.30%022%0.223CC..Hα-helixtrans-64.7-45176.9174.70000110.5F74 L76 V93 I106 L110 A127 V128 D129 E133 N134 V135F74-V131 HydrophobicContact CD1-CG1 4.29Å; F74-V131 HydrophobicContact CD2-CG1 3.59Å; F74-V131 HydrophobicContact CE1-CG1 4.18Å; F74-V131 HydrophobicContact CE2-CB 4.06Å; F74-V131 HydrophobicContact CE2-CG1 3.49Å; F74-V131 VanDerWaalsContact CE2-CG1 3.49Å; F74-V131 HydrophobicContact CG-CG1 4Å; F74-V131 HydrophobicContact CZ-CB 4.22Å; F74-V131 HydrophobicContact CZ-CG1 3.79Å; L76-V131 HydrophobicContact CD1-CG2 4.41Å; V93-V131 HydrophobicContact CG1-CG1 3.89Å; V93-V131 HydrophobicContact CG2-CG1 4.4Å; V93-V131 HydrophobicContact CG2-CG2 3.61Å; I106-V131 HydrophobicContact CD1-CG1 4.4Å; L110-V131 HydrophobicContact CD1-CG2 4.23Å; L110-V131 HydrophobicContact CD2-CG2 3.97Å; A127-V131 WeakPolarHBondContact O-CB 3.2Å; A127-V131 WeakPolarHBondContact O-CG2 3.45Å; A127-V131 PolarHBondContact O-N 2.81Å; V128-V131 PolarHBondContact O-N 2.86Å; D129-V131 VanDerWaalsContact C-N 3.3Å; D129-V131 PolarHBondContact O-N 2.87Å; V131-E133 VanDerWaalsContact C-N 3.28Å; V131-E133 PolarHBondContact O-N 3.47Å; V131-N134 PolarHBondContact O-N 3.17Å; V131-V135 HydrophobicContact CG1-CB 4.16Å; V131-V135 WeakPolarHBondContact O-CB 3.3Å; V131-V135 WeakPolarHBondContact O-CG1 3.35Å; V131-V135 PolarHBondContact O-N 3.32Å
132K87.1Confident85.1Confident65 Ų6540.8 Ų40.828%0.28320%0.2SC..Hα-helixtrans-53.7-45.3176-76.2170.4175171.70112Q62 F74 V128 D129Q62-K132 HydrophobicContact CG-CD 4.31Å; Q62-K132 HydrophobicContact CG-CG 4.12Å; F74-K132 HydrophobicContact CE1-CG 3.82Å; F74-K132 HydrophobicContact CZ-CG 3.76Å; V128-K132 HydrophobicContact CG1-CD 4.06Å; V128-K132 HydrophobicContact CG1-CG 4.44Å; V128-K132 WeakPolarHBondContact O-CG 3.47Å; V128-K132 PolarHBondContact O-N 3.4Å; D129-K132 WeakPolarHBondContact O-CB 3.3Å; D129-K132 PolarHBondContact O-N 3.44Å; D129-K132 VanDerWaalsContact O-N 3.17Å
133E86Confident84.3Confident149 Ų14942.2 Ų42.270%0.69621%0.208SC*.Hα-helixtrans-70.7-37.6-178-70.4177.9172.500113D129 W130 V131D129-E133 WeakPolarHBondContact O-CG 3.49Å; D129-E133 PolarHBondContact O-N 3.05Å; W130-E133 PolarHBondContact O-N 3.42Å; V131-E133 VanDerWaalsContact C-N 3.28Å; V131-E133 PolarHBondContact O-N 3.47Å
134N87.1Confident82.9Confident47 Ų4746.7 Ų46.725%0.25124%0.239SC..Hα-helixtrans-100.1-25.5-169.4-67.8-86.1000113.6W130 V131 V136 H137 F138W130-N134 HydrophobicContact CD2-CB 4.45Å; W130-N134 HydrophobicContact CE3-CB 4.35Å; W130-N134 HydrophobicContact CH2-CB 4.15Å; W130-N134 HydrophobicContact CZ2-CB 4.24Å; W130-N134 HydrophobicContact CZ3-CB 4.21Å; W130-N134 PolarHBondContact NE1-ND2 3.22Å; W130-N134 WeakPolarHBondContact O-CB 3.5Å; W130-N134 PolarHBondContact O-N 3.29Å; W130-N134 PolarHBondContact O-ND2 2.95Å; V131-N134 PolarHBondContact O-N 3.17Å; N134-V136 VanDerWaalsContact C-N 3.27Å; N134-V136 PolarHBondContact O-N 3.4Å; N134-H137 WeakPolarHBondContact O-CA 3.42Å; N134-H137 VanDerWaalsContact O-CB 3.31Å; N134-H137 WeakPolarHBondContact O-CB 3.46Å; N134-H137 PolarHBondContact O-N 3.32Å; N134-F138 HydrophobicContact CB-CD2 4.24Å; N134-F138 HydrophobicContact CB-CE2 3.88Å; N134-F138 WeakPolarHBondContact O-CD2 3.27Å; N134-F138 PolarHBondContact O-N 3.27Å; N134-F138 VanDerWaalsContact O-N 3.16Å
135V84.9Confident80.8Confident0 Ų050.7 Ų50.70%026%0.264CS..Hα-helixtrans-60-36.6-174.968.30000112.3L64 F74 C95 L98 I106 V131 H137 F138 I139L64-V135 HydrophobicContact CD1-CG1 3.69Å; L64-V135 HydrophobicContact CD1-CG2 4.38Å; L64-V135 HydrophobicContact CD2-CG1 3.41Å; L64-V135 VanDerWaalsContact CD2-CG1 3.41Å; L64-V135 HydrophobicContact CG-CG1 4.19Å; F74-V135 HydrophobicContact CD1-CG1 4.35Å; C95-V135 HydrophobicContact CB-CG2 4.44Å; L98-V135 HydrophobicContact CD1-CG2 4.33Å; I106-V135 HydrophobicContact CD1-CB 4.05Å; I106-V135 HydrophobicContact CD1-CG2 4.07Å; V131-V135 HydrophobicContact CG1-CB 4.16Å; V131-V135 WeakPolarHBondContact O-CB 3.3Å; V131-V135 WeakPolarHBondContact O-CG1 3.35Å; V131-V135 PolarHBondContact O-N 3.32Å; V135-H137 VanDerWaalsContact C-N 3.26Å; V135-H137 PolarHBondContact O-N 3.46Å; V135-F138 PolarHBondContact O-N 3.24Å; V135-I139 HydrophobicContact CG2-CD1 3.99Å; V135-I139 HydrophobicContact CG2-CG1 4.29Å; V135-I139 VanDerWaalsContact O-CG1 3.23Å; V135-I139 WeakPolarHBondContact O-CG1 3.36Å; V135-I139 PolarHBondContact O-N 3.23Å
136V84.8Confident78.7Confident29 Ų2950.6 Ų50.618%0.17627%0.27CS..Hα-helixtrans-62.8-35.2176.2-178.60000111.2N134 I139 K140N134-V136 VanDerWaalsContact C-N 3.27Å; N134-V136 PolarHBondContact O-N 3.4Å; V136-I139 PolarHBondContact O-N 3.47Å; V136-K140 HydrophobicContact CG1-CD 4.25Å; V136-K140 WeakPolarHBondContact O-CB 3.14Å; V136-K140 VanDerWaalsContact O-CG 3.29Å; V136-K140 WeakPolarHBondContact O-CG 3.32Å; V136-K140 PolarHBondContact O-N 3.45Å
137H85.6Confident76.4Confident117 Ų11755.3 Ų55.354%0.54230%0.298SS..Hα-helixtrans-66.9-46175-176.871.7000111.1N134 V135 I139 K140 K141N134-H137 WeakPolarHBondContact O-CA 3.42Å; N134-H137 VanDerWaalsContact O-CB 3.31Å; N134-H137 WeakPolarHBondContact O-CB 3.46Å; N134-H137 PolarHBondContact O-N 3.32Å; V135-H137 VanDerWaalsContact C-N 3.26Å; V135-H137 PolarHBondContact O-N 3.46Å; H137-I139 VanDerWaalsContact C-N 3.31Å; H137-I139 PolarHBondContact O-N 2.76Å; H137-K140 PolarHBondContact O-N 3.36Å; H137-K141 VanDerWaalsContact O-CB 3.26Å; H137-K141 WeakPolarHBondContact O-CB 3.36Å; H137-K141 PolarHBondContact O-N 3.3Å
138F82.9Confident73.8Confident8 Ų858.3 Ų58.34%0.03532%0.322CS..Hα-helixtrans-63.7-35.3175.8-68.5-73.6000112.3L98 Q102 E105 I106 D109 W130 N134 V135 S142L98-F138 HydrophobicContact CD2-CB 3.65Å; Q102-F138 PolarHBondContact OE1-O 3.1Å; E105-F138 HydrophobicContact CB-CD1 4.49Å; E105-F138 HydrophobicContact CB-CE1 4.17Å; E105-F138 HydrophobicContact CG-CD1 4.49Å; E105-F138 HydrophobicContact CG-CE1 3.82Å; I106-F138 HydrophobicContact CB-CD1 4.33Å; I106-F138 HydrophobicContact CB-CD2 3.89Å; I106-F138 HydrophobicContact CB-CE1 4.43Å; I106-F138 HydrophobicContact CB-CE2 3.98Å; I106-F138 HydrophobicContact CB-CG 4.08Å; I106-F138 HydrophobicContact CB-CZ 4.26Å; I106-F138 HydrophobicContact CD1-CD2 3.69Å; I106-F138 HydrophobicContact CD1-CE2 4.2Å; I106-F138 HydrophobicContact CD1-CG 4.34Å; I106-F138 HydrophobicContact CG1-CD2 3.65Å; I106-F138 HydrophobicContact CG1-CE2 3.69Å; I106-F138 HydrophobicContact CG1-CG 4.32Å; I106-F138 HydrophobicContact CG1-CZ 4.39Å; D109-F138 HydrophobicContact CB-CZ 4.38Å; W130-F138 AromaticContact CH2-CE2 3.96Å; W130-F138 HydrophobicContact CH2-CE2 3.96Å; W130-F138 HydrophobicContact CH2-CZ 4.34Å; W130-F138 HydrophobicContact CZ3-CE2 4.46Å; N134-F138 HydrophobicContact CB-CD2 4.24Å; N134-F138 HydrophobicContact CB-CE2 3.88Å; N134-F138 WeakPolarHBondContact O-CD2 3.27Å; N134-F138 PolarHBondContact O-N 3.27Å; N134-F138 VanDerWaalsContact O-N 3.16Å; V135-F138 PolarHBondContact O-N 3.24Å; F138-S142 WeakPolarHBondContact O-CB 3.44Å; F138-S142 PolarHBondContact O-N 3.47Å
139I80.1Confident71.5Confident2 Ų263.9 Ų63.91%0.0136%0.359CS..Hα-helixtrans-68.6-47.2174-60.8162.3000110.3L64 M69 T72 A97 L98 V135 V136 H137 K141 S142 L143L64-I139 HydrophobicContact CD1-CD1 3.77Å; M69-I139 HydrophobicContact CE-CB 4.05Å; M69-I139 HydrophobicContact CE-CG2 3.43Å; M69-I139 VanDerWaalsContact CE-CG2 3.43Å; M69-I139 HydrophobicContact SD-CB 4.18Å; M69-I139 HydrophobicContact SD-CD1 4.26Å; M69-I139 HydrophobicContact SD-CG2 3.56Å; M69-I139 VanDerWaalsContact SD-CG2 3.56Å; T72-I139 HydrophobicContact CG2-CD1 4.26Å; A97-I139 HydrophobicContact CB-CD1 4.05Å; A97-I139 HydrophobicContact CB-CG1 3.96Å; A97-I139 HydrophobicContact CB-CG2 3.87Å; L98-I139 HydrophobicContact CD2-CB 4.37Å; L98-I139 HydrophobicContact CD2-CG1 3.61Å; L98-I139 HydrophobicContact CG-CG1 4.28Å; V135-I139 HydrophobicContact CG2-CD1 3.99Å; V135-I139 HydrophobicContact CG2-CG1 4.29Å; V135-I139 VanDerWaalsContact O-CG1 3.23Å; V135-I139 WeakPolarHBondContact O-CG1 3.36Å; V135-I139 PolarHBondContact O-N 3.23Å; V136-I139 PolarHBondContact O-N 3.47Å; H137-I139 VanDerWaalsContact C-N 3.31Å; H137-I139 PolarHBondContact O-N 2.76Å; I139-K141 VanDerWaalsContact C-N 3.28Å; I139-K141 PolarHBondContact O-N 3.04Å; I139-S142 CarbonylContact O-C 3.45Å; I139-S142 WeakPolarHBondContact O-CA 3.36Å; I139-S142 VanDerWaalsContact O-CB 3.3Å; I139-S142 WeakPolarHBondContact O-CB 3.42Å; I139-S142 PolarHBondContact O-N 2.77Å; I139-L143 HydrophobicContact CG2-CD1 4.06Å; I139-L143 HydrophobicContact CG2-CG 4.36Å; I139-L143 WeakPolarHBondContact O-CG 3.11Å; I139-L143 PolarHBondContact O-N 2.91Å
140K80.9Confident68.9Low107 Ų10768.2 Ų68.247%0.46537%0.374SS..Hα-helixtrans-59.2-40.5175.2-75.8174.5-179.5176.10111.8M69 V136 H137 L143 S144M69-K140 HydrophobicContact CE-CG 4.13Å; V136-K140 HydrophobicContact CG1-CD 4.25Å; V136-K140 WeakPolarHBondContact O-CB 3.14Å; V136-K140 VanDerWaalsContact O-CG 3.29Å; V136-K140 WeakPolarHBondContact O-CG 3.32Å; V136-K140 PolarHBondContact O-N 3.45Å; H137-K140 PolarHBondContact O-N 3.36Å; K140-L143 PolarHBondContact O-N 3.13Å; K140-S144 WeakPolarHBondContact O-CB 3.43Å; K140-S144 PolarHBondContact O-N 2.85Å; K140-S144 PolarHBondContact O-OG 3.1Å
141K76.8Confident66.5Low70 Ų7075.4 Ų75.430%0.30441%0.414SS..Hα-helixtrans-65.2-42.3173.5-173.4175.9176.9-172.20110.4E105 H137 I139 L143 S144 T145E105-K141 IonicContact OE1-NZ 3.24Å; E105-K141 PolarHBondContact OE1-NZ 2.76Å; E105-K141 IonicContact OE2-NZ 3.33Å; E105-K141 PolarHBondContact OE2-NZ 2.98Å; H137-K141 VanDerWaalsContact O-CB 3.26Å; H137-K141 WeakPolarHBondContact O-CB 3.36Å; H137-K141 PolarHBondContact O-N 3.3Å; I139-K141 VanDerWaalsContact C-N 3.28Å; I139-K141 PolarHBondContact O-N 3.04Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 3.28Å; K141-S144 CarbonylContact O-C 3.52Å; K141-S144 PolarHBondContact O-N 3.4Å; K141-S144 VanDerWaalsContact O-N 3.12Å; K141-T145 WeakPolarHBondContact O-CB 3.34Å; K141-T145 PolarHBondContact O-N 3.48Å; K141-T145 PolarHBondContact O-OG1 2.77Å
142S69.6Low63.9Low14 Ų1481.2 Ų81.210%0.09844%0.441CS..Hα-helixtrans-61.3-35.5173.5-1630000112.4S99 F138 I139 T145 A146S99-S142 PolarHBondContact N-OG 2.94Å; F138-S142 WeakPolarHBondContact O-CB 3.44Å; F138-S142 PolarHBondContact O-N 3.47Å; I139-S142 CarbonylContact O-C 3.45Å; I139-S142 WeakPolarHBondContact O-CA 3.36Å; I139-S142 VanDerWaalsContact O-CB 3.3Å; I139-S142 WeakPolarHBondContact O-CB 3.42Å; I139-S142 PolarHBondContact O-N 2.77Å; S142-T145 WeakPolarHBondContact CA-OG1 3.17Å; S142-A146 VanDerWaalsContact O-CB 3.29Å; S142-A146 WeakPolarHBondContact O-CB 3.36Å; S142-A146 PolarHBondContact O-N 3.09Å
143L66.4Low61.5Low108 Ų10883.5 Ų83.557%0.56547%0.466SS*.Hα-helixtrans-77.2-26.4174.7-68.4169000112.5M69 I139 K140 K141M69-L143 HydrophobicContact CE-CD1 3.55Å; I139-L143 HydrophobicContact CG2-CD1 4.06Å; I139-L143 HydrophobicContact CG2-CG 4.36Å; I139-L143 WeakPolarHBondContact O-CG 3.11Å; I139-L143 PolarHBondContact O-N 2.91Å; K140-L143 PolarHBondContact O-N 3.13Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 3.28Å
144S60.1Low59.5Low93 Ų9381.3 Ų81.365%0.6547%0.473SS*.Hα-helixtrans-86.4-21.3174.3-53.80000113K140 K141 A146K140-S144 WeakPolarHBondContact O-CB 3.43Å; K140-S144 PolarHBondContact O-N 2.85Å; K140-S144 PolarHBondContact O-OG 3.1Å; K141-S144 CarbonylContact O-C 3.52Å; K141-S144 PolarHBondContact O-N 3.4Å; K141-S144 VanDerWaalsContact O-N 3.12Å; S144-A146 CarbonylContact C-O 3.47Å
145T46.8Very low57.4Low85 Ų8583.7 Ų83.752%0.52149%0.493SS..Hα-helixtrans-101.7-13.5174.344.10000112.9K141 S142K141-T145 WeakPolarHBondContact O-CB 3.34Å; K141-T145 PolarHBondContact O-N 3.48Å; K141-T145 PolarHBondContact O-OG1 2.77Å; S142-T145 WeakPolarHBondContact CA-OG1 3.17Å
146A41.4Very low55.2Low45 Ų4590.1 Ų90.137%0.37252%0.523SS..SBendtrans-53.9132.6145.800000105.7S142 S144 A148S142-A146 VanDerWaalsContact O-CB 3.29Å; S142-A146 WeakPolarHBondContact O-CB 3.36Å; S142-A146 PolarHBondContact O-N 3.09Å; S144-A146 CarbonylContact C-O 3.47Å; A146-A148 VanDerWaalsContact C-N 3.29Å; A146-A148 PolarHBondContact O-N 2.8Å
147P37.7Very low53.2Low126 Ų12692.4 Ų92.482%0.81854%0.539SS*.  trans-59.5100.2177.724.3-30.7000107.5
148A35.9Very low51.7Low62 Ų6292.6 Ų92.651%0.51255%0.55SS.*  trans-55.1138.8155.200000105.6A146 K150A146-A148 VanDerWaalsContact C-N 3.29Å; A146-A148 PolarHBondContact O-N 2.8Å; A148-K150 PolarHBondContact O-N 3.11Å
149P38.5Very low50.6Low118 Ų11899.9 Ų99.977%0.76658%0.578SS**  trans-51116.3170.622.7-31000105.8L151P149-L151 PolarHBondContact O-N 2.81Å
150K32.5Very low50.4Low156 Ų156105.6 Ų105.668%0.67860%0.604SS**  trans-48.4111.5176.8-74.1169.6159.7-158.60107A148 E152A148-K150 PolarHBondContact O-N 3.11Å; K150-E152 HydrophobicContact CB-CB 4.13Å; K150-E152 HydrophobicContact CB-CG 4.04Å; K150-E152 HydrophobicContact CD-CG 4.15Å; K150-E152 WeakPolarHBondContact CD-OE1 3.48Å; K150-E152 WeakPolarHBondContact CE-OE1 3.11Å; K150-E152 HydrophobicContact CG-CG 4.45Å; K150-E152 IonicContact NZ-OE1 3.43Å; K150-E152 PolarHBondContact NZ-OE1 3.43Å; K150-E152 IonicContact NZ-OE2 2.68Å; K150-E152 PolarHBondContact O-N 2.83Å
151L40.5Very low50.5Low182 Ų182101.9 Ų101.995%0.95359%0.59SS**  trans-69.762.2142.8-97.8132.4000106P149P149-L151 PolarHBondContact O-N 2.81Å
152E36.3Very low51Low122 Ų12298.6 Ų98.657%0.5758%0.576SS**  trans-66.2129.5147.9-90.5173.2-171.800104.4K150 A154K150-E152 HydrophobicContact CB-CB 4.13Å; K150-E152 HydrophobicContact CB-CG 4.04Å; K150-E152 HydrophobicContact CD-CG 4.15Å; K150-E152 WeakPolarHBondContact CD-OE1 3.48Å; K150-E152 WeakPolarHBondContact CE-OE1 3.11Å; K150-E152 HydrophobicContact CG-CG 4.45Å; K150-E152 IonicContact NZ-OE1 3.43Å; K150-E152 PolarHBondContact NZ-OE1 3.43Å; K150-E152 IonicContact NZ-OE2 2.68Å; K150-E152 PolarHBondContact O-N 2.83Å; E152-A154 PolarHBondContact O-N 2.99Å
153S36.2Very low51.9Low114 Ų11497.9 Ų97.980%0.79757%0.572SS**SBendtrans-15.9112.4153-640000111.4S155S153-S155 PolarHBondContact O-N 3.41Å
154A43.9Very low53.1Low102 Ų10292.9 Ų92.984%0.84355%0.545SS*.SBendtrans9.482.6156.200000115.5E152E152-A154 PolarHBondContact O-N 2.99Å
155S43Very low54.4Low98 Ų9888.5 Ų88.569%0.68551%0.514SS*.  trans163104.9141.554.80000110.3S153S153-S155 PolarHBondContact O-N 3.41Å
156Q38.7Very low56.5Low134 Ų13484.4 Ų84.463%0.62649%0.489SS*.  trans146.9132.5141.8-66.7-108.6-3200110.3
157P44.3Very low58.8Low78 Ų7882.3 Ų82.351%0.50647%0.472SS..PPolyproline II helixtrans-68.1156.1-179.227.6-33.5000112.7R159P157-R159 PolarHBondContact O-N 3.22Å
158P52.9Low61.3Low120 Ų12078.2 Ų78.278%0.77944%0.44SS*.PPolyproline II helixtrans-57131.2179.122.9-32.1000110.8E160P158-E160 PolarHBondContact O-N 2.92Å
159R61Low63.8Low161 Ų16175.3 Ų75.361%0.60842%0.416SS*.PPolyproline II helixtrans-73116.9175.2-67.7-177.7-175.4171.7-1108.5P157 V161P157-R159 PolarHBondContact O-N 3.22Å; R159-V161 PolarHBondContact O-N 3.38Å
160E75.1Confident66Low122 Ų12272.1 Ų72.157%0.5739%0.391SS*.PPolyproline II helixtrans-69.6127.9171.1-72.7179173.500109.1P158 L236P158-E160 PolarHBondContact O-N 2.92Å; E160-L236 HydrophobicContact CB-CD1 3.99Å; E160-L236 WeakPolarHBondContact O-CB 3.23Å; E160-L236 PolarHBondContact O-N 2.73Å
161V83.4Confident68.6Low29 Ų2967.1 Ų67.118%0.17637%0.37CS..EExtended strand (participates in β ladder)trans-110.2123.3177.2-176.40000108.3R159 Q208 D233 I234 T235R159-V161 PolarHBondContact O-N 3.38Å; V161-Q208 HydrophobicContact CB-CB 4.03Å; V161-Q208 HydrophobicContact CG1-CB 4.15Å; V161-Q208 HydrophobicContact CG1-CG 4.47Å; V161-Q208 WeakPolarHBondContact O-CB 2.96Å; V161-Q208 PolarHBondContact O-N 2.76Å; V161-D233 HydrophobicContact CG1-CB 4.13Å; V161-I234 WeakPolarHBondContact CA-O 3.36Å; V161-T235 HydrophobicContact CG2-CG2 4.14Å
162F86.9Confident70.9Confident1 Ų158.6 Ų58.60%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-88133.8169.4-174.5-88.4000108.7E205 G206 D233 I234 L249 L252 H253F162-E205 HydrophobicContact CE1-CB 3.89Å; F162-E205 HydrophobicContact CE1-CG 4.42Å; F162-E205 HydrophobicContact CZ-CB 3.68Å; F162-E205 HydrophobicContact CZ-CG 3.82Å; F162-G206 WeakPolarHBondContact CA-O 3.19Å; F162-D233 WeakPolarHBondContact O-CA 3.43Å; F162-I234 HydrophobicContact CB-CB 4.4Å; F162-I234 HydrophobicContact CD1-CD1 4.28Å; F162-I234 PolarHBondContact N-O 3.37Å; F162-I234 PolarHBondContact O-N 2.85Å; F162-L249 HydrophobicContact CB-CD2 4.26Å; F162-L249 HydrophobicContact CD2-CD2 3.9Å; F162-L252 HydrophobicContact CB-CD1 3.59Å; F162-L252 HydrophobicContact CD1-CB 3.93Å; F162-L252 HydrophobicContact CD1-CD1 4.22Å; F162-L252 HydrophobicContact CD2-CB 4.11Å; F162-L252 HydrophobicContact CD2-CD1 4.32Å; F162-L252 HydrophobicContact CE1-CB 3.97Å; F162-L252 HydrophobicContact CE2-CB 4.14Å; F162-L252 HydrophobicContact CG-CB 3.99Å; F162-L252 HydrophobicContact CG-CD1 3.81Å; F162-L252 HydrophobicContact CZ-CB 4.07Å; F162-H253 AromaticContact CE2-CD2 3.67Å; F162-H253 AromaticContact CE2-CE1 3.88Å; F162-H253 AromaticContact CE2-NE2 3.54Å
163S88.4Confident73.2Confident0 Ų057.1 Ų57.10%032%0.315CS..EExtended strand (participates in β ladder)trans-125.7143.1179.9-1640000110.5E205 G206 C211 E232 D233S163-E205 VanDerWaalsContact O-CA 3.23Å; S163-E205 WeakPolarHBondContact O-CA 3.44Å; S163-G206 PolarHBondContact N-O 2.95Å; S163-G206 PolarHBondContact O-N 3.06Å; S163-G206 VanDerWaalsContact O-N 3.07Å; S163-C211 PolarHBondContact O-SG 3.21Å; S163-C211 VanDerWaalsContact O-SG 3.34Å; S163-E232 CarbonylContact C-O 3.49Å; S163-E232 VanDerWaalsContact CA-O 3.23Å; S163-E232 WeakPolarHBondContact CA-O 3.4Å; S163-E232 PolarHBondContact OG-O 3.41Å; S163-D233 WeakPolarHBondContact CB-OD1 3.39Å; S163-D233 PolarHBondContact OG-OD1 2.99Å
164R91.3Very high75.5Confident3 Ų355.1 Ų55.11%0.01130%0.295CS..EExtended strand (participates in β ladder)trans-123.2121.1168.4-177.3179.8-52.3121.110.2109.5W166 V204 E205 R231 E232 L252 K254R164-W166 VanDerWaalsContact CD-CE2 3.4Å; R164-W166 HydrophobicContact CG-CZ2 4.23Å; R164-V204 CarbonylContact C-O 3.56Å; R164-V204 WeakPolarHBondContact CA-O 3.38Å; R164-E205 HydrophobicContact CB-CB 3.9Å; R164-E205 HydrophobicContact CG-CB 3.92Å; R164-E205 IonicContact CZ-OE2 2.8Å; R164-E205 IonicContact NE-OE2 3.03Å; R164-E205 PolarHBondContact NE-OE2 2.87Å; R164-E205 IonicContact NH2-OE2 3.31Å; R164-E205 PolarHBondContact NH2-OE2 2.8Å; R164-R231 WeakPolarHBondContact O-CA 3.19Å; R164-E232 HydrophobicContact CB-CB 4.21Å; R164-E232 WeakPolarHBondContact CD-OE1 3.33Å; R164-E232 IonicContact CZ-OE1 3.47Å; R164-E232 IonicContact CZ-OE2 2.89Å; R164-E232 PolarHBondContact N-O 3.33Å; R164-E232 IonicContact NH1-OE1 3.87Å; R164-E232 PolarHBondContact NH1-OE1 3.31Å; R164-E232 IonicContact NH1-OE2 2.93Å; R164-E232 PolarHBondContact NH1-OE2 3.45Å; R164-E232 PolarHBondContact O-N 2.65Å; R164-L252 PolarHBondContact NH2-O 3.31Å; R164-L252 VanDerWaalsContact NH2-O 3.08Å; R164-K254 VanDerWaalsContact NH1-CE 3.27Å
165L88.7Confident77.5Confident0 Ų058.4 Ų58.40%029%0.291CS..EExtended strand (participates in β ladder)trans-105.9128.4178.7-55.7-176.6000110.7I167 C203 V204 C211 W215 I228 R231L165-I167 HydrophobicContact CB-CD1 4.46Å; L165-I167 HydrophobicContact CB-CG1 4.37Å; L165-C203 VanDerWaalsContact O-CA 3.3Å; L165-C203 WeakPolarHBondContact O-CA 3.44Å; L165-V204 HydrophobicContact CB-CG2 3.89Å; L165-V204 HydrophobicContact CD1-CG2 4.25Å; L165-V204 HydrophobicContact CG-CG2 4.31Å; L165-V204 PolarHBondContact N-O 2.84Å; L165-V204 PolarHBondContact O-N 2.82Å; L165-V204 VanDerWaalsContact O-N 3.09Å; L165-C211 HydrophobicContact CD1-CB 3.89Å; L165-C211 WeakPolarHBondContact CD1-O 3.31Å; L165-C211 HydrophobicContact CG-CB 4.08Å; L165-W215 HydrophobicContact CD1-CB 4.02Å; L165-I228 HydrophobicContact CD1-CD1 4.35Å; L165-I228 HydrophobicContact CD2-CD1 4.34Å; L165-R231 HydrophobicContact CD2-CB 4.18Å; L165-R231 HydrophobicContact CD2-CG 3.8Å
166W89.6Confident79.6Confident0 Ų057.3 Ų57.30%028%0.283CS..EExtended strand (participates in β ladder)trans-109.3102.4176.4-62.5100.2000109.4R164 F193 C203 R229 H230 E232 F255 L282 C287 V290 Y294R164-W166 VanDerWaalsContact CD-CE2 3.4Å; R164-W166 HydrophobicContact CG-CZ2 4.23Å; W166-F193 AromaticContact CZ3-CE1 3.89Å; W166-F193 HydrophobicContact CZ3-CE1 3.89Å; W166-F193 HydrophobicContact CZ3-CZ 4.2Å; W166-C203 HydrophobicContact CD2-CB 4.45Å; W166-C203 HydrophobicContact CE3-CB 3.7Å; W166-C203 VanDerWaalsContact CE3-SG 3.57Å; W166-C203 HydrophobicContact CZ3-CB 3.75Å; W166-C203 VanDerWaalsContact CZ3-SG 3.55Å; W166-R229 PolarHBondContact O-N 2.98Å; W166-H230 HydrophobicContact CB-CB 3.88Å; W166-H230 WeakPolarHBondContact CB-O 3.43Å; W166-H230 AromaticContact CD1-CD2 3.59Å; W166-H230 HydrophobicContact CG-CB 4.11Å; W166-H230 PolarHBondContact N-O 3.16Å; W166-H230 AromaticContact NE1-CD2 3.91Å; W166-H230 PolarHBondContact O-N 3.35Å; W166-E232 PolarHBondContact NE1-OE1 2.98Å; W166-F255 HydrophobicContact CH2-CE2 4.21Å; W166-F255 HydrophobicContact CH2-CZ 4.04Å; W166-L282 HydrophobicContact CH2-CD2 3.9Å; W166-L282 HydrophobicContact CZ3-CD2 3.72Å; W166-C287 HydrophobicContact CH2-CB 3.6Å; W166-C287 HydrophobicContact CZ2-CB 3.89Å; W166-V290 HydrophobicContact CB-CG1 4.17Å; W166-V290 HydrophobicContact CD2-CB 4.33Å; W166-V290 HydrophobicContact CD2-CG1 3.53Å; W166-V290 HydrophobicContact CD2-CG2 4.14Å; W166-V290 HydrophobicContact CE3-CB 4.44Å; W166-V290 HydrophobicContact CE3-CG1 3.67Å; W166-V290 HydrophobicContact CG-CG1 3.78Å; W166-V290 HydrophobicContact CH2-CB 4.45Å; W166-V290 HydrophobicContact CH2-CG2 4.24Å; W166-V290 HydrophobicContact CZ2-CB 4.34Å; W166-V290 HydrophobicContact CZ2-CG1 4.42Å; W166-V290 HydrophobicContact CZ2-CG2 3.69Å; W166-V290 HydrophobicContact CZ3-CB 4.49Å; W166-V290 HydrophobicContact CZ3-CG1 4.15Å; W166-Y294 WeakPolarHBondContact CA-OH 3.36Å; W166-Y294 HydrophobicContact CB-CE2 4.37Å; W166-Y294 VanDerWaalsContact CB-OH 3.26Å; W166-Y294 WeakPolarHBondContact CB-OH 3.31Å; W166-Y294 AromaticContact CE3-CE2 3.9Å; W166-Y294 HydrophobicContact CE3-CE2 3.9Å
167I91Very high81.9Confident1 Ų151.7 Ų51.71%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-105.1127.6-170.3-59.4161.3000110L165 V202 F214 W215 I226 M227 I228 Y294L165-I167 HydrophobicContact CB-CD1 4.46Å; L165-I167 HydrophobicContact CB-CG1 4.37Å; I167-V202 WeakPolarHBondContact CA-O 3.22Å; I167-V202 HydrophobicContact CB-CB 4.14Å; I167-V202 WeakPolarHBondContact CB-O 3.47Å; I167-V202 HydrophobicContact CD1-CB 4.49Å; I167-V202 HydrophobicContact CD1-CG1 4.48Å; I167-V202 PolarHBondContact N-O 3.22Å; I167-V202 PolarHBondContact O-N 3.26Å; I167-F214 HydrophobicContact CD1-CD1 4.47Å; I167-F214 HydrophobicContact CD1-CE1 4.11Å; I167-W215 HydrophobicContact CD1-CE3 3.78Å; I167-W215 HydrophobicContact CD1-CZ3 4.18Å; I167-W215 HydrophobicContact CG1-CE3 4.13Å; I167-W215 HydrophobicContact CG1-CZ3 4.18Å; I167-W215 HydrophobicContact CG2-CE3 4.45Å; I167-W215 HydrophobicContact CG2-CZ3 3.74Å; I167-I226 HydrophobicContact CG2-CD1 3.89Å; I167-I226 HydrophobicContact CG2-CG1 3.73Å; I167-M227 WeakPolarHBondContact CA-O 3.42Å; I167-I228 HydrophobicContact CG1-CG1 4.18Å; I167-Y294 PolarHBondContact N-OH 3.07Å; I167-Y294 VanDerWaalsContact N-OH 3.1Å; I167-Y294 PolarHBondContact O-OH 2.95Å
168Y89.9Confident84.2Confident40 Ų4051.2 Ų51.216%0.15725%0.245CC..EExtended strand (participates in β ladder)trans-105.7135.9173178.7-86.2000110.5P199 I201 I226 M227 R229 Y294Y168-P199 HydrophobicContact CD2-CB 4.17Å; Y168-P199 HydrophobicContact CE2-CB 3.37Å; Y168-P199 HydrophobicContact CE2-CG 3.86Å; Y168-I201 HydrophobicContact CD2-CD1 3.72Å; Y168-I201 HydrophobicContact CE2-CD1 4.4Å; Y168-I226 CarbonylContact O-C 3.55Å; Y168-I226 VanDerWaalsContact O-CA 3.31Å; Y168-I226 WeakPolarHBondContact O-CA 3.41Å; Y168-M227 HydrophobicContact CD1-CE 3.41Å; Y168-M227 VanDerWaalsContact CD1-CE 3.41Å; Y168-M227 HydrophobicContact CE1-CE 3.96Å; Y168-M227 HydrophobicContact CG-CE 4.14Å; Y168-M227 PolarHBondContact N-O 3.02Å; Y168-M227 PolarHBondContact O-N 3.49Å; Y168-R229 VanDerWaalsContact CB-CG 3.42Å; Y168-R229 HydrophobicContact CG-CG 4.32Å; Y168-Y294 HydrophobicContact CD2-CD1 4Å; Y168-Y294 HydrophobicContact CG-CD1 4.5Å
169S88.3Confident86Confident1 Ų151.1 Ų51.11%0.00723%0.232CC..EExtended strand (participates in β ladder)trans-129.2156.2169.774.10000111.6H171 I172 P199 G200 K225S169-H171 PolarHBondContact O-N 2.99Å; S169-I172 WeakPolarHBondContact OG-CG1 3.48Å; S169-P199 WeakPolarHBondContact O-CB 3.41Å; S169-G200 PolarHBondContact N-O 2.95Å; S169-G200 PolarHBondContact O-N 3.35Å; S169-G200 VanDerWaalsContact O-N 3.07Å; S169-G200 VanDerWaalsContact OG-CA 3.32Å; S169-G200 WeakPolarHBondContact OG-CA 3.46Å; S169-G200 PolarHBondContact OG-O 2.93Å; S169-K225 CarbonylContact C-O 3.59Å; S169-K225 VanDerWaalsContact CA-O 3.25Å; S169-K225 WeakPolarHBondContact CA-O 3.26Å
170H83.6Confident87.4Confident51 Ų5145.3 Ų45.324%0.23621%0.213CC..SBendtrans-60.9-36.4177-167.468.4000112.3K224 K225H170-K224 HydrophobicContact CB-CB 4.26Å; H170-K225 HydrophobicContact CB-CB 4.15Å; H170-K225 PolarHBondContact N-O 3.47Å
171H87.2Confident88.3Confident51 Ų5139.5 Ų39.524%0.23619%0.186CC..  trans-170.3156.6169.154-91.2000111.2S169 Y173 G197 K198S169-H171 PolarHBondContact O-N 2.99Å; H171-Y173 HydrophobicContact CB-CD1 4.35Å; H171-Y173 HydrophobicContact CB-CD2 3.95Å; H171-Y173 HydrophobicContact CB-CE1 4.13Å; H171-Y173 HydrophobicContact CB-CE2 3.7Å; H171-Y173 HydrophobicContact CB-CG 4.28Å; H171-Y173 AromaticContact CD2-CD2 3.3Å; H171-Y173 WeakPolarHBondContact CD2-CD2 3.32Å; H171-Y173 AromaticContact CD2-CE2 3.76Å; H171-Y173 AromaticContact CD2-CG 3.88Å; H171-Y173 AromaticContact CG-CD2 3.67Å; H171-Y173 AromaticContact CG-CE2 3.63Å; H171-G197 CarbonylContact C-O 3.57Å; H171-G197 WeakPolarHBondContact CA-O 3.23Å; H171-G197 WeakPolarHBondContact CB-O 3.21Å; H171-K198 HydrophobicContact CB-CB 4.16Å
172I89.6Confident88.8Confident3 Ų341 Ų412%0.01519%0.193CC..BIsolated β-bridgetrans-123.986.1169.4-55.1156.3000108.4S169 K177 R178 I181 P196 G197 V202 W223S169-I172 WeakPolarHBondContact OG-CG1 3.48Å; I172-K177 HydrophobicContact CG2-CB 4.49Å; I172-R178 HydrophobicContact CG2-CG 3.59Å; I172-I181 HydrophobicContact CD1-CD1 4.37Å; I172-I181 HydrophobicContact CG2-CD1 4.33Å; I172-P196 WeakPolarHBondContact O-CB 3.49Å; I172-G197 PolarHBondContact N-O 2.86Å; I172-G197 PolarHBondContact O-N 3.08Å; I172-V202 HydrophobicContact CD1-CG2 3.69Å; I172-W223 HydrophobicContact CG1-CH2 3.85Å; I172-W223 HydrophobicContact CG1-CZ3 3.62Å
173Y83.4Confident89.1Confident91 Ų9145.4 Ų45.436%0.35721%0.213SC..  trans-103.6-29.1176.3-59.1-38.9000113.2H171 K175 K198 N271H171-Y173 HydrophobicContact CB-CD1 4.35Å; H171-Y173 HydrophobicContact CB-CD2 3.95Å; H171-Y173 HydrophobicContact CB-CE1 4.13Å; H171-Y173 HydrophobicContact CB-CE2 3.7Å; H171-Y173 HydrophobicContact CB-CG 4.28Å; H171-Y173 AromaticContact CD2-CD2 3.3Å; H171-Y173 WeakPolarHBondContact CD2-CD2 3.32Å; H171-Y173 AromaticContact CD2-CE2 3.76Å; H171-Y173 AromaticContact CD2-CG 3.88Å; H171-Y173 AromaticContact CG-CD2 3.67Å; H171-Y173 AromaticContact CG-CE2 3.63Å; Y173-K175 PolarHBondContact O-N 2.9Å; Y173-K198 HydrophobicContact CE1-CB 4.36Å; Y173-K198 WeakPolarHBondContact OH-CB 3.45Å; Y173-N271 HydrophobicContact CE1-CB 3.95Å
174N85.4Confident89.4Confident71 Ų7147.4 Ų47.438%0.3822%0.221SC..  trans-69.2122.3-174.8178.7-62.5000110S176 K177 R178N174-S176 VanDerWaalsContact C-N 3.29Å; N174-S176 PolarHBondContact O-N 2.92Å; N174-S176 WeakPolarHBondContact OD1-CA 3.28Å; N174-S176 WeakPolarHBondContact OD1-CB 3.47Å; N174-S176 PolarHBondContact OD1-N 2.95Å; N174-K177 HydrophobicContact CB-CB 4.34Å; N174-K177 HydrophobicContact CB-CD 3.95Å; N174-K177 HydrophobicContact CB-CG 3.89Å; N174-K177 PolarHBondContact O-N 3.31Å; N174-K177 VanDerWaalsContact O-N 3.16Å; N174-K177 PolarHBondContact OD1-N 3.16Å; N174-R178 PolarHBondContact O-N 3.44Å; N174-R178 VanDerWaalsContact O-N 3.13Å
175K86.7Confident89.5Confident172 Ų17247.3 Ų47.375%0.74822%0.22SC*.Hα-helixtrans-60.5-36.1-178.5-67.6-175.3178.9-177.80112.9Y173 R178 K179Y173-K175 PolarHBondContact O-N 2.9Å; K175-R178 PolarHBondContact O-N 2.76Å; K175-K179 WeakPolarHBondContact O-CB 3.41Å; K175-K179 PolarHBondContact O-N 3.16Å
176S85.8Confident89.7Confident75 Ų7555.9 Ų55.952%0.52426%0.257SS..Hα-helixtrans-65.1-40.1176.5-46.40000111.5N174 K179 N180N174-S176 VanDerWaalsContact C-N 3.29Å; N174-S176 PolarHBondContact O-N 2.92Å; N174-S176 WeakPolarHBondContact OD1-CA 3.28Å; N174-S176 WeakPolarHBondContact OD1-CB 3.47Å; N174-S176 PolarHBondContact OD1-N 2.95Å; S176-K179 PolarHBondContact O-N 3.49Å; S176-N180 WeakPolarHBondContact O-CB 3.31Å; S176-N180 PolarHBondContact O-N 3.27Å; S176-N180 PolarHBondContact O-OD1 3.49Å
177K88.1Confident89.8Confident15 Ų1561.5 Ų61.57%0.06528%0.284CS..Hα-helixtrans-63.5-44.8174.2-60.8-177.9-163.4170.60111.9I172 N174 K179 N180 I181 L221 T222 W223I172-K177 HydrophobicContact CG2-CB 4.49Å; N174-K177 HydrophobicContact CB-CB 4.34Å; N174-K177 HydrophobicContact CB-CD 3.95Å; N174-K177 HydrophobicContact CB-CG 3.89Å; N174-K177 PolarHBondContact O-N 3.31Å; N174-K177 VanDerWaalsContact O-N 3.16Å; N174-K177 PolarHBondContact OD1-N 3.16Å; K177-K179 VanDerWaalsContact C-N 3.33Å; K177-K179 PolarHBondContact O-N 3.43Å; K177-N180 PolarHBondContact O-N 2.88Å; K177-I181 WeakPolarHBondContact O-CB 3.45Å; K177-I181 WeakPolarHBondContact O-CD1 3.47Å; K177-I181 VanDerWaalsContact O-CG1 3.26Å; K177-I181 WeakPolarHBondContact O-CG1 3.23Å; K177-I181 PolarHBondContact O-N 2.87Å; K177-L221 HydrophobicContact CB-CD1 4.39Å; K177-L221 HydrophobicContact CG-CD1 4.17Å; K177-T222 VanDerWaalsContact CE-O 3.26Å; K177-T222 WeakPolarHBondContact CE-O 3.46Å; K177-T222 PolarHBondContact NZ-O 3.11Å; K177-W223 HydrophobicContact CD-CE3 4.41Å; K177-W223 HydrophobicContact CD-CH2 3.88Å; K177-W223 HydrophobicContact CD-CZ2 4.09Å; K177-W223 HydrophobicContact CD-CZ3 4.05Å
178R92.8Very high89.8Confident68 Ų6863.3 Ų63.326%0.25729%0.293SS..Hα-helixtrans-57.6-47.8176.9-68.517262.3177.50.3111I172 N174 K175 I181 L182 P196 E260I172-R178 HydrophobicContact CG2-CG 3.59Å; N174-R178 PolarHBondContact O-N 3.44Å; N174-R178 VanDerWaalsContact O-N 3.13Å; K175-R178 PolarHBondContact O-N 2.76Å; R178-I181 PolarHBondContact O-N 3.3Å; R178-L182 PolarHBondContact O-N 3.44Å; R178-L182 VanDerWaalsContact O-N 3.14Å; R178-P196 HydrophobicContact CG-CB 4.37Å; R178-E260 WeakPolarHBondContact CB-OE2 3.46Å; R178-E260 WeakPolarHBondContact CG-OE2 3.3Å; R178-E260 IonicContact CZ-OE1 3.42Å; R178-E260 IonicContact CZ-OE2 3.41Å; R178-E260 IonicContact NE-OE1 3.16Å; R178-E260 PolarHBondContact NE-OE1 3.46Å; R178-E260 IonicContact NE-OE2 2.65Å; R178-E260 PolarHBondContact NE-OE2 3.07Å; R178-E260 VanDerWaalsContact NH2-CD 3.32Å; R178-E260 IonicContact NH2-OE1 3.96Å; R178-E260 PolarHBondContact NH2-OE1 3.2Å; R178-E260 IonicContact NH2-OE2 3.48Å; R178-E260 PolarHBondContact NH2-OE2 3.27Å
179K90.1Very high89.8Confident119 Ų11964 Ų6452%0.51731%0.313SS..Hα-helixtrans-60.2-49.8176.3-175.9179.5171.6-176.10112K175 S176 K177 I181 L182 E183K175-K179 WeakPolarHBondContact O-CB 3.41Å; K175-K179 PolarHBondContact O-N 3.16Å; S176-K179 PolarHBondContact O-N 3.49Å; K177-K179 VanDerWaalsContact C-N 3.33Å; K177-K179 PolarHBondContact O-N 3.43Å; K179-I181 VanDerWaalsContact C-N 3.32Å; K179-I181 PolarHBondContact O-N 2.92Å; K179-L182 PolarHBondContact O-N 2.91Å; K179-E183 WeakPolarHBondContact CE-OE1 3.12Å; K179-E183 WeakPolarHBondContact CE-OE2 3.37Å; K179-E183 HydrophobicContact CG-CG 4.29Å; K179-E183 IonicContact NZ-OE1 2.71Å; K179-E183 WeakPolarHBondContact O-CB 3.31Å; K179-E183 WeakPolarHBondContact O-CG 3.33Å; K179-E183 PolarHBondContact O-N 3.46Å
180N89.6Confident90Very high39 Ų3964.3 Ų64.321%0.20932%0.315CS..Hα-helixtrans-59.8-41.8179.3-71.74.4000112S176 K177 E183 W184 L221S176-N180 WeakPolarHBondContact O-CB 3.31Å; S176-N180 PolarHBondContact O-N 3.27Å; S176-N180 PolarHBondContact O-OD1 3.49Å; K177-N180 PolarHBondContact O-N 2.88Å; N180-E183 PolarHBondContact O-N 3.44Å; N180-W184 HydrophobicContact CB-CD2 4.07Å; N180-W184 HydrophobicContact CB-CE3 3.95Å; N180-W184 HydrophobicContact CB-CH2 3.74Å; N180-W184 HydrophobicContact CB-CZ2 3.8Å; N180-W184 HydrophobicContact CB-CZ3 3.79Å; N180-W184 VanDerWaalsContact O-CB 3.31Å; N180-W184 WeakPolarHBondContact O-CB 3.41Å; N180-W184 PolarHBondContact O-N 2.89Å; N180-L221 HydrophobicContact CB-CD1 4.43Å
181I94.1Very high90.6Very high0 Ų062.1 Ų62.10%031%0.305CS..Hα-helixtrans-58.9-49.1176.4-72.5161.6000110.5I172 K177 R178 K179 S185 V202 F214 V218 W223 F258I172-I181 HydrophobicContact CD1-CD1 4.37Å; I172-I181 HydrophobicContact CG2-CD1 4.33Å; K177-I181 WeakPolarHBondContact O-CB 3.45Å; K177-I181 WeakPolarHBondContact O-CD1 3.47Å; K177-I181 VanDerWaalsContact O-CG1 3.26Å; K177-I181 WeakPolarHBondContact O-CG1 3.23Å; K177-I181 PolarHBondContact O-N 2.87Å; R178-I181 PolarHBondContact O-N 3.3Å; K179-I181 VanDerWaalsContact C-N 3.32Å; K179-I181 PolarHBondContact O-N 2.92Å; I181-S185 WeakPolarHBondContact O-CB 3.36Å; I181-S185 PolarHBondContact O-N 2.9Å; I181-S185 VanDerWaalsContact O-N 3.08Å; I181-S185 PolarHBondContact O-OG 2.92Å; I181-V202 HydrophobicContact CD1-CG2 4.11Å; I181-V202 HydrophobicContact CG2-CG1 4.3Å; I181-F214 HydrophobicContact CG2-CZ 4.06Å; I181-V218 HydrophobicContact CG1-CG2 4.28Å; I181-W223 HydrophobicContact CD1-CH2 4.32Å; I181-F258 HydrophobicContact CG2-CE1 3.73Å; I181-F258 HydrophobicContact CG2-CZ 3.53Å
182L94.4Very high90.9Very high60 Ų6059.8 Ų59.831%0.31429%0.294SS..Hα-helixtrans-63.2-46.3178.3-71.4165.3000112.5R178 K179 K186 F258 E260R178-L182 PolarHBondContact O-N 3.44Å; R178-L182 VanDerWaalsContact O-N 3.14Å; K179-L182 PolarHBondContact O-N 2.91Å; L182-K186 PolarHBondContact O-N 2.81Å; L182-K186 VanDerWaalsContact O-N 3.16Å; L182-F258 HydrophobicContact CD2-CD1 3.82Å; L182-F258 HydrophobicContact CD2-CE1 3.86Å; L182-E260 HydrophobicContact CD1-CB 4.47Å; L182-E260 HydrophobicContact CD2-CB 4.22Å
183E92.8Very high91.2Very high93 Ų9359.6 Ų59.644%0.43529%0.294SS..Hα-helixtrans-65.4-46.7-177.7-75.3-179.116000111.8K179 N180 K186 E187K179-E183 WeakPolarHBondContact CE-OE1 3.12Å; K179-E183 WeakPolarHBondContact CE-OE2 3.37Å; K179-E183 HydrophobicContact CG-CG 4.29Å; K179-E183 IonicContact NZ-OE1 2.71Å; K179-E183 WeakPolarHBondContact O-CB 3.31Å; K179-E183 WeakPolarHBondContact O-CG 3.33Å; K179-E183 PolarHBondContact O-N 3.46Å; N180-E183 PolarHBondContact O-N 3.44Å; E183-K186 PolarHBondContact O-N 2.94Å; E183-E187 WeakPolarHBondContact O-CB 3.46Å; E183-E187 PolarHBondContact O-N 3.04Å
184W94.2Very high91.8Very high43 Ų4355.4 Ų55.416%0.16328%0.277CS..Hα-helixtrans-70.3-35.8-179.4-60.5-27.9000112.8N180 K186 E187 L188 F214 R217 V218 L221N180-W184 HydrophobicContact CB-CD2 4.07Å; N180-W184 HydrophobicContact CB-CE3 3.95Å; N180-W184 HydrophobicContact CB-CH2 3.74Å; N180-W184 HydrophobicContact CB-CZ2 3.8Å; N180-W184 HydrophobicContact CB-CZ3 3.79Å; N180-W184 VanDerWaalsContact O-CB 3.31Å; N180-W184 WeakPolarHBondContact O-CB 3.41Å; N180-W184 PolarHBondContact O-N 2.89Å; W184-K186 VanDerWaalsContact C-N 3.31Å; W184-K186 PolarHBondContact O-N 3.35Å; W184-E187 PolarHBondContact O-N 2.81Å; W184-L188 VanDerWaalsContact O-CB 3.31Å; W184-L188 WeakPolarHBondContact O-CB 3.38Å; W184-L188 VanDerWaalsContact O-CG 3.28Å; W184-L188 WeakPolarHBondContact O-CG 3.39Å; W184-L188 PolarHBondContact O-N 3.3Å; W184-F214 HydrophobicContact CB-CD2 4.05Å; W184-F214 HydrophobicContact CB-CE2 4.24Å; W184-R217 HydrophobicContact CD2-CB 4.07Å; W184-R217 HydrophobicContact CE3-CB 3.71Å; W184-R217 HydrophobicContact CH2-CB 3.99Å; W184-R217 HydrophobicContact CZ2-CB 4.37Å; W184-R217 HydrophobicContact CZ3-CB 3.67Å; W184-V218 HydrophobicContact CE3-CG2 3.8Å; W184-V218 HydrophobicContact CZ3-CG2 3.92Å; W184-L221 HydrophobicContact CH2-CD1 3.97Å; W184-L221 HydrophobicContact CH2-CD2 3.98Å; W184-L221 HydrophobicContact CH2-CG 4.15Å; W184-L221 HydrophobicContact CZ3-CD1 3.81Å; W184-L221 HydrophobicContact CZ3-CG 4.29Å
185S93.6Very high92.1Very high0 Ų052 Ų520%026%0.259CS..Hα-helixtrans-59.6-45.1172.5-68.20000111I181 G189 L190 F214 F258I181-S185 WeakPolarHBondContact O-CB 3.36Å; I181-S185 PolarHBondContact O-N 2.9Å; I181-S185 VanDerWaalsContact O-N 3.08Å; I181-S185 PolarHBondContact O-OG 2.92Å; S185-G189 PolarHBondContact O-N 3.04Å; S185-L190 PolarHBondContact O-N 2.56Å; S185-F214 WeakPolarHBondContact OG-CE2 3.32Å; S185-F258 VanDerWaalsContact CB-CD2 3.5Å; S185-F258 WeakPolarHBondContact OG-CD2 3.42Å; S185-F258 WeakPolarHBondContact OG-CE2 3.46Å; S185-F258 WeakPolarHBondContact OG-CG 3.15Å; S185-F258 WeakPolarHBondContact OG-CZ 3.38Å
186K92.6Very high92.2Very high180 Ų18044.3 Ų44.378%0.78323%0.227SC*.Hα-helixtrans-67.2-43.9178.4-171.9-178.3180-178.70112.4L182 E183 W184 L188 G189L182-K186 PolarHBondContact O-N 2.81Å; L182-K186 VanDerWaalsContact O-N 3.16Å; E183-K186 PolarHBondContact O-N 2.94Å; W184-K186 VanDerWaalsContact C-N 3.31Å; W184-K186 PolarHBondContact O-N 3.35Å; K186-L188 VanDerWaalsContact C-N 3.29Å; K186-L188 PolarHBondContact O-N 2.92Å; K186-G189 PolarHBondContact O-N 3.41Å
187E92.3Very high92.3Very high119 Ų11941 Ų4156%0.55621%0.205SC*.Hα-helixtrans-58.3-41.8178-175.9-167.4141.200111.6E183 W184 G189 R217E183-E187 WeakPolarHBondContact O-CB 3.46Å; E183-E187 PolarHBondContact O-N 3.04Å; W184-E187 PolarHBondContact O-N 2.81Å; E187-G189 VanDerWaalsContact C-N 3.3Å; E187-G189 PolarHBondContact O-N 2.93Å; E187-R217 IonicContact OE1-CZ 2.75Å; E187-R217 IonicContact OE1-NH1 2.78Å; E187-R217 PolarHBondContact OE1-NH1 3.07Å; E187-R217 IonicContact OE1-NH2 2.65Å; E187-R217 PolarHBondContact OE1-NH2 2.76Å; E187-R217 IonicContact OE2-NH1 2.81Å; E187-R217 PolarHBondContact OE2-NH1 3.37Å
188L90.3Very high92Very high38 Ų3844.3 Ų44.320%0.19922%0.219CC..THydrogen-bonded Turntrans-86.93.2-177.6-64.3169.1000113.4W184 K186 L190 A210 E213 F214W184-L188 VanDerWaalsContact O-CB 3.31Å; W184-L188 WeakPolarHBondContact O-CB 3.38Å; W184-L188 VanDerWaalsContact O-CG 3.28Å; W184-L188 WeakPolarHBondContact O-CG 3.39Å; W184-L188 PolarHBondContact O-N 3.3Å; K186-L188 VanDerWaalsContact C-N 3.29Å; K186-L188 PolarHBondContact O-N 2.92Å; L188-L190 HydrophobicContact CB-CD1 4.03Å; L188-L190 HydrophobicContact CB-CG 3.92Å; L188-L190 HydrophobicContact CD1-CD1 4.31Å; L188-L190 PolarHBondContact O-N 2.77Å; L188-A210 HydrophobicContact CB-CB 4.3Å; L188-E213 HydrophobicContact CD1-CB 4.33Å; L188-E213 HydrophobicContact CD1-CG 4.06Å; L188-E213 HydrophobicContact CD2-CB 4.32Å; L188-E213 HydrophobicContact CD2-CG 3.77Å; L188-F214 HydrophobicContact CD1-CB 3.67Å; L188-F214 HydrophobicContact CD1-CD2 4.38Å
189G90.3Very high91.8Very high56 Ų5641.9 Ų41.958%0.57721%0.212SC*.THydrogen-bonded Turntrans63.826.4-178.700000113.6S185 K186 E187S185-G189 PolarHBondContact O-N 3.04Å; K186-G189 PolarHBondContact O-N 3.41Å; E187-G189 VanDerWaalsContact C-N 3.3Å; E187-G189 PolarHBondContact O-N 2.93Å
190L94.1Very high91.7Very high7 Ų736.2 Ų36.24%0.03719%0.187CC..  trans-84.9151179.4-62.5175.6000110.8S185 L188 V204 A210 F214S185-L190 PolarHBondContact O-N 2.56Å; L188-L190 HydrophobicContact CB-CD1 4.03Å; L188-L190 HydrophobicContact CB-CG 3.92Å; L188-L190 HydrophobicContact CD1-CD1 4.31Å; L188-L190 PolarHBondContact O-N 2.77Å; L190-V204 HydrophobicContact CD1-CB 4.13Å; L190-V204 HydrophobicContact CD1-CG1 4.25Å; L190-A210 HydrophobicContact CD2-CB 3.66Å; L190-A210 HydrophobicContact CG-CB 4.25Å; L190-F214 HydrophobicContact CD1-CB 3.45Å; L190-F214 VanDerWaalsContact CD1-CB 3.45Å; L190-F214 HydrophobicContact CD1-CD2 4.03Å; L190-F214 HydrophobicContact CD1-CG 3.81Å
191S94.3Very high91.9Very high5 Ų534.3 Ų34.34%0.03518%0.177CC..EExtended strand (participates in β ladder)trans-113.3168169.868.80000110.4V204 E205 H253 F255 G257S191-V204 CarbonylContact O-C 3.52Å; S191-V204 WeakPolarHBondContact O-CA 2.75Å; S191-E205 PolarHBondContact N-O 3.49Å; S191-E205 PolarHBondContact O-N 3.4Å; S191-E205 WeakPolarHBondContact OG-CG 3.27Å; S191-E205 PolarHBondContact OG-O 3.35Å; S191-E205 PolarHBondContact OG-OE1 3.14Å; S191-H253 PolarHBondContact OG-CE1 3.48Å; S191-H253 VanDerWaalsContact OG-CE1 3.24Å; S191-H253 PolarHBondContact OG-ND1 3.36Å; S191-F255 WeakPolarHBondContact CB-O 3.37Å; S191-F255 PolarHBondContact OG-O 3.16Å; S191-G257 CarbonylContact C-O 3.46Å; S191-G257 WeakPolarHBondContact CA-O 3.21Å; S191-G257 WeakPolarHBondContact CB-O 3.49Å
192G95.3Very high92Very high1 Ų134.5 Ų34.51%0.0118%0.178CC..EExtended strand (participates in β ladder)trans136.8-150.1-17900000112C203 G257 F258 E259G192-C203 CarbonylContact C-O 3.56Å; G192-C203 VanDerWaalsContact CA-O 3.32Å; G192-C203 WeakPolarHBondContact CA-O 3.39Å; G192-G257 PolarHBondContact N-O 3.44Å; G192-F258 WeakPolarHBondContact O-CA 3.39Å; G192-E259 PolarHBondContact O-N 3.03Å
193F95.6Very high92Very high0 Ų031.6 Ų31.60%016%0.163CC..EExtended strand (participates in β ladder)trans-152.4160.117971.1-80.7000112.8W166 M195 I201 V202 C203 F255 E259 A261 L278 F281 L282W166-F193 AromaticContact CZ3-CE1 3.89Å; W166-F193 HydrophobicContact CZ3-CE1 3.89Å; W166-F193 HydrophobicContact CZ3-CZ 4.2Å; F193-M195 HydrophobicContact CE2-CB 4.42Å; F193-I201 HydrophobicContact CE2-CG2 4.11Å; F193-I201 HydrophobicContact CZ-CG2 4.22Å; F193-V202 CarbonylContact O-C 3.47Å; F193-V202 WeakPolarHBondContact O-CA 3.47Å; F193-C203 HydrophobicContact CD1-CB 3.59Å; F193-C203 HydrophobicContact CE1-CB 3.33Å; F193-C203 HydrophobicContact CG-CB 4.46Å; F193-C203 HydrophobicContact CZ-CB 4.03Å; F193-C203 PolarHBondContact N-O 3.38Å; F193-C203 PolarHBondContact O-N 2.94Å; F193-F255 HydrophobicContact CD1-CD1 4.07Å; F193-F255 AromaticContact CD1-CE1 3.48Å; F193-F255 HydrophobicContact CD1-CE1 3.48Å; F193-F255 VanDerWaalsContact CD1-CE1 3.48Å; F193-F255 HydrophobicContact CD1-CE2 4.41Å; F193-F255 AromaticContact CD1-CZ 3.69Å; F193-F255 HydrophobicContact CD1-CZ 3.69Å; F193-F255 AromaticContact CE1-CE1 3.78Å; F193-F255 HydrophobicContact CE1-CE1 3.78Å; F193-F255 HydrophobicContact CE1-CE2 4.45Å; F193-F255 AromaticContact CE1-CZ 3.61Å; F193-F255 HydrophobicContact CE1-CZ 3.61Å; F193-E259 CarbonylContact C-O 3.45Å; F193-E259 WeakPolarHBondContact CA-O 3.46Å; F193-E259 HydrophobicContact CB-CG 4.45Å; F193-E259 WeakPolarHBondContact CB-O 3.31Å; F193-A261 HydrophobicContact CB-CB 4.48Å; F193-A261 HydrophobicContact CD2-CB 4.07Å; F193-L278 HydrophobicContact CE2-CD1 4.08Å; F193-L278 HydrophobicContact CZ-CD1 4.31Å; F193-F281 HydrophobicContact CB-CZ 4.37Å; F193-F281 AromaticContact CD1-CE1 3.66Å; F193-F281 HydrophobicContact CD1-CE1 3.66Å; F193-F281 HydrophobicContact CD1-CZ 4.13Å; F193-F281 HydrophobicContact CD2-CE1 4.06Å; F193-F281 AromaticContact CE1-CE1 3.75Å; F193-F281 HydrophobicContact CE1-CE1 3.75Å; F193-F281 HydrophobicContact CE2-CE1 4.14Å; F193-F281 AromaticContact CG-CE1 3.83Å; F193-F281 HydrophobicContact CG-CE1 3.83Å; F193-F281 HydrophobicContact CG-CZ 4.12Å; F193-F281 AromaticContact CZ-CE1 3.99Å; F193-F281 HydrophobicContact CZ-CE1 3.99Å; F193-L282 HydrophobicContact CE1-CD2 4.18Å; F193-L282 HydrophobicContact CZ-CD2 4.02Å
194S95.3Very high92.2Very high2 Ų227.2 Ų27.21%0.01414%0.143CC..EExtended strand (participates in β ladder)trans-123.7129.9162.561.50000110.7P196 I201 E259 E260 A261S194-P196 WeakPolarHBondContact O-CD 3.38Å; S194-I201 CarbonylContact C-O 3.57Å; S194-I201 WeakPolarHBondContact CA-O 3.34Å; S194-E259 PolarHBondContact N-O 3Å; S194-E260 CarbonylContact O-C 3.56Å; S194-E260 VanDerWaalsContact O-CA 3.31Å; S194-E260 WeakPolarHBondContact O-CA 3.5Å; S194-E260 WeakPolarHBondContact O-CG 3.17Å; S194-A261 PolarHBondContact O-N 2.74Å
195M92.4Very high92.1Very high1 Ų125.1 Ų25.11%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-102.2104.2170-174.2-170.873.800108.6F193 P199 G200 I201 F263 M273 L278F193-M195 HydrophobicContact CE2-CB 4.42Å; M195-P199 WeakPolarHBondContact CE-O 3.39Å; M195-G200 WeakPolarHBondContact O-CA 3.24Å; M195-I201 HydrophobicContact CB-CB 4.19Å; M195-I201 HydrophobicContact CE-CB 4.18Å; M195-I201 HydrophobicContact CE-CG1 3.63Å; M195-I201 PolarHBondContact N-O 2.79Å; M195-I201 PolarHBondContact O-N 2.85Å; M195-F263 HydrophobicContact CB-CE2 4.3Å; M195-F263 HydrophobicContact CG-CD2 3.72Å; M195-F263 HydrophobicContact CG-CE2 3.72Å; M195-F263 HydrophobicContact SD-CD2 3.43Å; M195-F263 WeakPolarHBondContact SD-CD2 3.43Å; M195-F263 HydrophobicContact SD-CE2 3.48Å; M195-F263 WeakPolarHBondContact SD-CE2 3.26Å; M195-M273 HydrophobicContact CE-CB 4.24Å; M195-M273 HydrophobicContact CG-CB 4.15Å; M195-M273 HydrophobicContact CG-CE 4.47Å; M195-M273 HydrophobicContact CG-CG 3.89Å; M195-M273 HydrophobicContact SD-CB 3.69Å; M195-M273 HydrophobicContact SD-CG 4.09Å; M195-L278 HydrophobicContact CE-CD2 4.01Å; M195-L278 HydrophobicContact SD-CB 4.23Å; M195-L278 HydrophobicContact SD-CD1 4.1Å; M195-L278 HydrophobicContact SD-CD2 3.98Å; M195-L278 HydrophobicContact SD-CG 4.33Å
196P89.1Confident92Very high9 Ų925.1 Ų25.16%0.05814%0.135CC..  trans-68.4164.2172.931.1-34.7000110.6I172 R178 S194 E260 M273I172-P196 WeakPolarHBondContact O-CB 3.49Å; R178-P196 HydrophobicContact CG-CB 4.37Å; S194-P196 WeakPolarHBondContact O-CD 3.38Å; P196-E260 HydrophobicContact CG-CG 3.95Å; P196-M273 WeakPolarHBondContact O-CG 3.19Å
197G86.3Confident91.8Very high6 Ų619.1 Ų19.16%0.06211%0.114CC..BIsolated β-bridgetrans116.8-160.2-177.700000113.2H171 I172 P199 G200 N271H171-G197 CarbonylContact C-O 3.57Å; H171-G197 WeakPolarHBondContact CA-O 3.23Å; H171-G197 WeakPolarHBondContact CB-O 3.21Å; I172-G197 PolarHBondContact N-O 2.86Å; I172-G197 PolarHBondContact O-N 3.08Å; G197-P199 CarbonylContact C-O 3.56Å; G197-P199 CarbonylContact O-C 3.57Å; G197-G200 PolarHBondContact O-N 2.85Å; G197-N271 WeakPolarHBondContact CA-O 3.39Å
198K83.1Confident91.6Very high84 Ų8416.5 Ų16.537%0.36510%0.102SC..SBendtrans-124.9115.2175.8177.6176.7-177.4-167.10110.9H171 Y173 N271 H272H171-K198 HydrophobicContact CB-CB 4.16Å; Y173-K198 HydrophobicContact CE1-CB 4.36Å; Y173-K198 WeakPolarHBondContact OH-CB 3.45Å; K198-N271 PolarHBondContact N-O 2.93Å; K198-N271 VanDerWaalsContact N-O 3.13Å; K198-H272 PolarHBondContact O-CD2 3.17Å; K198-H272 VanDerWaalsContact O-CD2 3.31Å
199P87.2Confident91.4Very high17 Ų1719.2 Ų19.211%0.1112%0.124CC..SBendcis-70.1163.5-6.333.4-36.2000111.9Y168 S169 M195 G197 I201 F295Y168-P199 HydrophobicContact CD2-CB 4.17Å; Y168-P199 HydrophobicContact CE2-CB 3.37Å; Y168-P199 HydrophobicContact CE2-CG 3.86Å; S169-P199 WeakPolarHBondContact O-CB 3.41Å; M195-P199 WeakPolarHBondContact CE-O 3.39Å; G197-P199 CarbonylContact C-O 3.56Å; G197-P199 CarbonylContact O-C 3.57Å; P199-I201 HydrophobicContact CG-CD1 4.3Å; P199-F295 HydrophobicContact CG-CE1 3.68Å; P199-F295 HydrophobicContact CG-CZ 3.93Å
200G89.9Confident91.3Very high0 Ų017.1 Ų17.10%010%0.101CC..EExtended strand (participates in β ladder)trans-94.2129.3170.200000109.8S169 M195 G197S169-G200 PolarHBondContact N-O 2.95Å; S169-G200 PolarHBondContact O-N 3.35Å; S169-G200 VanDerWaalsContact O-N 3.07Å; S169-G200 VanDerWaalsContact OG-CA 3.32Å; S169-G200 WeakPolarHBondContact OG-CA 3.46Å; S169-G200 PolarHBondContact OG-O 2.93Å; M195-G200 WeakPolarHBondContact O-CA 3.24Å; G197-G200 PolarHBondContact O-N 2.85Å
201I92.9Very high90.9Very high0 Ų016.8 Ų16.80%010%0.1CC..EExtended strand (participates in β ladder)trans-117.6137.5-177.5-57.3-63.6000108.8Y168 F193 S194 M195 P199 L278 Y294 F295Y168-I201 HydrophobicContact CD2-CD1 3.72Å; Y168-I201 HydrophobicContact CE2-CD1 4.4Å; F193-I201 HydrophobicContact CE2-CG2 4.11Å; F193-I201 HydrophobicContact CZ-CG2 4.22Å; S194-I201 CarbonylContact C-O 3.57Å; S194-I201 WeakPolarHBondContact CA-O 3.34Å; M195-I201 HydrophobicContact CB-CB 4.19Å; M195-I201 HydrophobicContact CE-CB 4.18Å; M195-I201 HydrophobicContact CE-CG1 3.63Å; M195-I201 PolarHBondContact N-O 2.79Å; M195-I201 PolarHBondContact O-N 2.85Å; P199-I201 HydrophobicContact CG-CD1 4.3Å; I201-L278 HydrophobicContact CG1-CD2 4.45Å; I201-Y294 HydrophobicContact CD1-CD1 3.75Å; I201-Y294 HydrophobicContact CD1-CE1 3.8Å; I201-Y294 HydrophobicContact CD1-CG 4.13Å; I201-Y294 HydrophobicContact CG2-CE1 4.29Å; I201-Y294 HydrophobicContact CG2-CE2 3.85Å; I201-F295 HydrophobicContact CD1-CZ 4.49Å
202V95.6Very high90.6Very high3 Ų319.8 Ų19.82%0.01811%0.113CC..EExtended strand (participates in β ladder)trans-133.9131.2172.9-1760000108.4I167 I172 I181 F193 V204 F214 F258I167-V202 WeakPolarHBondContact CA-O 3.22Å; I167-V202 HydrophobicContact CB-CB 4.14Å; I167-V202 WeakPolarHBondContact CB-O 3.47Å; I167-V202 HydrophobicContact CD1-CB 4.49Å; I167-V202 HydrophobicContact CD1-CG1 4.48Å; I167-V202 PolarHBondContact N-O 3.22Å; I167-V202 PolarHBondContact O-N 3.26Å; I172-V202 HydrophobicContact CD1-CG2 3.69Å; I181-V202 HydrophobicContact CD1-CG2 4.11Å; I181-V202 HydrophobicContact CG2-CG1 4.3Å; F193-V202 CarbonylContact O-C 3.47Å; F193-V202 WeakPolarHBondContact O-CA 3.47Å; V202-V204 HydrophobicContact CG1-CG1 4.4Å; V202-F214 HydrophobicContact CG1-CE1 4.04Å; V202-F214 HydrophobicContact CG1-CZ 4.06Å; V202-F258 HydrophobicContact CG1-CE2 4.45Å; V202-F258 HydrophobicContact CG1-CZ 4.25Å
203C95.6Very high90.1Very high0 Ų023.3 Ų23.30%013%0.129CC..EExtended strand (participates in β ladder)trans-118.5129.2169-177.60000108.3L165 W166 G192 F193 F258L165-C203 VanDerWaalsContact O-CA 3.3Å; L165-C203 WeakPolarHBondContact O-CA 3.44Å; W166-C203 HydrophobicContact CD2-CB 4.45Å; W166-C203 HydrophobicContact CE3-CB 3.7Å; W166-C203 VanDerWaalsContact CE3-SG 3.57Å; W166-C203 HydrophobicContact CZ3-CB 3.75Å; W166-C203 VanDerWaalsContact CZ3-SG 3.55Å; G192-C203 CarbonylContact C-O 3.56Å; G192-C203 VanDerWaalsContact CA-O 3.32Å; G192-C203 WeakPolarHBondContact CA-O 3.39Å; F193-C203 HydrophobicContact CD1-CB 3.59Å; F193-C203 HydrophobicContact CE1-CB 3.33Å; F193-C203 HydrophobicContact CG-CB 4.46Å; F193-C203 HydrophobicContact CZ-CB 4.03Å; F193-C203 PolarHBondContact N-O 3.38Å; F193-C203 PolarHBondContact O-N 2.94Å; C203-F258 WeakPolarHBondContact O-CE2 3.38Å
204V96.3Very high90Very high0 Ų023.3 Ų23.30%013%0.129CC..EExtended strand (participates in β ladder)trans-127.6140.9169-72.20000110R164 L165 L190 S191 V202 F214 F258R164-V204 CarbonylContact C-O 3.56Å; R164-V204 WeakPolarHBondContact CA-O 3.38Å; L165-V204 HydrophobicContact CB-CG2 3.89Å; L165-V204 HydrophobicContact CD1-CG2 4.25Å; L165-V204 HydrophobicContact CG-CG2 4.31Å; L165-V204 PolarHBondContact N-O 2.84Å; L165-V204 PolarHBondContact O-N 2.82Å; L165-V204 VanDerWaalsContact O-N 3.09Å; L190-V204 HydrophobicContact CD1-CB 4.13Å; L190-V204 HydrophobicContact CD1-CG1 4.25Å; S191-V204 CarbonylContact O-C 3.52Å; S191-V204 WeakPolarHBondContact O-CA 2.75Å; V202-V204 HydrophobicContact CG1-CG1 4.4Å; V204-F214 HydrophobicContact CB-CD1 4.3Å; V204-F214 HydrophobicContact CB-CE1 4.39Å; V204-F214 HydrophobicContact CG1-CD1 3.74Å; V204-F214 HydrophobicContact CG1-CD2 4.31Å; V204-F214 HydrophobicContact CG1-CE1 3.48Å; V204-F214 VanDerWaalsContact CG1-CE1 3.48Å; V204-F214 HydrophobicContact CG1-CE2 4.09Å; V204-F214 HydrophobicContact CG1-CG 4.14Å; V204-F214 HydrophobicContact CG1-CZ 3.66Å; V204-F214 HydrophobicContact CG2-CD1 3.67Å; V204-F214 HydrophobicContact CG2-CE1 4Å; V204-F214 HydrophobicContact CG2-CG 4.37Å; V204-F258 HydrophobicContact CG1-CD2 4.07Å; V204-F258 HydrophobicContact CG1-CE2 3.55Å
205E92.1Very high89.9Confident0 Ų024.9 Ų24.90%014%0.135CC..EExtended strand (participates in β ladder)trans-139.9145.5174.571.3-178.3-179.600111.8F162 S163 R164 S191 H253 K254 F255F162-E205 HydrophobicContact CE1-CB 3.89Å; F162-E205 HydrophobicContact CE1-CG 4.42Å; F162-E205 HydrophobicContact CZ-CB 3.68Å; F162-E205 HydrophobicContact CZ-CG 3.82Å; S163-E205 VanDerWaalsContact O-CA 3.23Å; S163-E205 WeakPolarHBondContact O-CA 3.44Å; R164-E205 HydrophobicContact CB-CB 3.9Å; R164-E205 HydrophobicContact CG-CB 3.92Å; R164-E205 IonicContact CZ-OE2 2.8Å; R164-E205 IonicContact NE-OE2 3.03Å; R164-E205 PolarHBondContact NE-OE2 2.87Å; R164-E205 IonicContact NH2-OE2 3.31Å; R164-E205 PolarHBondContact NH2-OE2 2.8Å; S191-E205 PolarHBondContact N-O 3.49Å; S191-E205 PolarHBondContact O-N 3.4Å; S191-E205 WeakPolarHBondContact OG-CG 3.27Å; S191-E205 PolarHBondContact OG-O 3.35Å; S191-E205 PolarHBondContact OG-OE1 3.14Å; E205-H253 VanDerWaalsContact OE1-CA 3.29Å; E205-H253 WeakPolarHBondContact OE1-CA 3.39Å; E205-H253 IonicContact OE1-ND1 3.54Å; E205-K254 PolarHBondContact OE1-N 2.7Å; E205-K254 PolarHBondContact OE2-N 3.2Å; E205-F255 HydrophobicContact CG-CD2 4.36Å; E205-F255 WeakPolarHBondContact OE1-CD2 3.15Å; E205-F255 PolarHBondContact OE1-N 3.21Å
206G91.3Very high89.3Confident0 Ų026.7 Ų26.70%015%0.147CC..EExtended strand (participates in β ladder)trans159.2-158.5-176.700000111.7F162 S163 Q208F162-G206 WeakPolarHBondContact CA-O 3.19Å; S163-G206 PolarHBondContact N-O 2.95Å; S163-G206 PolarHBondContact O-N 3.06Å; S163-G206 VanDerWaalsContact O-N 3.07Å; G206-Q208 PolarHBondContact O-N 3.47Å
207P89.1Confident89Confident53 Ų5328.9 Ų28.934%0.34416%0.155SC..EExtended strand (participates in β ladder)trans-57.2135.7174.2-23.634.1000111.4S209 A210 C211P207-S209 PolarHBondContact O-N 2.95Å; P207-S209 VanDerWaalsContact O-N 3.14Å; P207-A210 HydrophobicContact CB-CB 4.36Å; P207-A210 WeakPolarHBondContact O-CB 3.46Å; P207-A210 PolarHBondContact O-N 3.21Å; P207-C211 PolarHBondContact O-N 2.87Å
208Q88.2Confident88.9Confident65 Ų6528.6 Ų28.630%0.30415%0.152SC..Hα-helixtrans-53-41.3-176.2-173.3-176.827.500112.9V161 G206 A210 C211 E212V161-Q208 HydrophobicContact CB-CB 4.03Å; V161-Q208 HydrophobicContact CG1-CB 4.15Å; V161-Q208 HydrophobicContact CG1-CG 4.47Å; V161-Q208 WeakPolarHBondContact O-CB 2.96Å; V161-Q208 PolarHBondContact O-N 2.76Å; G206-Q208 PolarHBondContact O-N 3.47Å; Q208-A210 VanDerWaalsContact C-N 3.35Å; Q208-A210 PolarHBondContact O-N 3.19Å; Q208-C211 PolarHBondContact O-N 2.88Å; Q208-E212 WeakPolarHBondContact O-CG 3.38Å; Q208-E212 PolarHBondContact O-N 3Å
209S86.4Confident88.9Confident94 Ų9429.5 Ų29.566%0.65716%0.155SC*.Hα-helixtrans-60.1-42.4177.351.40000112.7P207 E213P207-S209 PolarHBondContact O-N 2.95Å; P207-S209 VanDerWaalsContact O-N 3.14Å; S209-E213 WeakPolarHBondContact O-CB 3.34Å; S209-E213 PolarHBondContact O-N 3.07Å
210A87.4Confident88.1Confident13 Ų1334 Ų3411%0.10718%0.182CC..Hα-helixtrans-68.3-40.8177.700000111.4L188 L190 P207 Q208 E213 F214L188-A210 HydrophobicContact CB-CB 4.3Å; L190-A210 HydrophobicContact CD2-CB 3.66Å; L190-A210 HydrophobicContact CG-CB 4.25Å; P207-A210 HydrophobicContact CB-CB 4.36Å; P207-A210 WeakPolarHBondContact O-CB 3.46Å; P207-A210 PolarHBondContact O-N 3.21Å; Q208-A210 VanDerWaalsContact C-N 3.35Å; Q208-A210 PolarHBondContact O-N 3.19Å; A210-E213 PolarHBondContact O-N 2.75Å; A210-F214 WeakPolarHBondContact O-CB 3.25Å; A210-F214 PolarHBondContact O-N 2.94Å
211C86.6Confident87.2Confident0 Ų035.9 Ų35.90%019%0.192CC..Hα-helixtrans-63.7-41.4175.7-67.30000112.6S163 L165 P207 Q208 F214 W215S163-C211 PolarHBondContact O-SG 3.21Å; S163-C211 VanDerWaalsContact O-SG 3.34Å; L165-C211 HydrophobicContact CD1-CB 3.89Å; L165-C211 WeakPolarHBondContact CD1-O 3.31Å; L165-C211 HydrophobicContact CG-CB 4.08Å; P207-C211 PolarHBondContact O-N 2.87Å; Q208-C211 PolarHBondContact O-N 2.88Å; C211-F214 PolarHBondContact O-N 3.06Å; C211-W215 WeakPolarHBondContact O-CB 3.43Å; C211-W215 PolarHBondContact O-N 3.23Å
212E87.6Confident86.4Confident67 Ų6741.4 Ų41.431%0.31323%0.226SC..Hα-helixtrans-64.9-41.3175.3-72.5-60.3156.400112.1Q208 W215 S216 R231Q208-E212 WeakPolarHBondContact O-CG 3.38Å; Q208-E212 PolarHBondContact O-N 3Å; E212-W215 PolarHBondContact O-N 3.45Å; E212-S216 WeakPolarHBondContact O-CB 3.46Å; E212-S216 PolarHBondContact O-N 3.14Å; E212-R231 IonicContact OE1-CZ 2.91Å; E212-R231 IonicContact OE1-NH1 3.04Å; E212-R231 PolarHBondContact OE1-NH1 3.36Å; E212-R231 IonicContact OE1-NH2 2.66Å; E212-R231 PolarHBondContact OE1-NH2 3.47Å
213E85Confident85.7Confident75 Ų7543.2 Ų43.235%0.3523%0.232SC..Hα-helixtrans-64.9-43.3176.3176.757.1-167.800111.5L188 S209 A210 W215 S216 R217L188-E213 HydrophobicContact CD1-CB 4.33Å; L188-E213 HydrophobicContact CD1-CG 4.06Å; L188-E213 HydrophobicContact CD2-CB 4.32Å; L188-E213 HydrophobicContact CD2-CG 3.77Å; S209-E213 WeakPolarHBondContact O-CB 3.34Å; S209-E213 PolarHBondContact O-N 3.07Å; A210-E213 PolarHBondContact O-N 2.75Å; E213-W215 VanDerWaalsContact C-N 3.31Å; E213-W215 PolarHBondContact O-N 3.09Å; E213-S216 WeakPolarHBondContact O-CB 3.06Å; E213-S216 PolarHBondContact O-N 2.6Å; E213-S216 PolarHBondContact O-OG 3.23Å; E213-S216 PolarHBondContact OE2-OG 2.91Å; E213-R217 WeakPolarHBondContact O-CG 2.93Å; E213-R217 PolarHBondContact O-N 3.43Å; E213-R217 VanDerWaalsContact O-N 3.15Å; E213-R217 IonicContact OE1-CZ 3.5Å; E213-R217 IonicContact OE1-NE 3.68Å; E213-R217 PolarHBondContact OE1-NE 3.34Å; E213-R217 IonicContact OE1-NH2 3.36Å; E213-R217 PolarHBondContact OE1-NH2 3.28Å
214F93.1Very high84.2Confident0 Ų051.1 Ų51.10%027%0.267CS..Hα-helixtrans-57.5-46.6173.2177.8-91.9000111.5I167 I181 W184 S185 L188 L190 V202 V204 A210 C211 S216 R217 V218I167-F214 HydrophobicContact CD1-CD1 4.47Å; I167-F214 HydrophobicContact CD1-CE1 4.11Å; I181-F214 HydrophobicContact CG2-CZ 4.06Å; W184-F214 HydrophobicContact CB-CD2 4.05Å; W184-F214 HydrophobicContact CB-CE2 4.24Å; S185-F214 WeakPolarHBondContact OG-CE2 3.32Å; L188-F214 HydrophobicContact CD1-CB 3.67Å; L188-F214 HydrophobicContact CD1-CD2 4.38Å; L190-F214 HydrophobicContact CD1-CB 3.45Å; L190-F214 VanDerWaalsContact CD1-CB 3.45Å; L190-F214 HydrophobicContact CD1-CD2 4.03Å; L190-F214 HydrophobicContact CD1-CG 3.81Å; V202-F214 HydrophobicContact CG1-CE1 4.04Å; V202-F214 HydrophobicContact CG1-CZ 4.06Å; V204-F214 HydrophobicContact CB-CD1 4.3Å; V204-F214 HydrophobicContact CB-CE1 4.39Å; V204-F214 HydrophobicContact CG1-CD1 3.74Å; V204-F214 HydrophobicContact CG1-CD2 4.31Å; V204-F214 HydrophobicContact CG1-CE1 3.48Å; V204-F214 VanDerWaalsContact CG1-CE1 3.48Å; V204-F214 HydrophobicContact CG1-CE2 4.09Å; V204-F214 HydrophobicContact CG1-CG 4.14Å; V204-F214 HydrophobicContact CG1-CZ 3.66Å; V204-F214 HydrophobicContact CG2-CD1 3.67Å; V204-F214 HydrophobicContact CG2-CE1 4Å; V204-F214 HydrophobicContact CG2-CG 4.37Å; A210-F214 WeakPolarHBondContact O-CB 3.25Å; A210-F214 PolarHBondContact O-N 2.94Å; C211-F214 PolarHBondContact O-N 3.06Å; F214-S216 VanDerWaalsContact C-N 3.33Å; F214-S216 PolarHBondContact O-N 3.27Å; F214-R217 PolarHBondContact O-N 2.92Å; F214-V218 HydrophobicContact CD1-CG2 4.07Å; F214-V218 HydrophobicContact CD2-CG2 4.37Å; F214-V218 HydrophobicContact CE1-CB 4.42Å; F214-V218 HydrophobicContact CE1-CG2 3.65Å; F214-V218 HydrophobicContact CE2-CG2 3.96Å; F214-V218 HydrophobicContact CG-CG2 4.42Å; F214-V218 HydrophobicContact CZ-CG2 3.59Å; F214-V218 WeakPolarHBondContact O-CB 3.38Å; F214-V218 WeakPolarHBondContact O-CG2 3.01Å; F214-V218 PolarHBondContact O-N 2.98Å
215W92Very high83.1Confident36 Ų3656.4 Ų56.414%0.13629%0.29CS..Hα-helixtrans-63.9-37.7177.5175.5-123.8000112.4L165 I167 C211 E212 E213 R217 V218 K219 I226 I228L165-W215 HydrophobicContact CD1-CB 4.02Å; I167-W215 HydrophobicContact CD1-CE3 3.78Å; I167-W215 HydrophobicContact CD1-CZ3 4.18Å; I167-W215 HydrophobicContact CG1-CE3 4.13Å; I167-W215 HydrophobicContact CG1-CZ3 4.18Å; I167-W215 HydrophobicContact CG2-CE3 4.45Å; I167-W215 HydrophobicContact CG2-CZ3 3.74Å; C211-W215 WeakPolarHBondContact O-CB 3.43Å; C211-W215 PolarHBondContact O-N 3.23Å; E212-W215 PolarHBondContact O-N 3.45Å; E213-W215 VanDerWaalsContact C-N 3.31Å; E213-W215 PolarHBondContact O-N 3.09Å; W215-R217 VanDerWaalsContact C-N 3.3Å; W215-R217 PolarHBondContact O-N 3.12Å; W215-V218 PolarHBondContact O-N 3.3Å; W215-K219 HydrophobicContact CD2-CB 4.15Å; W215-K219 HydrophobicContact CE3-CB 4.19Å; W215-K219 HydrophobicContact CH2-CB 3.89Å; W215-K219 HydrophobicContact CZ2-CB 3.84Å; W215-K219 HydrophobicContact CZ2-CD 4.49Å; W215-K219 HydrophobicContact CZ3-CB 4.07Å; W215-K219 VanDerWaalsContact O-CB 3.3Å; W215-K219 WeakPolarHBondContact O-CB 3.48Å; W215-K219 WeakPolarHBondContact O-CD 3.17Å; W215-K219 VanDerWaalsContact O-CG 3.27Å; W215-K219 WeakPolarHBondContact O-CG 3.43Å; W215-K219 PolarHBondContact O-N 2.95Å; W215-I226 HydrophobicContact CH2-CD1 4.35Å; W215-I226 HydrophobicContact CH2-CG1 3.93Å; W215-I226 HydrophobicContact CH2-CG2 4.23Å; W215-I226 HydrophobicContact CZ3-CD1 3.85Å; W215-I226 HydrophobicContact CZ3-CG1 3.84Å; W215-I228 HydrophobicContact CD2-CD1 3.86Å; W215-I228 HydrophobicContact CD2-CG1 3.97Å; W215-I228 HydrophobicContact CE3-CG1 4.23Å; W215-I228 HydrophobicContact CG-CD1 3.91Å; W215-I228 HydrophobicContact CH2-CG1 4.25Å; W215-I228 HydrophobicContact CZ2-CD1 4.3Å; W215-I228 HydrophobicContact CZ2-CG1 3.98Å; W215-I228 HydrophobicContact CZ3-CG1 4.37Å
216S80.6Confident82.9Confident38 Ų3858 Ų5827%0.26630%0.298SS..Hα-helixtrans-58.3-42.7177.893.40000111.5E212 E213 F214 K219E212-S216 WeakPolarHBondContact O-CB 3.46Å; E212-S216 PolarHBondContact O-N 3.14Å; E213-S216 WeakPolarHBondContact O-CB 3.06Å; E213-S216 PolarHBondContact O-N 2.6Å; E213-S216 PolarHBondContact O-OG 3.23Å; E213-S216 PolarHBondContact OE2-OG 2.91Å; F214-S216 VanDerWaalsContact C-N 3.33Å; F214-S216 PolarHBondContact O-N 3.27Å; S216-K219 WeakPolarHBondContact O-CG 3.07Å
217R83.6Confident82.1Confident56 Ų5660 Ų6021%0.21131%0.308CS..Hα-helixtrans-75-44.4177.9-62.2179.8-173.9-167.25.7112.9W184 E187 E213 F214 W215 V220W184-R217 HydrophobicContact CD2-CB 4.07Å; W184-R217 HydrophobicContact CE3-CB 3.71Å; W184-R217 HydrophobicContact CH2-CB 3.99Å; W184-R217 HydrophobicContact CZ2-CB 4.37Å; W184-R217 HydrophobicContact CZ3-CB 3.67Å; E187-R217 IonicContact OE1-CZ 2.75Å; E187-R217 IonicContact OE1-NH1 2.78Å; E187-R217 PolarHBondContact OE1-NH1 3.07Å; E187-R217 IonicContact OE1-NH2 2.65Å; E187-R217 PolarHBondContact OE1-NH2 2.76Å; E187-R217 IonicContact OE2-NH1 2.81Å; E187-R217 PolarHBondContact OE2-NH1 3.37Å; E213-R217 WeakPolarHBondContact O-CG 2.93Å; E213-R217 PolarHBondContact O-N 3.43Å; E213-R217 VanDerWaalsContact O-N 3.15Å; E213-R217 IonicContact OE1-CZ 3.5Å; E213-R217 IonicContact OE1-NE 3.68Å; E213-R217 PolarHBondContact OE1-NE 3.34Å; E213-R217 IonicContact OE1-NH2 3.36Å; E213-R217 PolarHBondContact OE1-NH2 3.28Å; F214-R217 PolarHBondContact O-N 2.92Å; W215-R217 VanDerWaalsContact C-N 3.3Å; W215-R217 PolarHBondContact O-N 3.12Å; R217-V220 WeakPolarHBondContact O-CG2 3.38Å
218V82.8Confident81.9Confident0 Ų060 Ų600%031%0.305CS..Hα-helixtrans-68.2-41.2-176.5171.40000111.6I181 W184 F214 W215 V220 L221 W223 I226I181-V218 HydrophobicContact CG1-CG2 4.28Å; W184-V218 HydrophobicContact CE3-CG2 3.8Å; W184-V218 HydrophobicContact CZ3-CG2 3.92Å; F214-V218 HydrophobicContact CD1-CG2 4.07Å; F214-V218 HydrophobicContact CD2-CG2 4.37Å; F214-V218 HydrophobicContact CE1-CB 4.42Å; F214-V218 HydrophobicContact CE1-CG2 3.65Å; F214-V218 HydrophobicContact CE2-CG2 3.96Å; F214-V218 HydrophobicContact CG-CG2 4.42Å; F214-V218 HydrophobicContact CZ-CG2 3.59Å; F214-V218 WeakPolarHBondContact O-CB 3.38Å; F214-V218 WeakPolarHBondContact O-CG2 3.01Å; F214-V218 PolarHBondContact O-N 2.98Å; W215-V218 PolarHBondContact O-N 3.3Å; V218-V220 VanDerWaalsContact C-N 3.25Å; V218-V220 PolarHBondContact O-N 2.6Å; V218-L221 PolarHBondContact O-N 3.26Å; V218-W223 HydrophobicContact CG1-CZ2 3.86Å; V218-W223 PolarHBondContact O-NE1 3.43Å; V218-I226 HydrophobicContact CG1-CD1 3.74Å
219K83.6Confident81.6Confident102 Ų10261.8 Ų61.844%0.44331%0.309SS..Hα-helixtrans-65.5-24.2-173.876.7-168-179.3-169.80114.2W215 S216W215-K219 HydrophobicContact CD2-CB 4.15Å; W215-K219 HydrophobicContact CE3-CB 4.19Å; W215-K219 HydrophobicContact CH2-CB 3.89Å; W215-K219 HydrophobicContact CZ2-CB 3.84Å; W215-K219 HydrophobicContact CZ2-CD 4.49Å; W215-K219 HydrophobicContact CZ3-CB 4.07Å; W215-K219 VanDerWaalsContact O-CB 3.3Å; W215-K219 WeakPolarHBondContact O-CB 3.48Å; W215-K219 WeakPolarHBondContact O-CD 3.17Å; W215-K219 VanDerWaalsContact O-CG 3.27Å; W215-K219 WeakPolarHBondContact O-CG 3.43Å; W215-K219 PolarHBondContact O-N 2.95Å; S216-K219 WeakPolarHBondContact O-CG 3.07Å
220V70.9Confident81.4Confident111 Ų11160.2 Ų60.267%0.67329%0.291SS*.THydrogen-bonded Turntrans-86-7.9-178.1-61.80000113.7R217 V218R217-V220 WeakPolarHBondContact O-CG2 3.38Å; V218-V220 VanDerWaalsContact C-N 3.25Å; V218-V220 PolarHBondContact O-N 2.6Å
221L71.6Confident81.3Confident40 Ų4063.6 Ų63.621%0.20930%0.301CS..SBendtrans-66.2166.6171.3-59.1177.1000111.2K177 N180 W184 V218 W223K177-L221 HydrophobicContact CB-CD1 4.39Å; K177-L221 HydrophobicContact CG-CD1 4.17Å; N180-L221 HydrophobicContact CB-CD1 4.43Å; W184-L221 HydrophobicContact CH2-CD1 3.97Å; W184-L221 HydrophobicContact CH2-CD2 3.98Å; W184-L221 HydrophobicContact CH2-CG 4.15Å; W184-L221 HydrophobicContact CZ3-CD1 3.81Å; W184-L221 HydrophobicContact CZ3-CG 4.29Å; V218-L221 PolarHBondContact O-N 3.26Å; L221-W223 HydrophobicContact CB-CZ2 4.31Å; L221-W223 HydrophobicContact CD1-CZ2 4.3Å; L221-W223 PolarHBondContact O-N 3.44Å
222T75.9Confident81.2Confident116 Ų11665.5 Ų65.571%0.71231%0.31SS*.  trans-7586.7-174.448.10000113K177K177-T222 VanDerWaalsContact CE-O 3.26Å; K177-T222 WeakPolarHBondContact CE-O 3.46Å; K177-T222 PolarHBondContact NZ-O 3.11Å
223W80.1Confident80.9Confident41 Ų4165.9 Ų65.916%0.15531%0.314CS..  trans-104140.7-179.6-56.2100.4000113.3I172 K177 I181 V218 L221 I226I172-W223 HydrophobicContact CG1-CH2 3.85Å; I172-W223 HydrophobicContact CG1-CZ3 3.62Å; K177-W223 HydrophobicContact CD-CE3 4.41Å; K177-W223 HydrophobicContact CD-CH2 3.88Å; K177-W223 HydrophobicContact CD-CZ2 4.09Å; K177-W223 HydrophobicContact CD-CZ3 4.05Å; I181-W223 HydrophobicContact CD1-CH2 4.32Å; V218-W223 HydrophobicContact CG1-CZ2 3.86Å; V218-W223 PolarHBondContact O-NE1 3.43Å; L221-W223 HydrophobicContact CB-CZ2 4.31Å; L221-W223 HydrophobicContact CD1-CZ2 4.3Å; L221-W223 PolarHBondContact O-N 3.44Å; W223-I226 HydrophobicContact CB-CB 3.96Å; W223-I226 HydrophobicContact CB-CG2 3.87Å; W223-I226 VanDerWaalsContact CD1-CG2 3.48Å; W223-I226 HydrophobicContact CD2-CB 3.99Å; W223-I226 HydrophobicContact CD2-CD1 3.7Å; W223-I226 HydrophobicContact CD2-CG1 4.36Å; W223-I226 HydrophobicContact CD2-CG2 4.34Å; W223-I226 HydrophobicContact CE3-CB 4.48Å; W223-I226 HydrophobicContact CE3-CD1 4.2Å; W223-I226 HydrophobicContact CG-CB 3.71Å; W223-I226 HydrophobicContact CG-CD1 4.12Å; W223-I226 HydrophobicContact CG-CG2 3.63Å; W223-I226 HydrophobicContact CH2-CD1 4.17Å; W223-I226 HydrophobicContact CZ2-CD1 3.68Å; W223-I226 HydrophobicContact CZ3-CD1 4.4Å
224K65.1Low80.7Confident166 Ų16665.1 Ų65.172%0.72231%0.311SS*.SBendtrans-69.6-36.4164.3-176.7168.7179.4179.30111.8H170H170-K224 HydrophobicContact CB-CB 4.26Å
225K73.1Confident80Confident111 Ų11168.7 Ų68.748%0.48333%0.334SS..SBendtrans-160.5132.5172-170.3177.1-172.9178.60108.1S169 H170 M227S169-K225 CarbonylContact C-O 3.59Å; S169-K225 VanDerWaalsContact CA-O 3.25Å; S169-K225 WeakPolarHBondContact CA-O 3.26Å; H170-K225 HydrophobicContact CB-CB 4.15Å; H170-K225 PolarHBondContact N-O 3.47Å; K225-M227 HydrophobicContact CD-CE 4.14Å; K225-M227 VanDerWaalsContact CE-CE 3.44Å
226I86.1Confident78.9Confident35 Ų3568.3 Ų68.318%0.17933%0.334CS..EExtended strand (participates in β ladder)trans-144.3141.3169.9-167.4167.1000109.4I167 Y168 W215 V218 W223I167-I226 HydrophobicContact CG2-CD1 3.89Å; I167-I226 HydrophobicContact CG2-CG1 3.73Å; Y168-I226 CarbonylContact O-C 3.55Å; Y168-I226 VanDerWaalsContact O-CA 3.31Å; Y168-I226 WeakPolarHBondContact O-CA 3.41Å; W215-I226 HydrophobicContact CH2-CD1 4.35Å; W215-I226 HydrophobicContact CH2-CG1 3.93Å; W215-I226 HydrophobicContact CH2-CG2 4.23Å; W215-I226 HydrophobicContact CZ3-CD1 3.85Å; W215-I226 HydrophobicContact CZ3-CG1 3.84Å; V218-I226 HydrophobicContact CG1-CD1 3.74Å; W223-I226 HydrophobicContact CB-CB 3.96Å; W223-I226 HydrophobicContact CB-CG2 3.87Å; W223-I226 VanDerWaalsContact CD1-CG2 3.48Å; W223-I226 HydrophobicContact CD2-CB 3.99Å; W223-I226 HydrophobicContact CD2-CD1 3.7Å; W223-I226 HydrophobicContact CD2-CG1 4.36Å; W223-I226 HydrophobicContact CD2-CG2 4.34Å; W223-I226 HydrophobicContact CE3-CB 4.48Å; W223-I226 HydrophobicContact CE3-CD1 4.2Å; W223-I226 HydrophobicContact CG-CB 3.71Å; W223-I226 HydrophobicContact CG-CD1 4.12Å; W223-I226 HydrophobicContact CG-CG2 3.63Å; W223-I226 HydrophobicContact CH2-CD1 4.17Å; W223-I226 HydrophobicContact CZ2-CD1 3.68Å; W223-I226 HydrophobicContact CZ3-CD1 4.4Å
227M75.4Confident77.8Confident41 Ų4171.7 Ų71.720%0.20235%0.349CS..EExtended strand (participates in β ladder)trans-160.6150.7178.558.9-167.9154.200110.9I167 Y168 K225 R229I167-M227 WeakPolarHBondContact CA-O 3.42Å; Y168-M227 HydrophobicContact CD1-CE 3.41Å; Y168-M227 VanDerWaalsContact CD1-CE 3.41Å; Y168-M227 HydrophobicContact CE1-CE 3.96Å; Y168-M227 HydrophobicContact CG-CE 4.14Å; Y168-M227 PolarHBondContact N-O 3.02Å; Y168-M227 PolarHBondContact O-N 3.49Å; K225-M227 HydrophobicContact CD-CE 4.14Å; K225-M227 VanDerWaalsContact CE-CE 3.44Å; M227-R229 VanDerWaalsContact CE-NE 3.27Å; M227-R229 VanDerWaalsContact CE-NH2 3.35Å; M227-R229 HydrophobicContact CG-CG 4.49Å; M227-R229 PolarHBondContact O-N 3.13Å
228I85Confident76.5Confident54 Ų5479.5 Ų79.528%0.27738%0.378SS..EExtended strand (participates in β ladder)trans-73.3121.4163-60.4170.6000107.1L165 I167 W215 H230 R231L165-I228 HydrophobicContact CD1-CD1 4.35Å; L165-I228 HydrophobicContact CD2-CD1 4.34Å; I167-I228 HydrophobicContact CG1-CG1 4.18Å; W215-I228 HydrophobicContact CD2-CD1 3.86Å; W215-I228 HydrophobicContact CD2-CG1 3.97Å; W215-I228 HydrophobicContact CE3-CG1 4.23Å; W215-I228 HydrophobicContact CG-CD1 3.91Å; W215-I228 HydrophobicContact CH2-CG1 4.25Å; W215-I228 HydrophobicContact CZ2-CD1 4.3Å; W215-I228 HydrophobicContact CZ2-CG1 3.98Å; W215-I228 HydrophobicContact CZ3-CG1 4.37Å; I228-H230 WeakPolarHBondContact CG2-O 3.28Å; I228-R231 HydrophobicContact CG2-CB 4.38Å
229R82.2Confident74.8Confident102 Ų10286.6 Ų86.639%0.38541%0.412SS..EExtended strand (participates in β ladder)trans-87.3-38.6174.7-76.3-63.7-156176.58.3112.1W166 Y168 M227 I293 Y294W166-R229 PolarHBondContact O-N 2.98Å; Y168-R229 VanDerWaalsContact CB-CG 3.42Å; Y168-R229 HydrophobicContact CG-CG 4.32Å; M227-R229 VanDerWaalsContact CE-NE 3.27Å; M227-R229 VanDerWaalsContact CE-NH2 3.35Å; M227-R229 HydrophobicContact CG-CG 4.49Å; M227-R229 PolarHBondContact O-N 3.13Å; R229-I293 HydrophobicContact CB-CG2 4.39Å; R229-Y294 HydrophobicContact CB-CD1 4.04Å; R229-Y294 HydrophobicContact CB-CE1 3.92Å; R229-Y294 HydrophobicContact CG-CD1 3.76Å; R229-Y294 HydrophobicContact CG-CE1 3.89Å
230H82.8Confident73.1Confident60 Ų6085.6 Ų85.628%0.27843%0.43SS..EExtended strand (participates in β ladder)trans-144.8150.6179.5-16856000110.5W166 I228 E232 I293W166-H230 HydrophobicContact CB-CB 3.88Å; W166-H230 WeakPolarHBondContact CB-O 3.43Å; W166-H230 AromaticContact CD1-CD2 3.59Å; W166-H230 HydrophobicContact CG-CB 4.11Å; W166-H230 PolarHBondContact N-O 3.16Å; W166-H230 AromaticContact NE1-CD2 3.91Å; W166-H230 PolarHBondContact O-N 3.35Å; I228-H230 WeakPolarHBondContact CG2-O 3.28Å; H230-E232 WeakPolarHBondContact NE2-CG 3.44Å; H230-I293 HydrophobicContact CB-CD1 4.22Å; H230-I293 HydrophobicContact CB-CG2 4.01Å
231R85.4Confident71.6Confident84 Ų8487 Ų8732%0.31743%0.434SS..EExtended strand (participates in β ladder)trans-140.7129.2178.2173.3177.3-172.7152.119.3108.1R164 L165 E212 I228 D233R164-R231 WeakPolarHBondContact O-CA 3.19Å; L165-R231 HydrophobicContact CD2-CB 4.18Å; L165-R231 HydrophobicContact CD2-CG 3.8Å; E212-R231 IonicContact OE1-CZ 2.91Å; E212-R231 IonicContact OE1-NH1 3.04Å; E212-R231 PolarHBondContact OE1-NH1 3.36Å; E212-R231 IonicContact OE1-NH2 2.66Å; E212-R231 PolarHBondContact OE1-NH2 3.47Å; I228-R231 HydrophobicContact CG2-CB 4.38Å; R231-D233 IonicContact CZ-OD1 2.61Å; R231-D233 IonicContact CZ-OD2 2.81Å; R231-D233 VanDerWaalsContact CZ-OD2 3.31Å; R231-D233 IonicContact NE-OD1 2.88Å; R231-D233 PolarHBondContact NE-OD1 3.04Å; R231-D233 IonicContact NE-OD2 3.52Å; R231-D233 PolarHBondContact NE-OD2 3.23Å; R231-D233 IonicContact NH2-OD1 3.72Å; R231-D233 PolarHBondContact NH2-OD1 2.71Å; R231-D233 IonicContact NH2-OD2 2.79Å
232E82.8Confident70.4Confident41 Ų4192.6 Ų92.619%0.19246%0.464CS..EExtended strand (participates in β ladder)trans-111.8126170.4-56.8170.1-125.300107.7S163 R164 W166 H230S163-E232 CarbonylContact C-O 3.49Å; S163-E232 VanDerWaalsContact CA-O 3.23Å; S163-E232 WeakPolarHBondContact CA-O 3.4Å; S163-E232 PolarHBondContact OG-O 3.41Å; R164-E232 HydrophobicContact CB-CB 4.21Å; R164-E232 WeakPolarHBondContact CD-OE1 3.33Å; R164-E232 IonicContact CZ-OE1 3.47Å; R164-E232 IonicContact CZ-OE2 2.89Å; R164-E232 PolarHBondContact N-O 3.33Å; R164-E232 IonicContact NH1-OE1 3.87Å; R164-E232 PolarHBondContact NH1-OE1 3.31Å; R164-E232 IonicContact NH1-OE2 2.93Å; R164-E232 PolarHBondContact NH1-OE2 3.45Å; R164-E232 PolarHBondContact O-N 2.65Å; W166-E232 PolarHBondContact NE1-OE1 2.98Å; H230-E232 WeakPolarHBondContact NE2-CG 3.44Å
233D82.4Confident68.6Low75 Ų7592.1 Ų92.140%0.40147%0.465SS..EExtended strand (participates in β ladder)trans-120.7123.1173.1-70.2-22.3000108.7V161 F162 S163 R231V161-D233 HydrophobicContact CG1-CB 4.13Å; F162-D233 WeakPolarHBondContact O-CA 3.43Å; S163-D233 WeakPolarHBondContact CB-OD1 3.39Å; S163-D233 PolarHBondContact OG-OD1 2.99Å; R231-D233 IonicContact CZ-OD1 2.61Å; R231-D233 IonicContact CZ-OD2 2.81Å; R231-D233 VanDerWaalsContact CZ-OD2 3.31Å; R231-D233 IonicContact NE-OD1 2.88Å; R231-D233 PolarHBondContact NE-OD1 3.04Å; R231-D233 IonicContact NE-OD2 3.52Å; R231-D233 PolarHBondContact NE-OD2 3.23Å; R231-D233 IonicContact NH2-OD1 3.72Å; R231-D233 PolarHBondContact NH2-OD1 2.71Å; R231-D233 IonicContact NH2-OD2 2.79Å
234I80.7Confident66.8Low58 Ų5898.1 Ų98.130%0.29750%0.501SS..EExtended strand (participates in β ladder)trans-119.2116.3-175.7-55.2168.3000108V161 F162 L252V161-I234 WeakPolarHBondContact CA-O 3.36Å; F162-I234 HydrophobicContact CB-CB 4.4Å; F162-I234 HydrophobicContact CD1-CD1 4.28Å; F162-I234 PolarHBondContact N-O 3.37Å; F162-I234 PolarHBondContact O-N 2.85Å; I234-L252 HydrophobicContact CB-CD1 4.3Å; I234-L252 HydrophobicContact CD1-CD1 4.48Å; I234-L252 HydrophobicContact CD1-CD2 4.11Å; I234-L252 HydrophobicContact CG2-CD1 3.93Å; I234-L252 HydrophobicContact CG2-CD2 4.23Å
235T78.9Confident65.7Low76 Ų7695.8 Ų95.847%0.46650%0.5SS..EExtended strand (participates in β ladder)trans-86.4121.717954.80000110.7V161 N237V161-T235 HydrophobicContact CG2-CG2 4.14Å; T235-N237 PolarHBondContact O-N 3.41Å
236L67.8Low64.4Low27 Ų2797 Ų9714%0.14152%0.517CS..  trans-77.9106.4172.6-64.7173.6000109.6E160 R238 L249 L252E160-L236 HydrophobicContact CB-CD1 3.99Å; E160-L236 WeakPolarHBondContact O-CB 3.23Å; E160-L236 PolarHBondContact O-N 2.73Å; L236-R238 PolarHBondContact O-N 2.87Å; L236-L249 HydrophobicContact CD1-CD2 3.54Å; L236-L249 HydrophobicContact CD1-CG 3.9Å; L236-L252 HydrophobicContact CD2-CD1 3.83Å
237N57.6Low62.7Low109 Ų109101.5 Ų101.558%0.58354%0.537SS*.  trans-85.1105.9175.5-75.2-31.6000109.8T235 Q239T235-N237 PolarHBondContact O-N 3.41Å; N237-Q239 VanDerWaalsContact C-N 3.3Å; N237-Q239 PolarHBondContact O-N 3.03Å; N237-Q239 VanDerWaalsContact O-N 3.08Å
238R56Low61.9Low220 Ų220101.9 Ų101.983%0.8354%0.544SS*.  trans-81.776.8168.3-162.3179.8-169.4168.43.5109.5L236L236-R238 PolarHBondContact O-N 2.87Å
239Q46.5Very low60.7Low149 Ų149101.8 Ų101.870%0.69654%0.544SS*.  trans-127.1124.9164.1-93.8-179.616.400110.8N237N237-Q239 VanDerWaalsContact C-N 3.3Å; N237-Q239 PolarHBondContact O-N 3.03Å; N237-Q239 VanDerWaalsContact O-N 3.08Å
240G48.7Very low59.9Low81 Ų81103 Ų10384%0.83556%0.558SS**  trans-74.4132.4-176.200000111.9
241D39.4Very low59.5Low142 Ų142103.7 Ų103.776%0.75957%0.57SS**  -155152.5127.7-145.6-18.2000108.6S243D241-S243 PolarHBondContact O-N 2.85Å
242N45.5Very low59.2Low157 Ų157101 Ų10184%0.8456%0.561SS**SBendtrans-4285.8-169.9-64.5-65.3000117.8
243S39.3Very low59.2Low105 Ų105101.7 Ų101.773%0.73456%0.564SS**  trans-155.2136.1149.8840000112.3D241 T245D241-S243 PolarHBondContact O-N 2.85Å; S243-T245 PolarHBondContact O-N 3.42Å
244N42.5Very low59.3Low167 Ų167101.5 Ų101.589%0.89356%0.56SS**SBendtrans-61.394.4-179.7-75.5-30.4000112.6
245T41.3Very low59.6Low117 Ų11799 Ų9972%0.71855%0.547SS*.  trans-170.9105.7139.417.50000107.6S243 E247S243-T245 PolarHBondContact O-N 3.42Å; T245-E247 PolarHBondContact O-N 2.92Å
246V45.3Very low59.9Low137 Ų137101.5 Ų101.583%0.8356%0.562SS**  trans-63.5106.7158.1-178.40000104.2S248V246-S248 PolarHBondContact O-N 3.03Å
247E50.6Low60.9Low129 Ų129102.3 Ų102.360%0.60358%0.577SS**  trans-62.482.5165.3-71.5-176.8158.900106.3T245T245-E247 PolarHBondContact O-N 2.92Å
248S59.1Low62.6Low50 Ų5098.8 Ų98.835%0.3556%0.557SS.*  trans-65.2150.7174.770.90000107.6V246 D250 S251V246-S248 PolarHBondContact O-N 3.03Å; S248-D250 PolarHBondContact O-N 3.39Å; S248-S251 WeakPolarHBondContact O-CB 3.19Å; S248-S251 PolarHBondContact O-N 3.38Å; S248-S251 PolarHBondContact O-OG 3.34Å
249L61Low64.3Low52 Ų5293 Ų9327%0.27254%0.539SS..Hα-helixtrans-46.2-38.1174-73160.3000111.2F162 L236 S251 L252 H253F162-L249 HydrophobicContact CB-CD2 4.26Å; F162-L249 HydrophobicContact CD2-CD2 3.9Å; L236-L249 HydrophobicContact CD1-CD2 3.54Å; L236-L249 HydrophobicContact CD1-CG 3.9Å; L249-S251 PolarHBondContact O-N 3.3Å; L249-L252 WeakPolarHBondContact O-CB 3.33Å; L249-L252 PolarHBondContact O-N 2.97Å; L249-H253 PolarHBondContact O-CD2 3.06Å; L249-H253 PolarHBondContact O-N 3.47Å
250D64.8Low66.4Low127 Ų12787.9 Ų87.968%0.67952%0.515SS*.Hα-helixtrans-56-30.2176.6-56.1-28.1000114.3S248 L252 H253S248-D250 PolarHBondContact O-N 3.39Å; D250-L252 VanDerWaalsContact C-N 3.31Å; D250-H253 PolarHBondContact O-N 2.87Å
251S74.6Confident68.3Low75 Ų7584.5 Ų84.552%0.52448%0.479SS..Hα-helixtrans-75.2-19177.9670000113.7S248 L249S248-S251 WeakPolarHBondContact O-CB 3.19Å; S248-S251 PolarHBondContact O-N 3.38Å; S248-S251 PolarHBondContact O-OG 3.34Å; L249-S251 PolarHBondContact O-N 3.3Å
252L78.8Confident70.2Confident28 Ų2884.7 Ų84.715%0.14748%0.477CS..Hα-helixtrans-89.1-17.6176.5-62.1178.7000112.7F162 R164 I234 L236 L249 D250 K254F162-L252 HydrophobicContact CB-CD1 3.59Å; F162-L252 HydrophobicContact CD1-CB 3.93Å; F162-L252 HydrophobicContact CD1-CD1 4.22Å; F162-L252 HydrophobicContact CD2-CB 4.11Å; F162-L252 HydrophobicContact CD2-CD1 4.32Å; F162-L252 HydrophobicContact CE1-CB 3.97Å; F162-L252 HydrophobicContact CE2-CB 4.14Å; F162-L252 HydrophobicContact CG-CB 3.99Å; F162-L252 HydrophobicContact CG-CD1 3.81Å; F162-L252 HydrophobicContact CZ-CB 4.07Å; R164-L252 PolarHBondContact NH2-O 3.31Å; R164-L252 VanDerWaalsContact NH2-O 3.08Å; I234-L252 HydrophobicContact CB-CD1 4.3Å; I234-L252 HydrophobicContact CD1-CD1 4.48Å; I234-L252 HydrophobicContact CD1-CD2 4.11Å; I234-L252 HydrophobicContact CG2-CD1 3.93Å; I234-L252 HydrophobicContact CG2-CD2 4.23Å; L236-L252 HydrophobicContact CD2-CD1 3.83Å; L249-L252 WeakPolarHBondContact O-CB 3.33Å; L249-L252 PolarHBondContact O-N 2.97Å; D250-L252 VanDerWaalsContact C-N 3.31Å; L252-K254 PolarHBondContact O-N 3.06Å
253H82.6Confident71.9Confident54 Ų5478.2 Ų78.225%0.2544%0.441CS..  trans-67.2119.2175.3-79.2-90.2000110.5F162 S191 E205 L249 D250F162-H253 AromaticContact CE2-CD2 3.67Å; F162-H253 AromaticContact CE2-CE1 3.88Å; F162-H253 AromaticContact CE2-NE2 3.54Å; S191-H253 PolarHBondContact OG-CE1 3.48Å; S191-H253 VanDerWaalsContact OG-CE1 3.24Å; S191-H253 PolarHBondContact OG-ND1 3.36Å; E205-H253 VanDerWaalsContact OE1-CA 3.29Å; E205-H253 WeakPolarHBondContact OE1-CA 3.39Å; E205-H253 IonicContact OE1-ND1 3.54Å; L249-H253 PolarHBondContact O-CD2 3.06Å; L249-H253 PolarHBondContact O-N 3.47Å; D250-H253 PolarHBondContact O-N 2.87Å
254K84.6Confident73.3Confident72 Ų7277.9 Ų77.931%0.31343%0.432SS..SBendtrans-89.4-19.5169.7-69.2-173.9-177.9-173.80112R164 E205 L252 K285 G286 C287R164-K254 VanDerWaalsContact NH1-CE 3.27Å; E205-K254 PolarHBondContact OE1-N 2.7Å; E205-K254 PolarHBondContact OE2-N 3.2Å; L252-K254 PolarHBondContact O-N 3.06Å; K254-K285 WeakPolarHBondContact CD-O 3.45Å; K254-G286 PolarHBondContact NZ-O 3.33Å; K254-C287 WeakPolarHBondContact CD-SG 3.18Å; K254-C287 PolarHBondContact NZ-SG 3.11Å
255F87.8Confident74.3Confident5 Ų573.7 Ų73.72%0.02241%0.413CS..SBendtrans-116.9135.7-178.9-56.7-82.2000110.9W166 S191 F193 E205 G257 F281 K285W166-F255 HydrophobicContact CH2-CE2 4.21Å; W166-F255 HydrophobicContact CH2-CZ 4.04Å; S191-F255 WeakPolarHBondContact CB-O 3.37Å; S191-F255 PolarHBondContact OG-O 3.16Å; F193-F255 HydrophobicContact CD1-CD1 4.07Å; F193-F255 AromaticContact CD1-CE1 3.48Å; F193-F255 HydrophobicContact CD1-CE1 3.48Å; F193-F255 VanDerWaalsContact CD1-CE1 3.48Å; F193-F255 HydrophobicContact CD1-CE2 4.41Å; F193-F255 AromaticContact CD1-CZ 3.69Å; F193-F255 HydrophobicContact CD1-CZ 3.69Å; F193-F255 AromaticContact CE1-CE1 3.78Å; F193-F255 HydrophobicContact CE1-CE1 3.78Å; F193-F255 HydrophobicContact CE1-CE2 4.45Å; F193-F255 AromaticContact CE1-CZ 3.61Å; F193-F255 HydrophobicContact CE1-CZ 3.61Å; E205-F255 HydrophobicContact CG-CD2 4.36Å; E205-F255 WeakPolarHBondContact OE1-CD2 3.15Å; E205-F255 PolarHBondContact OE1-N 3.21Å; F255-G257 PolarHBondContact O-N 3.33Å; F255-F281 HydrophobicContact CD1-CZ 4.27Å; F255-F281 AromaticContact CE1-CE1 3.81Å; F255-F281 HydrophobicContact CE1-CE1 3.81Å; F255-F281 AromaticContact CE1-CZ 3.87Å; F255-F281 HydrophobicContact CE1-CZ 3.87Å; F255-K285 HydrophobicContact CD1-CD 4.43Å; F255-K285 HydrophobicContact CD1-CG 4.3Å; F255-K285 HydrophobicContact CE1-CB 4.16Å; F255-K285 HydrophobicContact CE1-CD 4.45Å; F255-K285 HydrophobicContact CE1-CG 3.84Å; F255-K285 HydrophobicContact CZ-CB 4.4Å
256T85.1Confident75.2Confident129 Ų12973.1 Ų73.179%0.79140%0.402SS*.SBendtrans-92.5101.317650.30000109.4
257G88.6Confident75.6Confident43 Ų4369.3 Ų69.344%0.44339%0.391SS..SBendtrans69.8-170.1-173.600000112.6S191 G192 F255S191-G257 CarbonylContact C-O 3.46Å; S191-G257 WeakPolarHBondContact CA-O 3.21Å; S191-G257 WeakPolarHBondContact CB-O 3.49Å; G192-G257 PolarHBondContact N-O 3.44Å; F255-G257 PolarHBondContact O-N 3.33Å
258F93.6Very high75.5Confident36 Ų3671.8 Ų71.816%0.15841%0.409CS..EExtended strand (participates in β ladder)trans-118.4125.9-179.9-170.5-81.2000110.9I181 L182 S185 G192 V202 C203 V204I181-F258 HydrophobicContact CG2-CE1 3.73Å; I181-F258 HydrophobicContact CG2-CZ 3.53Å; L182-F258 HydrophobicContact CD2-CD1 3.82Å; L182-F258 HydrophobicContact CD2-CE1 3.86Å; S185-F258 VanDerWaalsContact CB-CD2 3.5Å; S185-F258 WeakPolarHBondContact OG-CD2 3.42Å; S185-F258 WeakPolarHBondContact OG-CE2 3.46Å; S185-F258 WeakPolarHBondContact OG-CG 3.15Å; S185-F258 WeakPolarHBondContact OG-CZ 3.38Å; G192-F258 WeakPolarHBondContact O-CA 3.39Å; V202-F258 HydrophobicContact CG1-CE2 4.45Å; V202-F258 HydrophobicContact CG1-CZ 4.25Å; C203-F258 WeakPolarHBondContact O-CE2 3.38Å; V204-F258 HydrophobicContact CG1-CD2 4.07Å; V204-F258 HydrophobicContact CG1-CE2 3.55Å
259E91.5Very high75.4Confident97 Ų9779.7 Ų79.745%0.45343%0.431SS..EExtended strand (participates in β ladder)trans-133155.8-176.465.8-175.9175.400114G192 F193 S194G192-E259 PolarHBondContact O-N 3.03Å; F193-E259 CarbonylContact C-O 3.45Å; F193-E259 WeakPolarHBondContact CA-O 3.46Å; F193-E259 HydrophobicContact CB-CG 4.45Å; F193-E259 WeakPolarHBondContact CB-O 3.31Å; S194-E259 PolarHBondContact N-O 3Å
260E90.9Very high75.4Confident43 Ų4378.9 Ų78.920%0.20144%0.435CS..EExtended strand (participates in β ladder)trans-90.8105.1171.6-165.8172.960.100109.7R178 L182 S194 P196 M262R178-E260 WeakPolarHBondContact CB-OE2 3.46Å; R178-E260 WeakPolarHBondContact CG-OE2 3.3Å; R178-E260 IonicContact CZ-OE1 3.42Å; R178-E260 IonicContact CZ-OE2 3.41Å; R178-E260 IonicContact NE-OE1 3.16Å; R178-E260 PolarHBondContact NE-OE1 3.46Å; R178-E260 IonicContact NE-OE2 2.65Å; R178-E260 PolarHBondContact NE-OE2 3.07Å; R178-E260 VanDerWaalsContact NH2-CD 3.32Å; R178-E260 IonicContact NH2-OE1 3.96Å; R178-E260 PolarHBondContact NH2-OE1 3.2Å; R178-E260 IonicContact NH2-OE2 3.48Å; R178-E260 PolarHBondContact NH2-OE2 3.27Å; L182-E260 HydrophobicContact CD1-CB 4.47Å; L182-E260 HydrophobicContact CD2-CB 4.22Å; S194-E260 CarbonylContact O-C 3.56Å; S194-E260 VanDerWaalsContact O-CA 3.31Å; S194-E260 WeakPolarHBondContact O-CA 3.5Å; S194-E260 WeakPolarHBondContact O-CG 3.17Å; P196-E260 HydrophobicContact CG-CG 3.95Å; E260-M262 PolarHBondContact O-N 3.13Å
261A87.4Confident75.1Confident9 Ų976 Ų767%0.07442%0.42CS..  trans-73.9112.1-178.700000110.4F193 S194 F263F193-A261 HydrophobicContact CB-CB 4.48Å; F193-A261 HydrophobicContact CD2-CB 4.07Å; S194-A261 PolarHBondContact O-N 2.74Å; A261-F263 HydrophobicContact CB-CE2 3.9Å; A261-F263 HydrophobicContact CB-CZ 3.84Å
262M80.3Confident74.7Confident146 Ų14676.7 Ų76.772%0.71942%0.415SS*.  trans-105.3101.3175.9-65.3-170.4-65.700110.3E260 M273E260-M262 PolarHBondContact O-N 3.13Å; M262-M273 HydrophobicContact CB-CE 4.48Å
263F79.4Confident74.5Confident21 Ų2176.6 Ų76.69%0.09241%0.413CS..PPolyproline II helixtrans-87.1159.8168.7-51.9-64.6000111.8M195 A261 P265 M273 Q277 L278 F281M195-F263 HydrophobicContact CB-CE2 4.3Å; M195-F263 HydrophobicContact CG-CD2 3.72Å; M195-F263 HydrophobicContact CG-CE2 3.72Å; M195-F263 HydrophobicContact SD-CD2 3.43Å; M195-F263 WeakPolarHBondContact SD-CD2 3.43Å; M195-F263 HydrophobicContact SD-CE2 3.48Å; M195-F263 WeakPolarHBondContact SD-CE2 3.26Å; A261-F263 HydrophobicContact CB-CE2 3.9Å; A261-F263 HydrophobicContact CB-CZ 3.84Å; F263-P265 WeakPolarHBondContact O-CD 3.35Å; F263-M273 HydrophobicContact CB-CB 4.31Å; F263-M273 HydrophobicContact CB-CE 4.07Å; F263-M273 HydrophobicContact CD2-CB 4.32Å; F263-M273 HydrophobicContact CD2-CE 4.42Å; F263-M273 WeakPolarHBondContact O-CE 3.39Å; F263-Q277 HydrophobicContact CB-CB 4.03Å; F263-Q277 HydrophobicContact CD1-CB 3.55Å; F263-Q277 HydrophobicContact CE1-CB 4.29Å; F263-Q277 HydrophobicContact CG-CB 3.96Å; F263-L278 HydrophobicContact CD2-CB 4.44Å; F263-L278 HydrophobicContact CE2-CB 4.05Å; F263-L278 HydrophobicContact CE2-CD1 3.85Å; F263-L278 HydrophobicContact CZ-CB 4.38Å; F263-L278 HydrophobicContact CZ-CD1 4.1Å; F263-F281 HydrophobicContact CE1-CB 3.82Å; F263-F281 HydrophobicContact CE1-CD2 4.48Å; F263-F281 HydrophobicContact CE1-CG 4.15Å; F263-F281 HydrophobicContact CZ-CB 3.85Å; F263-F281 HydrophobicContact CZ-CD1 4.13Å; F263-F281 HydrophobicContact CZ-CD2 4.45Å; F263-F281 AromaticContact CZ-CG 3.9Å; F263-F281 HydrophobicContact CZ-CG 3.9Å
264D68.8Low74.3Confident99 Ų9976.1 Ų76.153%0.52941%0.413SS..PPolyproline II helixtrans-61.3122.3-176.6-69.2-48000111.7H266 D274 Q277D264-H266 PolarHBondContact O-N 2.99Å; D264-H266 PolarHBondContact O-ND1 2.81Å; D264-D274 PolarHBondContact O-N 3.32Å; D264-Q277 VanDerWaalsContact N-OE1 3.09Å; D264-Q277 PolarHBondContact OD2-NE2 2.97Å
265P65.2Low74.1Confident79 Ų7975.8 Ų75.851%0.51341%0.414SS..EExtended strand (participates in β ladder)trans-69.7125.4-176.924.3-30.4000111.3F263 G270F263-P265 WeakPolarHBondContact O-CD 3.35Å; P265-G270 WeakPolarHBondContact CB-O 3.42Å
266H58.8Low73.8Confident104 Ų10477.2 Ų77.248%0.48143%0.431SS..EExtended strand (participates in β ladder)trans-113.8155.3177-76.967.6000112.2D264 H272 D274D264-H266 PolarHBondContact O-N 2.99Å; D264-H266 PolarHBondContact O-ND1 2.81Å; H266-H272 PolarHBondContact N-O 2.88Å; H266-H272 WeakPolarHBondContact O-CB 3.49Å; H266-D274 IonicContact CE1-OD2 3.56Å; H266-D274 IonicContact ND1-OD2 3.93Å
267G54.2Low73.7Confident58 Ų5873.3 Ų73.360%0.59840%0.403SS*.SBendtrans91161.8178.400000115.2R269 G270G267-R269 PolarHBondContact O-N 3.34Å; G267-G270 PolarHBondContact O-N 3.06Å
268N49.2Very low73.5Confident181 Ų18171.3 Ų71.397%0.96838%0.383SS*.THydrogen-bonded Turntrans-52.9-12.4-169.7-88.99.9000117.3
269R57.1Low73.1Confident215 Ų21572.9 Ų72.981%0.81139%0.388SS*.THydrogen-bonded Turntrans-124.34.5-179.9-64.5-172178-179-0.1114G267 N271G267-R269 PolarHBondContact O-N 3.34Å; R269-N271 VanDerWaalsContact O-CG 3.27Å; R269-N271 PolarHBondContact O-N 3.28Å; R269-N271 PolarHBondContact O-ND2 3.46Å
270G59.6Low72.9Confident36 Ų3674 Ų7437%0.37139%0.393SS..SBendtrans60.723.7179.700000115.2P265 G267P265-G270 WeakPolarHBondContact CB-O 3.42Å; G267-G270 PolarHBondContact O-N 3.06Å
271N59Low72.7Confident67 Ų6773.1 Ų73.136%0.35839%0.389SS..  trans-111.7-2.8-172.1-70.4-39.9000113.7Y173 G197 K198 R269Y173-N271 HydrophobicContact CE1-CB 3.95Å; G197-N271 WeakPolarHBondContact CA-O 3.39Å; K198-N271 PolarHBondContact N-O 2.93Å; K198-N271 VanDerWaalsContact N-O 3.13Å; R269-N271 VanDerWaalsContact O-CG 3.27Å; R269-N271 PolarHBondContact O-N 3.28Å; R269-N271 PolarHBondContact O-ND2 3.46Å
272H66.4Low72.6Confident89 Ų8972.8 Ų72.841%0.41239%0.386SS..EExtended strand (participates in β ladder)trans-103123.3172.5-62.881.1000107.5K198 H266K198-H272 PolarHBondContact O-CD2 3.17Å; K198-H272 VanDerWaalsContact O-CD2 3.31Å; H266-H272 PolarHBondContact N-O 2.88Å; H266-H272 WeakPolarHBondContact O-CB 3.49Å
273M75.1Confident72.8Confident25 Ų2570 Ų7012%0.12337%0.374CS..EExtended strand (participates in β ladder)trans-77.9147.1174-55.7-56.3-9000108.8M195 P196 M262 F263 L275M195-M273 HydrophobicContact CE-CB 4.24Å; M195-M273 HydrophobicContact CG-CB 4.15Å; M195-M273 HydrophobicContact CG-CE 4.47Å; M195-M273 HydrophobicContact CG-CG 3.89Å; M195-M273 HydrophobicContact SD-CB 3.69Å; M195-M273 HydrophobicContact SD-CG 4.09Å; P196-M273 WeakPolarHBondContact O-CG 3.19Å; M262-M273 HydrophobicContact CB-CE 4.48Å; F263-M273 HydrophobicContact CB-CB 4.31Å; F263-M273 HydrophobicContact CB-CE 4.07Å; F263-M273 HydrophobicContact CD2-CB 4.32Å; F263-M273 HydrophobicContact CD2-CE 4.42Å; F263-M273 WeakPolarHBondContact O-CE 3.39Å; M273-L275 PolarHBondContact O-N 2.74Å; M273-L275 VanDerWaalsContact O-N 3.12Å
274D78.8Confident73.2Confident44 Ų4476.4 Ų76.424%0.23540%0.404CS..  trans-64111.2175.7-169.5-37.2000110.3D264 H266 G276 Q277 L278D264-D274 PolarHBondContact O-N 3.32Å; H266-D274 IonicContact CE1-OD2 3.56Å; H266-D274 IonicContact ND1-OD2 3.93Å; D274-G276 VanDerWaalsContact C-N 3.25Å; D274-G276 PolarHBondContact O-N 2.9Å; D274-G276 VanDerWaalsContact OD1-CA 3.27Å; D274-G276 WeakPolarHBondContact OD1-CA 3.2Å; D274-G276 PolarHBondContact OD1-N 3.39Å; D274-Q277 HydrophobicContact CB-CB 4.08Å; D274-Q277 HydrophobicContact CB-CG 3.84Å; D274-Q277 PolarHBondContact O-N 3.03Å; D274-Q277 PolarHBondContact OD1-N 3.37Å; D274-Q277 VanDerWaalsContact OD1-N 3.14Å; D274-L278 PolarHBondContact O-N 3.49Å; D274-L278 VanDerWaalsContact O-N 3.09Å
275L80.2Confident73.9Confident65 Ų6574.8 Ų74.834%0.3439%0.392SS..Hα-helixtrans-69.1-24.6179.2-63.7-179000112.3M273 L278 Y279 F291 F295M273-L275 PolarHBondContact O-N 2.74Å; M273-L275 VanDerWaalsContact O-N 3.12Å; L275-L278 HydrophobicContact CD2-CD2 4.24Å; L275-L278 PolarHBondContact O-N 2.84Å; L275-Y279 PolarHBondContact O-N 3.31Å; L275-F291 HydrophobicContact CB-CE2 4.3Å; L275-F291 HydrophobicContact CB-CZ 4.19Å; L275-F291 VanDerWaalsContact O-CE2 3.28Å; L275-F291 WeakPolarHBondContact O-CE2 3.22Å; L275-F295 HydrophobicContact CD1-CE1 4.19Å; L275-F295 HydrophobicContact CD1-CZ 4.43Å; L275-F295 HydrophobicContact CD2-CE1 4.09Å; L275-F295 HydrophobicContact CD2-CE2 4.27Å; L275-F295 HydrophobicContact CD2-CZ 3.64Å
276G80.9Confident74.6Confident36 Ų3673.2 Ų73.237%0.37139%0.39SS..Hα-helixtrans-68.5-40.8172.800000111.5D274 Y279 Q280D274-G276 VanDerWaalsContact C-N 3.25Å; D274-G276 PolarHBondContact O-N 2.9Å; D274-G276 VanDerWaalsContact OD1-CA 3.27Å; D274-G276 WeakPolarHBondContact OD1-CA 3.2Å; D274-G276 PolarHBondContact OD1-N 3.39Å; G276-Y279 WeakPolarHBondContact O-CB 3.36Å; G276-Y279 PolarHBondContact O-N 3.23Å; G276-Q280 WeakPolarHBondContact O-CG 3.27Å; G276-Q280 PolarHBondContact O-N 2.94Å
277Q83.4Confident75.7Confident47 Ų4768.2 Ų68.222%0.2237%0.367CS..Hα-helixtrans-65.9-38.7172.1-65-174.117.100111.8F263 D264 D274 Y279 Q280 F281F263-Q277 HydrophobicContact CB-CB 4.03Å; F263-Q277 HydrophobicContact CD1-CB 3.55Å; F263-Q277 HydrophobicContact CE1-CB 4.29Å; F263-Q277 HydrophobicContact CG-CB 3.96Å; D264-Q277 VanDerWaalsContact N-OE1 3.09Å; D264-Q277 PolarHBondContact OD2-NE2 2.97Å; D274-Q277 HydrophobicContact CB-CB 4.08Å; D274-Q277 HydrophobicContact CB-CG 3.84Å; D274-Q277 PolarHBondContact O-N 3.03Å; D274-Q277 PolarHBondContact OD1-N 3.37Å; D274-Q277 VanDerWaalsContact OD1-N 3.14Å; Q277-Y279 VanDerWaalsContact C-N 3.32Å; Q277-Y279 PolarHBondContact O-N 2.71Å; Q277-Q280 PolarHBondContact O-N 3.33Å; Q277-F281 WeakPolarHBondContact O-CB 3.24Å; Q277-F281 PolarHBondContact O-N 3.48Å
278L84.8Confident76.8Confident1 Ų167.7 Ų67.71%0.00535%0.354CS..Hα-helixtrans-60.1-42.2171.4176.165.9000111.5F193 M195 I201 F263 D274 L275 F281 L282 F291 F295F193-L278 HydrophobicContact CE2-CD1 4.08Å; F193-L278 HydrophobicContact CZ-CD1 4.31Å; M195-L278 HydrophobicContact CE-CD2 4.01Å; M195-L278 HydrophobicContact SD-CB 4.23Å; M195-L278 HydrophobicContact SD-CD1 4.1Å; M195-L278 HydrophobicContact SD-CD2 3.98Å; M195-L278 HydrophobicContact SD-CG 4.33Å; I201-L278 HydrophobicContact CG1-CD2 4.45Å; F263-L278 HydrophobicContact CD2-CB 4.44Å; F263-L278 HydrophobicContact CE2-CB 4.05Å; F263-L278 HydrophobicContact CE2-CD1 3.85Å; F263-L278 HydrophobicContact CZ-CB 4.38Å; F263-L278 HydrophobicContact CZ-CD1 4.1Å; D274-L278 PolarHBondContact O-N 3.49Å; D274-L278 VanDerWaalsContact O-N 3.09Å; L275-L278 HydrophobicContact CD2-CD2 4.24Å; L275-L278 PolarHBondContact O-N 2.84Å; L278-F281 PolarHBondContact O-N 3.45Å; L278-L282 HydrophobicContact CD1-CD1 4.27Å; L278-L282 HydrophobicContact CD1-CG 4.22Å; L278-L282 HydrophobicContact CG-CD1 4.16Å; L278-L282 HydrophobicContact CG-CG 4.49Å; L278-L282 WeakPolarHBondContact O-CB 3.45Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.45Å; L278-L282 PolarHBondContact O-N 3.47Å; L278-F291 HydrophobicContact CD2-CE2 4.38Å; L278-F295 HydrophobicContact CD2-CE2 4.08Å; L278-F295 HydrophobicContact CD2-CZ 4.32Å
279Y85.1Confident78Confident68 Ų6863 Ų6327%0.26733%0.329SS..Hα-helixtrans-63.1-45.8176.9179.1-103.2000111.8L275 G276 Q277 F281 L282 N283 C288 F291L275-Y279 PolarHBondContact O-N 3.31Å; G276-Y279 WeakPolarHBondContact O-CB 3.36Å; G276-Y279 PolarHBondContact O-N 3.23Å; Q277-Y279 VanDerWaalsContact C-N 3.32Å; Q277-Y279 PolarHBondContact O-N 2.71Å; Y279-F281 PolarHBondContact O-N 3.49Å; Y279-L282 PolarHBondContact O-N 2.92Å; Y279-N283 WeakPolarHBondContact O-CB 3.37Å; Y279-N283 PolarHBondContact O-N 3.05Å; Y279-C288 HydrophobicContact CE2-CB 4.1Å; Y279-F291 HydrophobicContact CD2-CB 3.89Å; Y279-F291 AromaticContact CD2-CD1 3.96Å; Y279-F291 HydrophobicContact CD2-CD1 3.96Å; Y279-F291 HydrophobicContact CD2-CD2 4.05Å; Y279-F291 HydrophobicContact CD2-CE1 4.5Å; Y279-F291 AromaticContact CD2-CG 3.7Å; Y279-F291 HydrophobicContact CD2-CG 3.7Å; Y279-F291 HydrophobicContact CE2-CB 4.43Å
280Q85.6Confident79.2Confident122 Ų12252.8 Ų52.857%0.5729%0.29SS*.Hα-helixtrans-59.5-46.7175.7-71.8174.7-0.400111.4G276 Q277 L282 N283 E284G276-Q280 WeakPolarHBondContact O-CG 3.27Å; G276-Q280 PolarHBondContact O-N 2.94Å; Q277-Q280 PolarHBondContact O-N 3.33Å; Q280-L282 PolarHBondContact O-N 3.18Å; Q280-N283 WeakPolarHBondContact O-CB 3.4Å; Q280-N283 PolarHBondContact O-N 2.98Å; Q280-N283 VanDerWaalsContact O-N 3.13Å; Q280-E284 WeakPolarHBondContact O-CG 3.37Å; Q280-E284 PolarHBondContact O-N 3.19Å
281F86.4Confident80Confident24 Ų2452 Ų5211%0.10528%0.276CS..Hα-helixtrans-57.8-46.6175.6173.9-96.7000112.3F193 F255 F263 Q277 L278 Y279 N283 E284 K285F193-F281 HydrophobicContact CB-CZ 4.37Å; F193-F281 AromaticContact CD1-CE1 3.66Å; F193-F281 HydrophobicContact CD1-CE1 3.66Å; F193-F281 HydrophobicContact CD1-CZ 4.13Å; F193-F281 HydrophobicContact CD2-CE1 4.06Å; F193-F281 AromaticContact CE1-CE1 3.75Å; F193-F281 HydrophobicContact CE1-CE1 3.75Å; F193-F281 HydrophobicContact CE2-CE1 4.14Å; F193-F281 AromaticContact CG-CE1 3.83Å; F193-F281 HydrophobicContact CG-CE1 3.83Å; F193-F281 HydrophobicContact CG-CZ 4.12Å; F193-F281 AromaticContact CZ-CE1 3.99Å; F193-F281 HydrophobicContact CZ-CE1 3.99Å; F255-F281 HydrophobicContact CD1-CZ 4.27Å; F255-F281 AromaticContact CE1-CE1 3.81Å; F255-F281 HydrophobicContact CE1-CE1 3.81Å; F255-F281 AromaticContact CE1-CZ 3.87Å; F255-F281 HydrophobicContact CE1-CZ 3.87Å; F263-F281 HydrophobicContact CE1-CB 3.82Å; F263-F281 HydrophobicContact CE1-CD2 4.48Å; F263-F281 HydrophobicContact CE1-CG 4.15Å; F263-F281 HydrophobicContact CZ-CB 3.85Å; F263-F281 HydrophobicContact CZ-CD1 4.13Å; F263-F281 HydrophobicContact CZ-CD2 4.45Å; F263-F281 AromaticContact CZ-CG 3.9Å; F263-F281 HydrophobicContact CZ-CG 3.9Å; Q277-F281 WeakPolarHBondContact O-CB 3.24Å; Q277-F281 PolarHBondContact O-N 3.48Å; L278-F281 PolarHBondContact O-N 3.45Å; Y279-F281 PolarHBondContact O-N 3.49Å; F281-N283 VanDerWaalsContact C-N 3.31Å; F281-N283 PolarHBondContact O-N 3.13Å; F281-E284 PolarHBondContact O-N 2.73Å; F281-K285 VanDerWaalsContact O-CG 3.31Å; F281-K285 WeakPolarHBondContact O-CG 3.31Å; F281-K285 PolarHBondContact O-N 3.19Å
282L86Confident80.7Confident1 Ų153.6 Ų53.61%0.00528%0.282CS..Hα-helixtrans-64.8-36.6176.5-71175000112W166 F193 L278 Y279 Q280 K285 G286 C287 F291W166-L282 HydrophobicContact CH2-CD2 3.9Å; W166-L282 HydrophobicContact CZ3-CD2 3.72Å; F193-L282 HydrophobicContact CE1-CD2 4.18Å; F193-L282 HydrophobicContact CZ-CD2 4.02Å; L278-L282 HydrophobicContact CD1-CD1 4.27Å; L278-L282 HydrophobicContact CD1-CG 4.22Å; L278-L282 HydrophobicContact CG-CD1 4.16Å; L278-L282 HydrophobicContact CG-CG 4.49Å; L278-L282 WeakPolarHBondContact O-CB 3.45Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.45Å; L278-L282 PolarHBondContact O-N 3.47Å; Y279-L282 PolarHBondContact O-N 2.92Å; Q280-L282 PolarHBondContact O-N 3.18Å; L282-K285 CarbonylContact O-C 3.38Å; L282-K285 PolarHBondContact O-N 2.97Å; L282-G286 PolarHBondContact O-N 3.46Å; L282-G286 VanDerWaalsContact O-N 3.12Å; L282-C287 HydrophobicContact CB-CB 4.46Å; L282-C287 HydrophobicContact CD2-CB 4.12Å; L282-C287 PolarHBondContact O-N 3.32Å; L282-F291 HydrophobicContact CD1-CB 4.12Å; L282-F291 HydrophobicContact CD1-CD2 4.18Å
283N85.5Confident80.9Confident89 Ų8952.4 Ų52.448%0.47628%0.278SS..Hα-helixtrans-67.5-42.7178.5-170.457.7000112.2Y279 Q280 F281 K285 G286 C288Y279-N283 WeakPolarHBondContact O-CB 3.37Å; Y279-N283 PolarHBondContact O-N 3.05Å; Q280-N283 WeakPolarHBondContact O-CB 3.4Å; Q280-N283 PolarHBondContact O-N 2.98Å; Q280-N283 VanDerWaalsContact O-N 3.13Å; F281-N283 VanDerWaalsContact C-N 3.31Å; F281-N283 PolarHBondContact O-N 3.13Å; N283-K285 PolarHBondContact O-N 3.02Å; N283-G286 PolarHBondContact O-N 2.86Å; N283-C288 HydrophobicContact CB-CB 4.25Å
284E86.4Confident80.7Confident155 Ų15551.5 Ų51.572%0.72427%0.273SS*.Hα-helixtrans-59.1-32173.4-73.1176.6-176.300112.5Q280 F281Q280-E284 WeakPolarHBondContact O-CG 3.37Å; Q280-E284 PolarHBondContact O-N 3.19Å; F281-E284 PolarHBondContact O-N 2.73Å
285K83.2Confident80.4Confident64 Ų6451.8 Ų51.828%0.27827%0.272SS..THydrogen-bonded Turntrans-90.76.1176.6-57.1-62.1-174.7179.40113.5K254 F255 F281 L282 N283 C287K254-K285 WeakPolarHBondContact CD-O 3.45Å; F255-K285 HydrophobicContact CD1-CD 4.43Å; F255-K285 HydrophobicContact CD1-CG 4.3Å; F255-K285 HydrophobicContact CE1-CB 4.16Å; F255-K285 HydrophobicContact CE1-CD 4.45Å; F255-K285 HydrophobicContact CE1-CG 3.84Å; F255-K285 HydrophobicContact CZ-CB 4.4Å; F281-K285 VanDerWaalsContact O-CG 3.31Å; F281-K285 WeakPolarHBondContact O-CG 3.31Å; F281-K285 PolarHBondContact O-N 3.19Å; L282-K285 CarbonylContact O-C 3.38Å; L282-K285 PolarHBondContact O-N 2.97Å; N283-K285 PolarHBondContact O-N 3.02Å; K285-C287 PolarHBondContact O-N 3.09Å; K285-C287 PolarHBondContact O-SG 3.3Å; K285-C287 VanDerWaalsContact O-SG 3.38Å
286G80.3Confident79.5Confident46 Ų4651.7 Ų51.747%0.47429%0.288SS..THydrogen-bonded Turntrans61.937.5179.900000114.2K254 L282 N283K254-G286 PolarHBondContact NZ-O 3.33Å; L282-G286 PolarHBondContact O-N 3.46Å; L282-G286 VanDerWaalsContact O-N 3.12Å; N283-G286 PolarHBondContact O-N 2.86Å
287C82.4Confident78.5Confident0 Ų055.3 Ų55.30%030%0.297CS..  trans-128.227.8-179.4-59.50000112.5W166 K254 L282 K285 D289 V290W166-C287 HydrophobicContact CH2-CB 3.6Å; W166-C287 HydrophobicContact CZ2-CB 3.89Å; K254-C287 WeakPolarHBondContact CD-SG 3.18Å; K254-C287 PolarHBondContact NZ-SG 3.11Å; L282-C287 HydrophobicContact CB-CB 4.46Å; L282-C287 HydrophobicContact CD2-CB 4.12Å; L282-C287 PolarHBondContact O-N 3.32Å; K285-C287 PolarHBondContact O-N 3.09Å; K285-C287 PolarHBondContact O-SG 3.3Å; K285-C287 VanDerWaalsContact O-SG 3.38Å; C287-D289 WeakPolarHBondContact CA-OD1 3.34Å; C287-D289 PolarHBondContact O-N 3.46Å; C287-V290 HydrophobicContact CB-CG2 4.48Å; C287-V290 PolarHBondContact O-N 2.87Å
288C76.6Confident77.1Confident47 Ų4759.8 Ų59.832%0.31832%0.318SS..Hα-helixtrans-63.8-28.6-174.754.80000113.4Y279 N283 V290 F291Y279-C288 HydrophobicContact CE2-CB 4.1Å; N283-C288 HydrophobicContact CB-CB 4.25Å; C288-V290 PolarHBondContact O-N 3.41Å; C288-F291 VanDerWaalsContact O-CB 3.27Å; C288-F291 WeakPolarHBondContact O-CB 3.47Å; C288-F291 PolarHBondContact O-N 2.77Å; C288-F291 VanDerWaalsContact O-N 3.17Å
289D75.1Confident75.5Confident83 Ų8361 Ų6144%0.44433%0.331SS..Hα-helixtrans-57.7-35.1175.159.2-43.6000112.7C287 F291 Q292 I293C287-D289 WeakPolarHBondContact CA-OD1 3.34Å; C287-D289 PolarHBondContact O-N 3.46Å; D289-F291 PolarHBondContact O-N 2.92Å; D289-Q292 PolarHBondContact O-N 3.49Å; D289-I293 PolarHBondContact O-N 3.44Å
290V81.4Confident73.5Confident0 Ų072.2 Ų72.20%037%0.373CS..Hα-helixtrans-68.7-24.7-179.2-174.40000112.4W166 C287 C288 Q292 I293 Y294W166-V290 HydrophobicContact CB-CG1 4.17Å; W166-V290 HydrophobicContact CD2-CB 4.33Å; W166-V290 HydrophobicContact CD2-CG1 3.53Å; W166-V290 HydrophobicContact CD2-CG2 4.14Å; W166-V290 HydrophobicContact CE3-CB 4.44Å; W166-V290 HydrophobicContact CE3-CG1 3.67Å; W166-V290 HydrophobicContact CG-CG1 3.78Å; W166-V290 HydrophobicContact CH2-CB 4.45Å; W166-V290 HydrophobicContact CH2-CG2 4.24Å; W166-V290 HydrophobicContact CZ2-CB 4.34Å; W166-V290 HydrophobicContact CZ2-CG1 4.42Å; W166-V290 HydrophobicContact CZ2-CG2 3.69Å; W166-V290 HydrophobicContact CZ3-CB 4.49Å; W166-V290 HydrophobicContact CZ3-CG1 4.15Å; C287-V290 HydrophobicContact CB-CG2 4.48Å; C287-V290 PolarHBondContact O-N 2.87Å; C288-V290 PolarHBondContact O-N 3.41Å; V290-Q292 VanDerWaalsContact C-N 3.3Å; V290-Q292 PolarHBondContact O-N 2.94Å; V290-I293 WeakPolarHBondContact O-CB 3.31Å; V290-I293 PolarHBondContact O-N 2.92Å; V290-Y294 HydrophobicContact CG1-CD2 3.7Å; V290-Y294 HydrophobicContact CG1-CE2 3.48Å; V290-Y294 VanDerWaalsContact CG1-CE2 3.48Å; V290-Y294 WeakPolarHBondContact O-CD2 3.4Å; V290-Y294 PolarHBondContact O-N 2.77Å
291F77Confident72.9Confident18 Ų1869.8 Ų69.88%0.07936%0.363CS..Hα-helixtrans-59.1-43.8175-169.7-91.2000111.3L275 L278 Y279 L282 C288 D289 I293 Y294 F295L275-F291 HydrophobicContact CB-CE2 4.3Å; L275-F291 HydrophobicContact CB-CZ 4.19Å; L275-F291 VanDerWaalsContact O-CE2 3.28Å; L275-F291 WeakPolarHBondContact O-CE2 3.22Å; L278-F291 HydrophobicContact CD2-CE2 4.38Å; Y279-F291 HydrophobicContact CD2-CB 3.89Å; Y279-F291 AromaticContact CD2-CD1 3.96Å; Y279-F291 HydrophobicContact CD2-CD1 3.96Å; Y279-F291 HydrophobicContact CD2-CD2 4.05Å; Y279-F291 HydrophobicContact CD2-CE1 4.5Å; Y279-F291 AromaticContact CD2-CG 3.7Å; Y279-F291 HydrophobicContact CD2-CG 3.7Å; Y279-F291 HydrophobicContact CE2-CB 4.43Å; L282-F291 HydrophobicContact CD1-CB 4.12Å; L282-F291 HydrophobicContact CD1-CD2 4.18Å; C288-F291 VanDerWaalsContact O-CB 3.27Å; C288-F291 WeakPolarHBondContact O-CB 3.47Å; C288-F291 PolarHBondContact O-N 2.77Å; C288-F291 VanDerWaalsContact O-N 3.17Å; D289-F291 PolarHBondContact O-N 2.92Å; F291-I293 VanDerWaalsContact C-N 3.28Å; F291-I293 PolarHBondContact O-N 3.47Å; F291-Y294 PolarHBondContact O-N 2.9Å; F291-F295 HydrophobicContact CD1-CD2 4.26Å; F291-F295 HydrophobicContact CD2-CD2 4.04Å; F291-F295 HydrophobicContact CD2-CE2 4.05Å; F291-F295 HydrophobicContact CE1-CD2 4.15Å; F291-F295 AromaticContact CE2-CD2 3.91Å; F291-F295 HydrophobicContact CE2-CD2 3.91Å; F291-F295 AromaticContact CE2-CE2 3.86Å; F291-F295 HydrophobicContact CE2-CE2 3.86Å; F291-F295 HydrophobicContact CG-CD2 4.21Å; F291-F295 AromaticContact CZ-CD2 3.98Å; F291-F295 HydrophobicContact CZ-CD2 3.98Å; F291-F295 HydrophobicContact CZ-CE2 4.31Å; F291-F295 WeakPolarHBondContact O-CD2 3.45Å; F291-F295 PolarHBondContact O-N 2.88Å; F291-F295 VanDerWaalsContact O-N 3.16Å
292Q73.1Confident72.2Confident101 Ų10172.2 Ų72.247%0.47238%0.377SS..Hα-helixtrans-63.9-35.9175-170.5179.57.900111.4D289 V290 Y294 G296D289-Q292 PolarHBondContact O-N 3.49Å; V290-Q292 VanDerWaalsContact C-N 3.3Å; V290-Q292 PolarHBondContact O-N 2.94Å; Q292-Y294 PolarHBondContact O-N 3.37Å; Q292-G296 VanDerWaalsContact O-CA 3.23Å; Q292-G296 WeakPolarHBondContact O-CA 3.25Å; Q292-G296 PolarHBondContact O-N 3.17Å
293I71.9Confident71.4Confident64 Ų6476.1 Ų76.133%0.32840%0.397SS..Hα-helixtrans-67.5-35.5178.3-57.2173.4000111.8R229 H230 D289 V290 F291R229-I293 HydrophobicContact CB-CG2 4.39Å; H230-I293 HydrophobicContact CB-CD1 4.22Å; H230-I293 HydrophobicContact CB-CG2 4.01Å; D289-I293 PolarHBondContact O-N 3.44Å; V290-I293 WeakPolarHBondContact O-CB 3.31Å; V290-I293 PolarHBondContact O-N 2.92Å; F291-I293 VanDerWaalsContact C-N 3.28Å; F291-I293 PolarHBondContact O-N 3.47Å
294Y70.9Confident70.6Confident6 Ų675.4 Ų75.42%0.02439%0.393CS..Hα-helixtrans-70.8-42.5177.2-82.7-58.7000113.3W166 I167 Y168 I201 R229 V290 F291 Q292W166-Y294 WeakPolarHBondContact CA-OH 3.36Å; W166-Y294 HydrophobicContact CB-CE2 4.37Å; W166-Y294 VanDerWaalsContact CB-OH 3.26Å; W166-Y294 WeakPolarHBondContact CB-OH 3.31Å; W166-Y294 AromaticContact CE3-CE2 3.9Å; W166-Y294 HydrophobicContact CE3-CE2 3.9Å; I167-Y294 PolarHBondContact N-OH 3.07Å; I167-Y294 VanDerWaalsContact N-OH 3.1Å; I167-Y294 PolarHBondContact O-OH 2.95Å; Y168-Y294 HydrophobicContact CD2-CD1 4Å; Y168-Y294 HydrophobicContact CG-CD1 4.5Å; I201-Y294 HydrophobicContact CD1-CD1 3.75Å; I201-Y294 HydrophobicContact CD1-CE1 3.8Å; I201-Y294 HydrophobicContact CD1-CG 4.13Å; I201-Y294 HydrophobicContact CG2-CE1 4.29Å; I201-Y294 HydrophobicContact CG2-CE2 3.85Å; R229-Y294 HydrophobicContact CB-CD1 4.04Å; R229-Y294 HydrophobicContact CB-CE1 3.92Å; R229-Y294 HydrophobicContact CG-CD1 3.76Å; R229-Y294 HydrophobicContact CG-CE1 3.89Å; V290-Y294 HydrophobicContact CG1-CD2 3.7Å; V290-Y294 HydrophobicContact CG1-CE2 3.48Å; V290-Y294 VanDerWaalsContact CG1-CE2 3.48Å; V290-Y294 WeakPolarHBondContact O-CD2 3.4Å; V290-Y294 PolarHBondContact O-N 2.77Å; F291-Y294 PolarHBondContact O-N 2.9Å; Q292-Y294 PolarHBondContact O-N 3.37Å
295F73.1Confident69.6Low50 Ų5070.4 Ų70.422%0.21937%0.372CS..Hα-helixtrans-116.7-15.6-163.9-60.9-72.8000114.9P199 I201 L275 L278 F291 I297P199-F295 HydrophobicContact CG-CE1 3.68Å; P199-F295 HydrophobicContact CG-CZ 3.93Å; I201-F295 HydrophobicContact CD1-CZ 4.49Å; L275-F295 HydrophobicContact CD1-CE1 4.19Å; L275-F295 HydrophobicContact CD1-CZ 4.43Å; L275-F295 HydrophobicContact CD2-CE1 4.09Å; L275-F295 HydrophobicContact CD2-CE2 4.27Å; L275-F295 HydrophobicContact CD2-CZ 3.64Å; L278-F295 HydrophobicContact CD2-CE2 4.08Å; L278-F295 HydrophobicContact CD2-CZ 4.32Å; F291-F295 HydrophobicContact CD1-CD2 4.26Å; F291-F295 HydrophobicContact CD2-CD2 4.04Å; F291-F295 HydrophobicContact CD2-CE2 4.05Å; F291-F295 HydrophobicContact CE1-CD2 4.15Å; F291-F295 AromaticContact CE2-CD2 3.91Å; F291-F295 HydrophobicContact CE2-CD2 3.91Å; F291-F295 AromaticContact CE2-CE2 3.86Å; F291-F295 HydrophobicContact CE2-CE2 3.86Å; F291-F295 HydrophobicContact CG-CD2 4.21Å; F291-F295 AromaticContact CZ-CD2 3.98Å; F291-F295 HydrophobicContact CZ-CD2 3.98Å; F291-F295 HydrophobicContact CZ-CE2 4.31Å; F291-F295 WeakPolarHBondContact O-CD2 3.45Å; F291-F295 PolarHBondContact O-N 2.88Å; F291-F295 VanDerWaalsContact O-N 3.16Å; F295-I297 PolarHBondContact O-N 3.12Å
296G60.5Low68.7Low64 Ų6470.8 Ų70.866%0.6638%0.378SS*.SBendtrans69.319.4-176.300000113.9Q292Q292-G296 VanDerWaalsContact O-CA 3.23Å; Q292-G296 WeakPolarHBondContact O-CA 3.25Å; Q292-G296 PolarHBondContact O-N 3.17Å
297I60.3Low67.8Low112 Ų11272.6 Ų72.657%0.57437%0.371SS*.SBendtrans-126.9134.3-177-55.5168000107.8F295 G299F295-I297 PolarHBondContact O-N 3.12Å; I297-G299 PolarHBondContact O-N 3.12Å
298E52.8Low66.7Low140 Ų14078.2 Ų78.265%0.65440%0.4SS*.  trans-67.4125.8169.8-69.7177.6170.800108.9R300E298-R300 PolarHBondContact O-N 2.98Å
299G52Low65.9Low27 Ų2780.8 Ų80.828%0.27841%0.407SS..  trans-55.7122.3178.400000110.3I297I297-G299 PolarHBondContact O-N 3.12Å
300R42.5Very low65Low304 Ų30480.5 Ų80.5100%1.14740%0.403SS*.  trans-116.20175.1-79.9-170.8178.2-174.70.4109.9E298E298-R300 PolarHBondContact O-N 2.98Å

Retrieved 300 of 300 residues in 984.5 ms (Link to these results)

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