A0A096N7R7_PAPAN Loading...

Putative tRNA (cytidine(32)/guanosine(34)-2'-O)-methyltransferase

Methylates the 2'-O-ribose of nucleotides at positions 32 and 34 of the tRNA anticodon loop of substrate tRNAs.

AlphaFold DB , UniProt , Accession A0A096N7R7, Species PAPAN (Papio anubis, Olive baboon), Gene FTSJ1, Length 329 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
1M35Very low50.1Low244 Ų244117.8 Ų117.8100%1.20260%0.598SS**  01140-68.2-176.5-153.700108.5R3M1-R3 PolarHBondContact O-N 3.3Å
2G33Very low53.3Low66 Ų66108.8 Ų108.868%0.6855%0.551SS**  trans-66.2122.8-16200000115.3T4G2-T4 PolarHBondContact O-N 3.19Å
3R38.2Very low56Low256 Ų256106.5 Ų106.597%0.96653%0.533SS*.SBendtrans-80.720.9169-87179.1169.1174.3-3.2113M1M1-R3 PolarHBondContact O-N 3.3Å
4T40.3Very low58Low129 Ų12999.5 Ų99.579%0.79150%0.497SS*.  trans-122.225.7-164.114.10000116.2G2G2-T4 PolarHBondContact O-N 3.19Å
5S46.1Very low60Low90 Ų9095.2 Ų95.263%0.62948%0.476SS*.  trans-126.3-5.3179.170.10000116.8D7S5-D7 PolarHBondContact O-N 3.15Å; S5-D7 VanDerWaalsContact O-N 3.14Å
6K42.7Very low61.9Low191 Ų19189.3 Ų89.383%0.8345%0.446SS*.THydrogen-bonded Turntrans-66.5-15.5-178-88.7-175.7173-179.20114.4R9K6-R9 WeakPolarHBondContact O-CD 3.03Å; K6-R9 WeakPolarHBondContact O-CG 3.37Å; K6-R9 PolarHBondContact O-NE 3.36Å; K6-R9 VanDerWaalsContact O-NE 3.14Å
7D46.8Very low63.4Low80 Ų8085.3 Ų85.343%0.42843%0.426SS..THydrogen-bonded Turntrans-1094.5-172.7-110.5-16.9000116.3S5 R9 L252S5-D7 PolarHBondContact O-N 3.15Å; S5-D7 VanDerWaalsContact O-N 3.14Å; D7-R9 PolarHBondContact O-N 3.23Å; D7-R9 VanDerWaalsContact O-N 3.12Å; D7-R9 IonicContact OD1-CZ 3.57Å; D7-R9 IonicContact OD1-NE 3.54Å; D7-R9 IonicContact OD1-NH2 2.7Å; D7-R9 PolarHBondContact OD1-NH2 3.37Å; D7-L252 HydrophobicContact CB-CD1 4.06Å; D7-L252 HydrophobicContact CB-CD2 4.49Å; D7-L252 WeakPolarHBondContact O-CD2 3.25Å
8K49.2Very low64.8Low150 Ų15085.2 Ų85.265%0.65242%0.423SS*.  trans-86.645.6170.5-70.4-174.5176.5-176.90111.9
9R58.7Low66.1Low57 Ų5785.6 Ų85.622%0.21543%0.428CS..  trans-76.3133.6-169-78.1176.4-81.2159.91.9111.3K6 D7 V11 R14 Y260K6-R9 WeakPolarHBondContact O-CD 3.03Å; K6-R9 WeakPolarHBondContact O-CG 3.37Å; K6-R9 PolarHBondContact O-NE 3.36Å; K6-R9 VanDerWaalsContact O-NE 3.14Å; D7-R9 PolarHBondContact O-N 3.23Å; D7-R9 VanDerWaalsContact O-N 3.12Å; D7-R9 IonicContact OD1-CZ 3.57Å; D7-R9 IonicContact OD1-NE 3.54Å; D7-R9 IonicContact OD1-NH2 2.7Å; D7-R9 PolarHBondContact OD1-NH2 3.37Å; R9-V11 PolarHBondContact O-N 2.8Å; R9-R14 HydrophobicContact CB-CG 4.3Å; R9-R14 PolarHBondContact O-NE 2.99Å; R9-Y260 PolarHBondContact NH1-OH 2.9Å; R9-Y260 PolarHBondContact NH2-OH 3.43Å
10D75.7Confident67.4Low26 Ų2682.9 Ų82.914%0.13942%0.422CS..  trans-53.6134.9179.199.765.6000110.7Y12 Y13 R14 R24 R186D10-Y12 VanDerWaalsContact C-N 3.26Å; D10-Y12 PolarHBondContact O-N 3.36Å; D10-Y12 PolarHBondContact OD1-N 2.85Å; D10-Y12 VanDerWaalsContact OD1-N 3.1Å; D10-Y13 WeakPolarHBondContact O-CB 3.29Å; D10-Y13 PolarHBondContact O-N 3.25Å; D10-Y13 VanDerWaalsContact O-N 3.08Å; D10-Y13 PolarHBondContact OD1-N 3.18Å; D10-R14 PolarHBondContact O-N 3.48Å; D10-R24 IonicContact OD1-CZ 3.66Å; D10-R24 IonicContact OD1-NE 2.85Å; D10-R24 PolarHBondContact OD1-NE 3.34Å; D10-R24 IonicContact OD1-NH1 3.41Å; D10-R24 PolarHBondContact OD1-NH1 2.85Å; D10-R24 IonicContact OD1-NH2 3.34Å; D10-R24 PolarHBondContact OD1-NH2 3.1Å; D10-R24 VanDerWaalsContact OD2-CD 3.28Å; D10-R24 WeakPolarHBondContact OD2-CD 3.14Å; D10-R24 IonicContact OD2-CZ 3.82Å; D10-R24 VanDerWaalsContact OD2-CZ 3.27Å; D10-R24 IonicContact OD2-NE 3.87Å; D10-R24 IonicContact OD2-NH1 2.95Å; D10-R24 PolarHBondContact OD2-NH1 3Å; D10-R186 IonicContact OD2-NH2 3.27Å
11V85.4Confident68.7Low7 Ų779.8 Ų79.84%0.04241%0.405CS..Hα-helixtrans-60.4-38.8-168.5-179.50000111.2R9 Y13 R14 L15 Y244 Y250R9-V11 PolarHBondContact O-N 2.8Å; V11-Y13 VanDerWaalsContact C-N 3.3Å; V11-Y13 PolarHBondContact O-N 3.41Å; V11-R14 PolarHBondContact O-N 3.03Å; V11-R14 VanDerWaalsContact O-N 3.12Å; V11-L15 HydrophobicContact CG1-CD1 3.73Å; V11-L15 HydrophobicContact CG1-CG 4Å; V11-L15 WeakPolarHBondContact O-CB 3.43Å; V11-L15 WeakPolarHBondContact O-CG 3.4Å; V11-L15 PolarHBondContact O-N 2.6Å; V11-Y244 HydrophobicContact CB-CG 4.35Å; V11-Y244 HydrophobicContact CG1-CD1 4.41Å; V11-Y244 HydrophobicContact CG1-CD2 3.7Å; V11-Y244 HydrophobicContact CG1-CE2 4.03Å; V11-Y244 HydrophobicContact CG1-CG 3.92Å; V11-Y244 HydrophobicContact CG2-CD1 4.21Å; V11-Y244 HydrophobicContact CG2-CG 4.23Å; V11-Y250 HydrophobicContact CG2-CD2 3.16Å; V11-Y250 HydrophobicContact CG2-CE2 3.73Å; V11-Y250 HydrophobicContact CG2-CG 3.84Å
12Y89.1Confident71.6Confident10 Ų1069.1 Ų69.14%0.03935%0.352CS..Hα-helixtrans-69-28.8-179.7-65-74.7000112.5D10 L15 A16 F27 Q31 S184 Y244D10-Y12 VanDerWaalsContact C-N 3.26Å; D10-Y12 PolarHBondContact O-N 3.36Å; D10-Y12 PolarHBondContact OD1-N 2.85Å; D10-Y12 VanDerWaalsContact OD1-N 3.1Å; Y12-L15 HydrophobicContact CD1-CD1 4.39Å; Y12-A16 WeakPolarHBondContact O-CB 3.4Å; Y12-A16 PolarHBondContact O-N 3.15Å; Y12-F27 HydrophobicContact CD1-CB 3.8Å; Y12-F27 HydrophobicContact CD1-CD1 4.26Å; Y12-F27 AromaticContact CD1-CD2 3.84Å; Y12-F27 HydrophobicContact CD1-CD2 3.84Å; Y12-F27 AromaticContact CD1-CG 3.69Å; Y12-F27 HydrophobicContact CD1-CG 3.69Å; Y12-F27 HydrophobicContact CE1-CB 4.25Å; Y12-F27 HydrophobicContact CE1-CG 4.34Å; Y12-F27 HydrophobicContact CG-CD2 4.48Å; Y12-F27 WeakPolarHBondContact O-CE2 3.3Å; Y12-Q31 PolarHBondContact OH-NE2 3.16Å; Y12-S184 VanDerWaalsContact CE2-CA 3.46Å; Y12-Y244 PolarHBondContact OH-O 2.86Å
13Y87.3Confident74.5Confident79 Ų7967 Ų6731%0.3133%0.328SS..Hα-helixtrans-64.3-45.1168.6178.2-88.1000111.8D10 V11 A16 K17D10-Y13 WeakPolarHBondContact O-CB 3.29Å; D10-Y13 PolarHBondContact O-N 3.25Å; D10-Y13 VanDerWaalsContact O-N 3.08Å; D10-Y13 PolarHBondContact OD1-N 3.18Å; V11-Y13 VanDerWaalsContact C-N 3.3Å; V11-Y13 PolarHBondContact O-N 3.41Å; Y13-A16 PolarHBondContact O-N 2.92Å; Y13-K17 HydrophobicContact CE1-CG 4.24Å; Y13-K17 WeakPolarHBondContact O-CG 3.44Å; Y13-K17 PolarHBondContact O-N 3.22Å
14R84.5Confident77.1Confident8 Ų856.5 Ų56.53%0.0329%0.288CS..Hα-helixtrans-64.9-51.6178.1-69.8-172-80.3156.6-9.7111.2R9 D10 V11 A16 K17 E18 P251 L252 Y260R9-R14 HydrophobicContact CB-CG 4.3Å; R9-R14 PolarHBondContact O-NE 2.99Å; D10-R14 PolarHBondContact O-N 3.48Å; V11-R14 PolarHBondContact O-N 3.03Å; V11-R14 VanDerWaalsContact O-N 3.12Å; R14-A16 PolarHBondContact O-N 3.13Å; R14-K17 PolarHBondContact O-N 3.4Å; R14-E18 WeakPolarHBondContact O-CG 3.13Å; R14-E18 PolarHBondContact O-N 2.89Å; R14-P251 PolarHBondContact NH1-O 3.14Å; R14-P251 VanDerWaalsContact NH1-O 3.11Å; R14-P251 PolarHBondContact NH2-O 3.06Å; R14-L252 PolarHBondContact NH1-O 2.72Å; R14-Y260 HydrophobicContact CG-CE2 4.37Å
15L87.9Confident79.7Confident35 Ų3551 Ų5118%0.18326%0.255CS..Hα-helixtrans-56.3-36.5176-70.1173.5000111.3V11 Y12 K17 E18 N19 F27V11-L15 HydrophobicContact CG1-CD1 3.73Å; V11-L15 HydrophobicContact CG1-CG 4Å; V11-L15 WeakPolarHBondContact O-CB 3.43Å; V11-L15 WeakPolarHBondContact O-CG 3.4Å; V11-L15 PolarHBondContact O-N 2.6Å; Y12-L15 HydrophobicContact CD1-CD1 4.39Å; L15-K17 VanDerWaalsContact C-N 3.34Å; L15-K17 PolarHBondContact O-N 3Å; L15-E18 PolarHBondContact O-N 3.39Å; L15-N19 VanDerWaalsContact O-CB 3.28Å; L15-N19 WeakPolarHBondContact O-CB 3.15Å; L15-N19 PolarHBondContact O-N 2.8Å; L15-N19 PolarHBondContact O-ND2 3.04Å; L15-F27 HydrophobicContact CB-CE1 4.37Å; L15-F27 HydrophobicContact CB-CE2 3.72Å; L15-F27 HydrophobicContact CB-CZ 3.48Å; L15-F27 VanDerWaalsContact CB-CZ 3.48Å
16A90.8Very high82.1Confident0 Ų046.7 Ų46.70%023%0.225CC..Hα-helixtrans-62.2-43.717700000111.3Y12 Y13 R14 G20 W21 R24 F27Y12-A16 WeakPolarHBondContact O-CB 3.4Å; Y12-A16 PolarHBondContact O-N 3.15Å; Y13-A16 PolarHBondContact O-N 2.92Å; R14-A16 PolarHBondContact O-N 3.13Å; A16-G20 CarbonylContact O-C 3.54Å; A16-G20 PolarHBondContact O-N 3.48Å; A16-W21 HydrophobicContact CB-CB 3.97Å; A16-W21 PolarHBondContact O-N 3.25Å; A16-R24 HydrophobicContact CB-CB 4.5Å; A16-F27 HydrophobicContact CB-CE2 3.99Å
17K87.1Confident84.6Confident22 Ų2239 Ų3910%0.09619%0.191CC..Hα-helixtrans-68.4-42.6177.8-59.2-55.8175.8-156.60112.6Y13 R14 L15 N19 G20 R22 T263Y13-K17 HydrophobicContact CE1-CG 4.24Å; Y13-K17 WeakPolarHBondContact O-CG 3.44Å; Y13-K17 PolarHBondContact O-N 3.22Å; R14-K17 PolarHBondContact O-N 3.4Å; L15-K17 VanDerWaalsContact C-N 3.34Å; L15-K17 PolarHBondContact O-N 3Å; K17-N19 VanDerWaalsContact C-N 3.31Å; K17-N19 PolarHBondContact O-N 3.08Å; K17-G20 PolarHBondContact O-N 2.78Å; K17-R22 PolarHBondContact NZ-O 3.45Å; K17-T263 VanDerWaalsContact CB-OG1 3.3Å; K17-T263 WeakPolarHBondContact CB-OG1 3.23Å
18E89.3Confident87Confident83 Ų8336.1 Ų36.139%0.38818%0.175SC..Hα-helixtrans-62.9-38177.9-70.6167.1-171.100112.1R14 L15R14-E18 WeakPolarHBondContact O-CG 3.13Å; R14-E18 PolarHBondContact O-N 2.89Å; L15-E18 PolarHBondContact O-N 3.39Å
19N89Confident89.3Confident94 Ų9429 Ų2950%0.50314%0.144SC..THydrogen-bonded Turntrans-91.46.1178.8-68-90.7000113.4L15 K17 W21L15-N19 VanDerWaalsContact O-CB 3.28Å; L15-N19 WeakPolarHBondContact O-CB 3.15Å; L15-N19 PolarHBondContact O-N 2.8Å; L15-N19 PolarHBondContact O-ND2 3.04Å; K17-N19 VanDerWaalsContact C-N 3.31Å; K17-N19 PolarHBondContact O-N 3.08Å; N19-W21 VanDerWaalsContact C-N 3.28Å; N19-W21 PolarHBondContact O-N 2.93Å
20G91.9Very high91.1Very high31 Ų3128 Ų2832%0.3214%0.143SC..THydrogen-bonded Turntrans7211.6177.800000115.9A16 K17 T266A16-G20 CarbonylContact O-C 3.54Å; A16-G20 PolarHBondContact O-N 3.48Å; K17-G20 PolarHBondContact O-N 2.78Å; G20-T266 WeakPolarHBondContact O-CG2 3.26Å; G20-T266 PolarHBondContact O-OG1 3.08Å
21W95.3Very high92.1Very high18 Ų1827.9 Ų27.97%0.06814%0.141CC..  trans-70.5137.7172.7-58.3118.2000111.8A16 N19 A23 A26 F27 L30 Q57 V58 Q61 T266A16-W21 HydrophobicContact CB-CB 3.97Å; A16-W21 PolarHBondContact O-N 3.25Å; N19-W21 VanDerWaalsContact C-N 3.28Å; N19-W21 PolarHBondContact O-N 2.93Å; W21-A23 VanDerWaalsContact C-N 3.3Å; W21-A23 PolarHBondContact O-N 2.68Å; W21-A26 HydrophobicContact CB-CB 3.87Å; W21-A26 HydrophobicContact CD2-CB 3.81Å; W21-A26 HydrophobicContact CE3-CB 4.03Å; W21-A26 HydrophobicContact CG-CB 3.74Å; W21-F27 AromaticContact CD1-CZ 3.86Å; W21-L30 HydrophobicContact CZ2-CD1 4.04Å; W21-Q57 HydrophobicContact CE3-CB 3.9Å; W21-Q57 HydrophobicContact CZ3-CB 3.78Å; W21-V58 HydrophobicContact CE3-CG2 4.01Å; W21-V58 HydrophobicContact CH2-CB 4.46Å; W21-V58 HydrophobicContact CH2-CG2 3.77Å; W21-V58 HydrophobicContact CZ2-CG2 4.36Å; W21-V58 HydrophobicContact CZ3-CB 4.32Å; W21-V58 HydrophobicContact CZ3-CG2 3.58Å; W21-Q61 VanDerWaalsContact CH2-CD 3.48Å; W21-T266 PolarHBondContact O-OG1 3.26Å
22R95Very high92.7Very high20 Ų2027.5 Ų27.58%0.07514%0.139CC..SBendtrans-60.2-40178.8-79176.2-177.4-166.2-0.1112.3K17 P52 Q57 A80 P81 L82 Q267K17-R22 PolarHBondContact NZ-O 3.45Å; R22-P52 HydrophobicContact CB-CG 4.47Å; R22-P52 WeakPolarHBondContact CD-O 3.14Å; R22-P52 PolarHBondContact NH1-O 3.28Å; R22-Q57 VanDerWaalsContact CB-OE1 3.31Å; R22-Q57 VanDerWaalsContact CG-OE1 3.24Å; R22-A80 VanDerWaalsContact CZ-O 3.29Å; R22-A80 PolarHBondContact NH1-O 2.81Å; R22-A80 PolarHBondContact NH2-O 2.86Å; R22-P81 PolarHBondContact NH2-O 2.78Å; R22-L82 VanDerWaalsContact CZ-CG 3.46Å; R22-L82 VanDerWaalsContact NH2-CG 3.34Å; R22-Q267 HydrophobicContact CG-CB 4.19Å
23A93.3Very high93.1Very high21 Ų2128.4 Ų28.417%0.17415%0.145CC..SBendtrans-141160.6-179.800000112W21 S25 A26 P52W21-A23 VanDerWaalsContact C-N 3.3Å; W21-A23 PolarHBondContact O-N 2.68Å; A23-S25 PolarHBondContact O-N 3.14Å; A23-A26 WeakPolarHBondContact O-CB 3.18Å; A23-A26 PolarHBondContact O-N 3.09Å; A23-P52 HydrophobicContact CB-CG 4.27Å
24R93.4Very high93.5Very high35 Ų3531.7 Ų31.713%0.13216%0.161CC..THydrogen-bonded Turntrans-64.1-21175.767.7171.3-71.2-172.22.8113.7D10 A16 A26 F27 S184D10-R24 IonicContact OD1-CZ 3.66Å; D10-R24 IonicContact OD1-NE 2.85Å; D10-R24 PolarHBondContact OD1-NE 3.34Å; D10-R24 IonicContact OD1-NH1 3.41Å; D10-R24 PolarHBondContact OD1-NH1 2.85Å; D10-R24 IonicContact OD1-NH2 3.34Å; D10-R24 PolarHBondContact OD1-NH2 3.1Å; D10-R24 VanDerWaalsContact OD2-CD 3.28Å; D10-R24 WeakPolarHBondContact OD2-CD 3.14Å; D10-R24 IonicContact OD2-CZ 3.82Å; D10-R24 VanDerWaalsContact OD2-CZ 3.27Å; D10-R24 IonicContact OD2-NE 3.87Å; D10-R24 IonicContact OD2-NH1 2.95Å; D10-R24 PolarHBondContact OD2-NH1 3Å; A16-R24 HydrophobicContact CB-CB 4.5Å; R24-A26 PolarHBondContact O-N 3.31Å; R24-F27 PolarHBondContact O-N 3.31Å; R24-S184 PolarHBondContact NH2-O 3.04Å
25S94.8Very high94.1Very high14 Ų1435.6 Ų35.610%0.09818%0.179CC..THydrogen-bonded Turntrans-64.6-18.5178.738.50000113.2A23 F27 K28 S54 W55 D116A23-S25 PolarHBondContact O-N 3.14Å; S25-F27 PolarHBondContact O-N 3.14Å; S25-K28 VanDerWaalsContact O-CB 3.29Å; S25-K28 WeakPolarHBondContact O-CB 3.38Å; S25-K28 PolarHBondContact O-N 2.95Å; S25-S54 PolarHBondContact OG-OG 3.41Å; S25-W55 PolarHBondContact O-NE1 3.39Å; S25-D116 WeakPolarHBondContact CB-OD2 3.44Å; S25-D116 PolarHBondContact OG-OD2 3.09Å
26A96.9Very high94.5Very high0 Ų035.1 Ų35.10%018%0.176CC..Hα-helixtrans-51.6-38.4169.800000112.6W21 A23 R24 K28 L29 L30 V58W21-A26 HydrophobicContact CB-CB 3.87Å; W21-A26 HydrophobicContact CD2-CB 3.81Å; W21-A26 HydrophobicContact CE3-CB 4.03Å; W21-A26 HydrophobicContact CG-CB 3.74Å; A23-A26 WeakPolarHBondContact O-CB 3.18Å; A23-A26 PolarHBondContact O-N 3.09Å; R24-A26 PolarHBondContact O-N 3.31Å; A26-K28 VanDerWaalsContact C-N 3.25Å; A26-K28 PolarHBondContact O-N 3.01Å; A26-L29 PolarHBondContact O-N 2.83Å; A26-L30 WeakPolarHBondContact O-CG 3.31Å; A26-L30 PolarHBondContact O-N 3.25Å; A26-L30 VanDerWaalsContact O-N 3.13Å; A26-V58 HydrophobicContact CB-CG2 3.75Å
27F96Very high94.7Very high29 Ų2941.2 Ų41.213%0.12720%0.204CC..Hα-helixtrans-67.7-23.8178.1-68.6-75.3000113.7Y12 L15 A16 W21 R24 S25 L30 Q31 S184Y12-F27 HydrophobicContact CD1-CB 3.8Å; Y12-F27 HydrophobicContact CD1-CD1 4.26Å; Y12-F27 AromaticContact CD1-CD2 3.84Å; Y12-F27 HydrophobicContact CD1-CD2 3.84Å; Y12-F27 AromaticContact CD1-CG 3.69Å; Y12-F27 HydrophobicContact CD1-CG 3.69Å; Y12-F27 HydrophobicContact CE1-CB 4.25Å; Y12-F27 HydrophobicContact CE1-CG 4.34Å; Y12-F27 HydrophobicContact CG-CD2 4.48Å; Y12-F27 WeakPolarHBondContact O-CE2 3.3Å; L15-F27 HydrophobicContact CB-CE1 4.37Å; L15-F27 HydrophobicContact CB-CE2 3.72Å; L15-F27 HydrophobicContact CB-CZ 3.48Å; L15-F27 VanDerWaalsContact CB-CZ 3.48Å; A16-F27 HydrophobicContact CB-CE2 3.99Å; W21-F27 AromaticContact CD1-CZ 3.86Å; R24-F27 PolarHBondContact O-N 3.31Å; S25-F27 PolarHBondContact O-N 3.14Å; F27-L30 HydrophobicContact CD1-CD1 4.29Å; F27-Q31 VanDerWaalsContact O-CB 3.28Å; F27-Q31 WeakPolarHBondContact O-CB 3.47Å; F27-Q31 WeakPolarHBondContact O-CG 3.42Å; F27-Q31 PolarHBondContact O-N 3.36Å; F27-S184 VanDerWaalsContact C-OG 3.24Å; F27-S184 PolarHBondContact O-OG 3.49Å
28K96.5Very high95.1Very high19 Ų1940.4 Ų40.48%0.08320%0.201CC..Hα-helixtrans-66.3-51.3176.8-57.3179.3-167.7175.40109.3S25 A26 L30 Q31 L32 W55 D116 P182 S184 E191 F193S25-K28 VanDerWaalsContact O-CB 3.29Å; S25-K28 WeakPolarHBondContact O-CB 3.38Å; S25-K28 PolarHBondContact O-N 2.95Å; A26-K28 VanDerWaalsContact C-N 3.25Å; A26-K28 PolarHBondContact O-N 3.01Å; K28-L30 PolarHBondContact O-N 3.06Å; K28-Q31 PolarHBondContact O-N 3.37Å; K28-L32 VanDerWaalsContact O-CG 3.27Å; K28-L32 WeakPolarHBondContact O-CG 3.14Å; K28-L32 PolarHBondContact O-N 2.79Å; K28-W55 HydrophobicContact CB-CZ2 4.17Å; K28-D116 IonicContact NZ-OD1 2.77Å; K28-P182 HydrophobicContact CB-CB 4.42Å; K28-P182 HydrophobicContact CB-CG 4.27Å; K28-S184 WeakPolarHBondContact CA-OG 3.32Å; K28-S184 VanDerWaalsContact CG-OG 3.28Å; K28-S184 WeakPolarHBondContact CG-OG 3.48Å; K28-S184 PolarHBondContact N-OG 3.29Å; K28-S184 VanDerWaalsContact N-OG 3.09Å; K28-E191 VanDerWaalsContact CE-OE1 3.26Å; K28-E191 WeakPolarHBondContact CE-OE1 3.33Å; K28-E191 IonicContact NZ-OE1 2.73Å; K28-E191 PolarHBondContact NZ-OE1 3.3Å; K28-E191 IonicContact NZ-OE2 3.61Å; K28-E191 PolarHBondContact NZ-OE2 3.44Å; K28-F193 HydrophobicContact CB-CE2 4.32Å; K28-F193 HydrophobicContact CB-CZ 4.24Å; K28-F193 HydrophobicContact CD-CE2 3.78Å; K28-F193 HydrophobicContact CD-CZ 3.5Å; K28-F193 VanDerWaalsContact CD-CZ 3.5Å; K28-F193 HydrophobicContact CG-CE2 4.48Å; K28-F193 HydrophobicContact CG-CZ 4.46Å
29L97.7Very high95.4Very high0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-64.1-41.5178.8-173.659.4000112.2A26 Q31 L32 D33 L38 F39 W55 V58 L59 V114A26-L29 PolarHBondContact O-N 2.83Å; L29-Q31 VanDerWaalsContact C-N 3.29Å; L29-Q31 PolarHBondContact O-N 2.87Å; L29-L32 PolarHBondContact O-N 2.89Å; L29-D33 WeakPolarHBondContact O-CB 3.37Å; L29-D33 PolarHBondContact O-N 2.95Å; L29-L38 HydrophobicContact CD1-CD1 4.26Å; L29-F39 HydrophobicContact CD1-CE1 4.42Å; L29-F39 HydrophobicContact CD1-CZ 4.3Å; L29-F39 HydrophobicContact CD2-CE1 4.43Å; L29-F39 HydrophobicContact CD2-CZ 4.06Å; L29-F39 HydrophobicContact CG-CE1 4.4Å; L29-F39 HydrophobicContact CG-CZ 3.86Å; L29-W55 HydrophobicContact CB-CD2 3.87Å; L29-W55 HydrophobicContact CB-CG 4.07Å; L29-W55 HydrophobicContact CB-CZ2 4.02Å; L29-W55 HydrophobicContact CD1-CD2 4.44Å; L29-W55 HydrophobicContact CD1-CE3 4.26Å; L29-W55 HydrophobicContact CD1-CH2 4.41Å; L29-W55 HydrophobicContact CD1-CZ3 4.26Å; L29-W55 HydrophobicContact CD2-CB 3.9Å; L29-W55 HydrophobicContact CD2-CD2 3.91Å; L29-W55 HydrophobicContact CD2-CE3 4.18Å; L29-W55 HydrophobicContact CD2-CG 3.83Å; L29-W55 HydrophobicContact CG-CD2 4.28Å; L29-V58 HydrophobicContact CD2-CB 4.11Å; L29-V58 HydrophobicContact CD2-CG1 3.95Å; L29-V58 HydrophobicContact CG-CG1 4.22Å; L29-L59 HydrophobicContact CD2-CD2 4.16Å; L29-L59 HydrophobicContact CD2-CG 4.13Å; L29-V114 HydrophobicContact CD1-CG1 4.32Å
30L96.8Very high95.6Very high36 Ų3639.2 Ų39.219%0.18819%0.192CC..Hα-helixtrans-60.3-37.9174.8-71.8169000112.7W21 A26 F27 K28 K34 V58W21-L30 HydrophobicContact CZ2-CD1 4.04Å; A26-L30 WeakPolarHBondContact O-CG 3.31Å; A26-L30 PolarHBondContact O-N 3.25Å; A26-L30 VanDerWaalsContact O-N 3.13Å; F27-L30 HydrophobicContact CD1-CD1 4.29Å; K28-L30 PolarHBondContact O-N 3.06Å; L30-K34 PolarHBondContact O-N 3.35Å; L30-K34 VanDerWaalsContact O-N 3.13Å; L30-V58 HydrophobicContact CD1-CG2 4.37Å; L30-V58 HydrophobicContact CD2-CG1 3.68Å; L30-V58 HydrophobicContact CD2-CG2 4.42Å; L30-V58 HydrophobicContact CG-CG1 3.97Å; L30-V58 HydrophobicContact CG-CG2 4.07Å
31Q96.9Very high95.6Very high24 Ų2440.5 Ų40.511%0.11221%0.206CC..Hα-helixtrans-74.2-36.3177.5-75.5170.3-10.600112.3Y12 F27 K28 L29 K34 E35 P182 S184Y12-Q31 PolarHBondContact OH-NE2 3.16Å; F27-Q31 VanDerWaalsContact O-CB 3.28Å; F27-Q31 WeakPolarHBondContact O-CB 3.47Å; F27-Q31 WeakPolarHBondContact O-CG 3.42Å; F27-Q31 PolarHBondContact O-N 3.36Å; K28-Q31 PolarHBondContact O-N 3.37Å; L29-Q31 VanDerWaalsContact C-N 3.29Å; L29-Q31 PolarHBondContact O-N 2.87Å; Q31-K34 PolarHBondContact O-N 2.91Å; Q31-E35 PolarHBondContact O-N 3.42Å; Q31-P182 HydrophobicContact CB-CB 4.04Å; Q31-P182 VanDerWaalsContact OE1-CB 3.23Å; Q31-S184 VanDerWaalsContact OE1-CB 3.25Å; Q31-S184 PolarHBondContact OE1-OG 2.78Å
32L97.5Very high95.6Very high0 Ų040.1 Ų40.10%021%0.205CC..Hα-helixtrans-64.2-45.8172.8-68.8168.9000110.8K28 L29 K34 E35 F36 L38 W55 V154 A180 P182 F193 V195K28-L32 VanDerWaalsContact O-CG 3.27Å; K28-L32 WeakPolarHBondContact O-CG 3.14Å; K28-L32 PolarHBondContact O-N 2.79Å; L29-L32 PolarHBondContact O-N 2.89Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 3.16Å; L32-E35 PolarHBondContact O-N 2.94Å; L32-E35 VanDerWaalsContact O-N 3.15Å; L32-F36 HydrophobicContact CD2-CD2 4.34Å; L32-F36 HydrophobicContact CD2-CE2 3.98Å; L32-F36 VanDerWaalsContact O-CD2 3.24Å; L32-F36 WeakPolarHBondContact O-CD2 3.49Å; L32-F36 PolarHBondContact O-N 3.15Å; L32-L38 HydrophobicContact CB-CD1 3.83Å; L32-W55 HydrophobicContact CD1-CH2 4.26Å; L32-W55 HydrophobicContact CD1-CZ2 4.5Å; L32-V154 HydrophobicContact CD1-CG1 3.94Å; L32-A180 HydrophobicContact CD2-CB 3.45Å; L32-A180 VanDerWaalsContact CD2-CB 3.45Å; L32-P182 HydrophobicContact CD1-CG 4.22Å; L32-P182 HydrophobicContact CD2-CG 3.72Å; L32-P182 HydrophobicContact CG-CG 3.73Å; L32-F193 HydrophobicContact CD1-CB 4.08Å; L32-F193 HydrophobicContact CD1-CD1 4.08Å; L32-F193 HydrophobicContact CD1-CD2 4.25Å; L32-F193 HydrophobicContact CD1-CG 3.84Å; L32-F193 HydrophobicContact CD2-CB 4.32Å; L32-V195 HydrophobicContact CD2-CG2 4.09Å
33D97.1Very high95.6Very high29 Ų2941 Ų4116%0.15521%0.213CC..Hα-helixtrans-59.8-41.3176.1174.761.1000112.3L29 E35 F36 Q37 L38 F39L29-D33 WeakPolarHBondContact O-CB 3.37Å; L29-D33 PolarHBondContact O-N 2.95Å; D33-E35 PolarHBondContact O-N 3.03Å; D33-F36 PolarHBondContact O-N 2.85Å; D33-Q37 VanDerWaalsContact O-CA 3.23Å; D33-Q37 WeakPolarHBondContact O-CA 3.33Å; D33-Q37 PolarHBondContact O-N 3.46Å; D33-L38 HydrophobicContact CB-CB 4.35Å; D33-L38 PolarHBondContact OD1-N 2.99Å; D33-L38 VanDerWaalsContact OD1-N 3.08Å; D33-F39 HydrophobicContact CB-CD2 3.79Å; D33-F39 HydrophobicContact CB-CE1 4.49Å; D33-F39 HydrophobicContact CB-CE2 3.48Å; D33-F39 VanDerWaalsContact CB-CE2 3.48Å; D33-F39 HydrophobicContact CB-CG 4.42Å; D33-F39 HydrophobicContact CB-CZ 3.89Å; D33-F39 WeakPolarHBondContact OD1-CD2 3.16Å; D33-F39 VanDerWaalsContact OD1-CG 3.26Å; D33-F39 WeakPolarHBondContact OD1-CG 3.5Å; D33-F39 PolarHBondContact OD1-N 3.14Å; D33-F39 WeakPolarHBondContact OD2-CD2 3.46Å; D33-F39 WeakPolarHBondContact OD2-CE2 3.34Å
34K96.1Very high95.8Very high147 Ų14742.5 Ų42.564%0.63921%0.214SC*.Hα-helixtrans-57.6-36.6176.3-174.9-179.6177.7-176.80112.7L30 Q31 L32L30-K34 PolarHBondContact O-N 3.35Å; L30-K34 VanDerWaalsContact O-N 3.13Å; Q31-K34 PolarHBondContact O-N 2.91Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 3.16Å
35E96.8Very high96Very high91 Ų9140.9 Ų40.943%0.42521%0.208SC..Hα-helixtrans-83.1-44.2-177.9-167.168.2-150.500112.3Q31 L32 D33 V236 C238Q31-E35 PolarHBondContact O-N 3.42Å; L32-E35 PolarHBondContact O-N 2.94Å; L32-E35 VanDerWaalsContact O-N 3.15Å; D33-E35 PolarHBondContact O-N 3.03Å; E35-V236 HydrophobicContact CG-CG1 4.18Å; E35-C238 HydrophobicContact CB-CB 4.07Å; E35-C238 HydrophobicContact CG-CB 4.29Å
36F95.9Very high96.2Very high24 Ų2440.2 Ų40.211%0.10520%0.203CC..Hα-helixtrans-107.70.9-168.5-57.5-71.3000114.3L32 D33 L38 L178 A180 V195 V236 C238L32-F36 HydrophobicContact CD2-CD2 4.34Å; L32-F36 HydrophobicContact CD2-CE2 3.98Å; L32-F36 VanDerWaalsContact O-CD2 3.24Å; L32-F36 WeakPolarHBondContact O-CD2 3.49Å; L32-F36 PolarHBondContact O-N 3.15Å; D33-F36 PolarHBondContact O-N 2.85Å; F36-L38 HydrophobicContact CB-CD2 3.77Å; F36-L38 HydrophobicContact CB-CG 3.97Å; F36-L38 PolarHBondContact O-N 3.07Å; F36-L178 HydrophobicContact CD1-CD1 4.27Å; F36-L178 HydrophobicContact CE1-CB 4.47Å; F36-L178 HydrophobicContact CE1-CD1 3.63Å; F36-A180 HydrophobicContact CE2-CB 3.7Å; F36-A180 HydrophobicContact CZ-CB 3.95Å; F36-V195 HydrophobicContact CB-CG1 4.29Å; F36-V195 HydrophobicContact CD1-CG1 4.19Å; F36-V195 HydrophobicContact CD2-CB 4.44Å; F36-V195 HydrophobicContact CD2-CG1 3.99Å; F36-V195 HydrophobicContact CD2-CG2 3.96Å; F36-V195 HydrophobicContact CE2-CB 4.38Å; F36-V195 HydrophobicContact CE2-CG1 4.39Å; F36-V195 HydrophobicContact CE2-CG2 3.77Å; F36-V195 HydrophobicContact CG-CG1 3.9Å; F36-V195 HydrophobicContact CZ-CG2 4.32Å; F36-V236 HydrophobicContact CZ-CB 4.23Å; F36-V236 HydrophobicContact CZ-CG1 4.11Å; F36-C238 WeakPolarHBondContact CE2-SG 3.14Å
37Q95.5Very high96.3Very high129 Ų12940.2 Ų40.260%0.60320%0.203SC*.  trans53.839.5-178.7-58.6176.9-29.800112.5D33 F39 Q40D33-Q37 VanDerWaalsContact O-CA 3.23Å; D33-Q37 WeakPolarHBondContact O-CA 3.33Å; D33-Q37 PolarHBondContact O-N 3.46Å; Q37-F39 PolarHBondContact O-N 3.2Å; Q37-F39 VanDerWaalsContact O-N 3.08Å; Q37-Q40 HydrophobicContact CB-CB 4.37Å; Q37-Q40 WeakPolarHBondContact O-CB 3.43Å; Q37-Q40 PolarHBondContact O-N 2.96Å
38L95.8Very high96.4Very high5 Ų538.9 Ų38.93%0.02620%0.197CC..THydrogen-bonded Turntrans-56.7-30-170.5-64.9176.9000113.7L29 L32 D33 F36 V42 V154 V195L29-L38 HydrophobicContact CD1-CD1 4.26Å; L32-L38 HydrophobicContact CB-CD1 3.83Å; D33-L38 HydrophobicContact CB-CB 4.35Å; D33-L38 PolarHBondContact OD1-N 2.99Å; D33-L38 VanDerWaalsContact OD1-N 3.08Å; F36-L38 HydrophobicContact CB-CD2 3.77Å; F36-L38 HydrophobicContact CB-CG 3.97Å; F36-L38 PolarHBondContact O-N 3.07Å; L38-V42 WeakPolarHBondContact O-CG2 3.45Å; L38-V154 HydrophobicContact CD1-CG2 3.9Å; L38-V154 HydrophobicContact CD2-CG2 3.9Å; L38-V195 HydrophobicContact CD2-CG1 4.1Å
39F95.4Very high96.4Very high10 Ų1039.2 Ų39.24%0.04420%0.202CC..THydrogen-bonded Turntrans-91-3.5-177.4-53.5-32.2000114.1L29 D33 Q37 G41 V42 V58 L59 K62 I63 L112L29-F39 HydrophobicContact CD1-CE1 4.42Å; L29-F39 HydrophobicContact CD1-CZ 4.3Å; L29-F39 HydrophobicContact CD2-CE1 4.43Å; L29-F39 HydrophobicContact CD2-CZ 4.06Å; L29-F39 HydrophobicContact CG-CE1 4.4Å; L29-F39 HydrophobicContact CG-CZ 3.86Å; D33-F39 HydrophobicContact CB-CD2 3.79Å; D33-F39 HydrophobicContact CB-CE1 4.49Å; D33-F39 HydrophobicContact CB-CE2 3.48Å; D33-F39 VanDerWaalsContact CB-CE2 3.48Å; D33-F39 HydrophobicContact CB-CG 4.42Å; D33-F39 HydrophobicContact CB-CZ 3.89Å; D33-F39 WeakPolarHBondContact OD1-CD2 3.16Å; D33-F39 VanDerWaalsContact OD1-CG 3.26Å; D33-F39 WeakPolarHBondContact OD1-CG 3.5Å; D33-F39 PolarHBondContact OD1-N 3.14Å; D33-F39 WeakPolarHBondContact OD2-CD2 3.46Å; D33-F39 WeakPolarHBondContact OD2-CE2 3.34Å; Q37-F39 PolarHBondContact O-N 3.2Å; Q37-F39 VanDerWaalsContact O-N 3.08Å; F39-G41 PolarHBondContact O-N 2.79Å; F39-V42 PolarHBondContact O-N 2.95Å; F39-V58 HydrophobicContact CE2-CG1 3.98Å; F39-V58 HydrophobicContact CZ-CG1 3.83Å; F39-L59 HydrophobicContact CD1-CD2 4.26Å; F39-L59 HydrophobicContact CE1-CD2 3.57Å; F39-L59 HydrophobicContact CZ-CD2 4.23Å; F39-K62 HydrophobicContact CD2-CB 3.53Å; F39-K62 HydrophobicContact CD2-CD 4.2Å; F39-K62 HydrophobicContact CD2-CG 3.76Å; F39-K62 HydrophobicContact CE2-CB 3.79Å; F39-K62 HydrophobicContact CE2-CD 4.34Å; F39-K62 HydrophobicContact CE2-CG 3.65Å; F39-K62 HydrophobicContact CG-CB 4.18Å; F39-I63 HydrophobicContact CB-CG1 4.48Å; F39-I63 HydrophobicContact CD1-CD1 4.26Å; F39-I63 HydrophobicContact CD1-CG1 4.41Å; F39-L112 HydrophobicContact CD1-CD2 3.97Å; F39-L112 HydrophobicContact CE1-CD2 4.01Å
40Q92.6Very high96.4Very high142 Ų14239.6 Ų39.666%0.66421%0.205SC*.THydrogen-bonded Turntrans-67.5117.7-178.3-174.9170.3-7.300111Q37 V42Q37-Q40 HydrophobicContact CB-CB 4.37Å; Q37-Q40 WeakPolarHBondContact O-CB 3.43Å; Q37-Q40 PolarHBondContact O-N 2.96Å; Q40-V42 PolarHBondContact O-N 3.47Å
41G92.1Very high96.3Very high58 Ų5839.3 Ų39.360%0.59821%0.208SC*.THydrogen-bonded Turntrans71.410.4-179.500000114.7F39F39-G41 PolarHBondContact O-N 2.79Å
42V95.6Very high96.3Very high9 Ų940.4 Ų40.46%0.05522%0.217CC..  trans-82.6128175.6171.80000109.7L38 F39 Q40 A45 I63 D111 L112L38-V42 WeakPolarHBondContact O-CG2 3.45Å; F39-V42 PolarHBondContact O-N 2.95Å; Q40-V42 PolarHBondContact O-N 3.47Å; V42-A45 HydrophobicContact CG1-CB 4.22Å; V42-I63 HydrophobicContact CB-CD1 4.41Å; V42-I63 HydrophobicContact CB-CG1 4.4Å; V42-I63 HydrophobicContact CG1-CD1 3.54Å; V42-I63 HydrophobicContact CG1-CG1 3.97Å; V42-I63 HydrophobicContact CG1-CG2 4.36Å; V42-I63 VanDerWaalsContact O-CG2 3.31Å; V42-I63 WeakPolarHBondContact O-CG2 3.29Å; V42-D111 HydrophobicContact CB-CB 4.35Å; V42-D111 HydrophobicContact CG1-CB 4.14Å; V42-D111 HydrophobicContact CG2-CB 4.13Å; V42-L112 HydrophobicContact CG1-CB 3.93Å; V42-L112 HydrophobicContact CG1-CD2 4.47Å; V42-L112 HydrophobicContact CG2-CB 4.05Å
43T95.1Very high96.2Very high39 Ų3940.4 Ų40.424%0.23922%0.217CC..  trans-121.8-25177.555.90000112.4G69 H70 D111T43-G69 CarbonylContact O-C 3.53Å; T43-G69 WeakPolarHBondContact O-CA 3.37Å; T43-H70 PolarHBondContact O-N 3.49Å; T43-D111 WeakPolarHBondContact CA-OD2 3.19Å; T43-D111 PolarHBondContact N-OD2 3.3Å; T43-D111 PolarHBondContact OG1-OD2 3.5Å
44R96.9Very high96.2Very high53 Ų5339.2 Ų39.220%0.221%0.211CC..EExtended strand (participates in β ladder)trans-127.2117.9177.1-67.4172.4-57.6-57.3-19.3109.5H70 F105 P109 D111 L112R44-H70 WeakPolarHBondContact CA-O 3.24Å; R44-H70 HydrophobicContact CG-CB 4.43Å; R44-F105 HydrophobicContact CB-CD1 4.06Å; R44-F105 HydrophobicContact CB-CE1 3.88Å; R44-F105 HydrophobicContact CB-CE2 4.49Å; R44-F105 HydrophobicContact CB-CG 4.46Å; R44-F105 HydrophobicContact CB-CZ 4.12Å; R44-F105 HydrophobicContact CG-CD1 3.84Å; R44-F105 HydrophobicContact CG-CE1 4.08Å; R44-F105 HydrophobicContact CG-CG 4.33Å; R44-P109 PolarHBondContact NE-O 3.4Å; R44-P109 PolarHBondContact NH2-O 3.27Å; R44-D111 IonicContact CZ-OD1 2.98Å; R44-D111 IonicContact CZ-OD2 3.75Å; R44-D111 PolarHBondContact N-OD2 2.79Å; R44-D111 IonicContact NH1-OD2 3.25Å; R44-D111 IonicContact NH2-OD1 3.17Å; R44-D111 PolarHBondContact NH2-OD1 2.82Å; R44-D111 IonicContact NH2-OD2 3.78Å; R44-D111 PolarHBondContact NH2-OD2 2.86Å; R44-D111 PolarHBondContact O-N 3.4Å; R44-L112 PolarHBondContact O-N 2.96Å
45A98.1Very high96.3Very high0 Ų032.4 Ų32.40%018%0.181CC..EExtended strand (participates in β ladder)trans-125.3142178.800000112.2V42 L59 I63 H70 V71 V72 L112V42-A45 HydrophobicContact CG1-CB 4.22Å; A45-L59 HydrophobicContact CB-CD1 4.16Å; A45-L59 HydrophobicContact CB-CD2 4.07Å; A45-I63 HydrophobicContact CB-CD1 3.63Å; A45-H70 PolarHBondContact N-O 3.33Å; A45-V71 WeakPolarHBondContact O-CA 3.36Å; A45-V72 PolarHBondContact O-N 2.9Å; A45-L112 CarbonylContact C-O 3.56Å; A45-L112 VanDerWaalsContact CA-O 3.25Å; A45-L112 WeakPolarHBondContact CA-O 3.07Å; A45-L112 HydrophobicContact CB-CB 4.37Å
46V98.7Very high96.4Very high0 Ų028 Ų280%016%0.161CC..EExtended strand (participates in β ladder)trans-112.5129.8173.9-177.20000109.4L48 V72 I101 F105 A110 L112 V113 V114 V146V46-L48 HydrophobicContact CG1-CD2 3.6Å; V46-L48 HydrophobicContact CG1-CG 4.05Å; V46-V72 CarbonylContact C-O 3.56Å; V46-V72 VanDerWaalsContact CA-O 3.25Å; V46-V72 WeakPolarHBondContact CA-O 3.45Å; V46-I101 HydrophobicContact CG1-CD1 4.23Å; V46-I101 HydrophobicContact CG2-CG2 3.72Å; V46-F105 HydrophobicContact CG2-CE2 3.51Å; V46-F105 HydrophobicContact CG2-CZ 3.85Å; V46-A110 HydrophobicContact CG2-CB 3.84Å; V46-L112 PolarHBondContact N-O 3.33Å; V46-V113 HydrophobicContact CB-CG1 4.4Å; V46-V113 HydrophobicContact CB-CG2 4.06Å; V46-V113 HydrophobicContact CG2-CG2 4.35Å; V46-V113 CarbonylContact O-C 3.52Å; V46-V113 WeakPolarHBondContact O-CA 3.32Å; V46-V114 PolarHBondContact O-N 3.22Å; V46-V146 HydrophobicContact CG2-CG2 4.35Å
47D98.7Very high96.4Very high1 Ų128 Ų281%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-109.3109.2172-171.314.4000109.1A50 W55 S56 L59 V72 A73 V74 V114D47-A50 HydrophobicContact CB-CB 4.08Å; D47-A50 WeakPolarHBondContact OD2-CB 3.38Å; D47-W55 WeakPolarHBondContact OD2-CB 3.3Å; D47-S56 WeakPolarHBondContact OD2-CA 3.43Å; D47-S56 WeakPolarHBondContact OD2-CB 3.25Å; D47-S56 PolarHBondContact OD2-N 2.9Å; D47-S56 PolarHBondContact OD2-OG 3.34Å; D47-L59 HydrophobicContact CB-CD1 3.94Å; D47-V72 PolarHBondContact N-O 3.28Å; D47-A73 HydrophobicContact CB-CB 4.16Å; D47-A73 CarbonylContact O-C 3.56Å; D47-A73 WeakPolarHBondContact O-CA 3.12Å; D47-V74 PolarHBondContact O-N 3.16Å; D47-V114 HydrophobicContact CB-CG2 4.05Å
48L98.6Very high96.5Very high0 Ų021.8 Ų21.80%013%0.132CC..EExtended strand (participates in β ladder)trans-94.6144-179.8-58.1175.6000110.4V46 A50 V74 I92 V113 V114 C115 A139 I142V46-L48 HydrophobicContact CG1-CD2 3.6Å; V46-L48 HydrophobicContact CG1-CG 4.05Å; L48-A50 PolarHBondContact O-N 2.87Å; L48-V74 CarbonylContact C-O 3.47Å; L48-V74 HydrophobicContact CD2-CB 4.23Å; L48-V74 HydrophobicContact CD2-CG2 4.28Å; L48-I92 HydrophobicContact CB-CG2 4.44Å; L48-I92 HydrophobicContact CD2-CG2 3.97Å; L48-V113 HydrophobicContact CD1-CG1 3.59Å; L48-V113 HydrophobicContact CG-CG1 4.01Å; L48-V114 PolarHBondContact N-O 2.88Å; L48-C115 HydrophobicContact CB-CB 4.1Å; L48-C115 WeakPolarHBondContact O-CA 3.27Å; L48-A139 HydrophobicContact CD1-CB 3.98Å; L48-I142 HydrophobicContact CD1-CG2 3.53Å; L48-I142 HydrophobicContact CD2-CG2 4.14Å
49C97.2Very high96.6Very high27 Ų2721.6 Ų21.618%0.18213%0.131CC..SBendtrans51.946.3-174.4-55.80000111A51 V74 D75 G117C49-A51 PolarHBondContact O-N 2.94Å; C49-V74 WeakPolarHBondContact CA-O 3.24Å; C49-V74 PolarHBondContact N-O 2.86Å; C49-D75 VanDerWaalsContact CA-OD2 3.23Å; C49-D75 WeakPolarHBondContact CA-OD2 3.5Å; C49-G117 VanDerWaalsContact CB-CA 3.5Å
50A97.5Very high96.5Very high7 Ų722.1 Ų22.16%0.05814%0.136CC..  trans-73.4-20.9-163.700000114.4D47 L48 G53 A73 V74 D75 M79D47-A50 HydrophobicContact CB-CB 4.08Å; D47-A50 WeakPolarHBondContact OD2-CB 3.38Å; L48-A50 PolarHBondContact O-N 2.87Å; A50-G53 WeakPolarHBondContact O-CA 3.14Å; A50-G53 PolarHBondContact O-N 2.99Å; A50-A73 HydrophobicContact CB-CB 3.91Å; A50-V74 PolarHBondContact N-O 3.05Å; A50-V74 VanDerWaalsContact N-O 3.07Å; A50-D75 PolarHBondContact N-OD2 3.32Å; A50-M79 HydrophobicContact CB-CE 3.7Å; A50-M79 HydrophobicContact CB-SD 3.72Å
51A94.9Very high96.6Very high30 Ų3021 Ų2125%0.24813%0.131CC..THydrogen-bonded Turntrans-58.4132.3-170.900000111.5C49 D75 Q77 M79C49-A51 PolarHBondContact O-N 2.94Å; A51-D75 HydrophobicContact CB-CB 4.04Å; A51-D75 VanDerWaalsContact CB-OD2 3.26Å; A51-D75 WeakPolarHBondContact CB-OD2 3.47Å; A51-D75 PolarHBondContact N-OD2 3.43Å; A51-Q77 HydrophobicContact CB-CB 4.09Å; A51-M79 HydrophobicContact CB-CG 3.9Å; A51-M79 HydrophobicContact CB-SD 4.32Å
52P95.5Very high96.6Very high48 Ų4823 Ų2331%0.31212%0.123SC..THydrogen-bonded Turncis-88.489.736-37.7000115.3R22 A23R22-P52 HydrophobicContact CB-CG 4.47Å; R22-P52 WeakPolarHBondContact CD-O 3.14Å; R22-P52 PolarHBondContact NH1-O 3.28Å; A23-P52 HydrophobicContact CB-CG 4.27Å
53G96.4Very high96.3Very high0 Ų022.6 Ų22.60%012%0.12CC..THydrogen-bonded Turntrans103.323.117500000114.3A50 S56 Q57 L82A50-G53 WeakPolarHBondContact O-CA 3.14Å; A50-G53 PolarHBondContact O-N 2.99Å; G53-S56 WeakPolarHBondContact O-CB 3.28Å; G53-Q57 VanDerWaalsContact O-CG 3.32Å; G53-Q57 WeakPolarHBondContact O-CG 3.27Å; G53-Q57 PolarHBondContact O-N 2.94Å; G53-L82 WeakPolarHBondContact O-CD1 3.3Å
54S97Very high95.2Very high4 Ų422.1 Ų22.13%0.02812%0.123CC..Hα-helixtrans-71.4-33.4-176.675.10000113.5S25 V58S25-S54 PolarHBondContact OG-OG 3.41Å; S54-V58 PolarHBondContact O-N 2.72Å
55W98.1Very high93.8Very high3 Ų322.9 Ų22.91%0.01115%0.148CC..Hα-helixtrans-74.7-42.6173.4-80.425.7000110.6S25 K28 L29 L32 D47 Q57 V58 L59 V114 D116 V154 F193S25-W55 PolarHBondContact O-NE1 3.39Å; K28-W55 HydrophobicContact CB-CZ2 4.17Å; L29-W55 HydrophobicContact CB-CD2 3.87Å; L29-W55 HydrophobicContact CB-CG 4.07Å; L29-W55 HydrophobicContact CB-CZ2 4.02Å; L29-W55 HydrophobicContact CD1-CD2 4.44Å; L29-W55 HydrophobicContact CD1-CE3 4.26Å; L29-W55 HydrophobicContact CD1-CH2 4.41Å; L29-W55 HydrophobicContact CD1-CZ3 4.26Å; L29-W55 HydrophobicContact CD2-CB 3.9Å; L29-W55 HydrophobicContact CD2-CD2 3.91Å; L29-W55 HydrophobicContact CD2-CE3 4.18Å; L29-W55 HydrophobicContact CD2-CG 3.83Å; L29-W55 HydrophobicContact CG-CD2 4.28Å; L32-W55 HydrophobicContact CD1-CH2 4.26Å; L32-W55 HydrophobicContact CD1-CZ2 4.5Å; D47-W55 WeakPolarHBondContact OD2-CB 3.3Å; W55-Q57 PolarHBondContact O-N 3.38Å; W55-V58 WeakPolarHBondContact O-CA 3.25Å; W55-V58 WeakPolarHBondContact O-CB 3.39Å; W55-V58 PolarHBondContact O-N 3.47Å; W55-L59 WeakPolarHBondContact O-CG 3.41Å; W55-L59 PolarHBondContact O-N 2.85Å; W55-V114 HydrophobicContact CE3-CB 3.67Å; W55-V114 HydrophobicContact CE3-CG2 3.66Å; W55-V114 HydrophobicContact CZ3-CB 3.73Å; W55-V114 HydrophobicContact CZ3-CG2 4.25Å; W55-D116 HydrophobicContact CD2-CB 3.71Å; W55-D116 HydrophobicContact CE3-CB 3.9Å; W55-D116 HydrophobicContact CG-CB 4.34Å; W55-D116 HydrophobicContact CH2-CB 4.02Å; W55-D116 HydrophobicContact CZ2-CB 3.79Å; W55-D116 HydrophobicContact CZ3-CB 4.03Å; W55-V154 HydrophobicContact CH2-CG1 4.43Å; W55-F193 AromaticContact CH2-CD1 3.69Å; W55-F193 HydrophobicContact CH2-CD1 3.69Å; W55-F193 AromaticContact CH2-CE1 3.39Å; W55-F193 HydrophobicContact CH2-CE1 3.39Å; W55-F193 HydrophobicContact CH2-CZ 4.34Å; W55-F193 HydrophobicContact CZ2-CD1 4.21Å; W55-F193 AromaticContact CZ2-CE1 3.54Å; W55-F193 HydrophobicContact CZ2-CE1 3.54Å; W55-F193 HydrophobicContact CZ2-CZ 4.06Å
56S97.9Very high92.2Very high0 Ų028.3 Ų28.30%017%0.173CC..Hα-helixtrans-51.7-41169.8-60.80000113D47 G53 S60 A73D47-S56 WeakPolarHBondContact OD2-CA 3.43Å; D47-S56 WeakPolarHBondContact OD2-CB 3.25Å; D47-S56 PolarHBondContact OD2-N 2.9Å; D47-S56 PolarHBondContact OD2-OG 3.34Å; G53-S56 WeakPolarHBondContact O-CB 3.28Å; S56-S60 WeakPolarHBondContact O-CB 3.41Å; S56-S60 PolarHBondContact O-N 2.76Å; S56-A73 WeakPolarHBondContact OG-CB 3.37Å
57Q96.9Very high90.5Very high22 Ų2231.9 Ų31.910%0.10321%0.21CC..Hα-helixtrans-61.9-46.1174-79.2-177.7-47.900112.3W21 R22 G53 W55 S60 Q61 L82W21-Q57 HydrophobicContact CE3-CB 3.9Å; W21-Q57 HydrophobicContact CZ3-CB 3.78Å; R22-Q57 VanDerWaalsContact CB-OE1 3.31Å; R22-Q57 VanDerWaalsContact CG-OE1 3.24Å; G53-Q57 VanDerWaalsContact O-CG 3.32Å; G53-Q57 WeakPolarHBondContact O-CG 3.27Å; G53-Q57 PolarHBondContact O-N 2.94Å; W55-Q57 PolarHBondContact O-N 3.38Å; Q57-S60 PolarHBondContact O-N 2.82Å; Q57-Q61 WeakPolarHBondContact O-CG 3.25Å; Q57-Q61 PolarHBondContact O-N 3.39Å; Q57-Q61 VanDerWaalsContact O-N 3.09Å; Q57-L82 HydrophobicContact CG-CD1 3.8Å; Q57-L82 HydrophobicContact CG-CD2 3.33Å; Q57-L82 HydrophobicContact CG-CG 4.22Å
58V97.3Very high89.3Confident0 Ų035 Ų350%023%0.231CC..Hα-helixtrans-62-47.9178.2171.10000110.2W21 A26 L29 L30 F39 S54 W55 S60 Q61 K62W21-V58 HydrophobicContact CE3-CG2 4.01Å; W21-V58 HydrophobicContact CH2-CB 4.46Å; W21-V58 HydrophobicContact CH2-CG2 3.77Å; W21-V58 HydrophobicContact CZ2-CG2 4.36Å; W21-V58 HydrophobicContact CZ3-CB 4.32Å; W21-V58 HydrophobicContact CZ3-CG2 3.58Å; A26-V58 HydrophobicContact CB-CG2 3.75Å; L29-V58 HydrophobicContact CD2-CB 4.11Å; L29-V58 HydrophobicContact CD2-CG1 3.95Å; L29-V58 HydrophobicContact CG-CG1 4.22Å; L30-V58 HydrophobicContact CD1-CG2 4.37Å; L30-V58 HydrophobicContact CD2-CG1 3.68Å; L30-V58 HydrophobicContact CD2-CG2 4.42Å; L30-V58 HydrophobicContact CG-CG1 3.97Å; L30-V58 HydrophobicContact CG-CG2 4.07Å; F39-V58 HydrophobicContact CE2-CG1 3.98Å; F39-V58 HydrophobicContact CZ-CG1 3.83Å; S54-V58 PolarHBondContact O-N 2.72Å; W55-V58 WeakPolarHBondContact O-CA 3.25Å; W55-V58 WeakPolarHBondContact O-CB 3.39Å; W55-V58 PolarHBondContact O-N 3.47Å; V58-S60 PolarHBondContact O-N 2.93Å; V58-Q61 PolarHBondContact O-N 3.31Å; V58-K62 HydrophobicContact CG1-CG 4.18Å; V58-K62 WeakPolarHBondContact O-CB 3.44Å; V58-K62 VanDerWaalsContact O-CG 3.26Å; V58-K62 WeakPolarHBondContact O-CG 3.32Å; V58-K62 PolarHBondContact O-N 2.98Å
59L97.1Very high88.6Confident0 Ų035.9 Ų35.90%024%0.241CC..Hα-helixtrans-58.1-48.9178.2-67.8172.5000111.4L29 F39 A45 D47 W55 Q61 K62 I63 V71 L112 V114L29-L59 HydrophobicContact CD2-CD2 4.16Å; L29-L59 HydrophobicContact CD2-CG 4.13Å; F39-L59 HydrophobicContact CD1-CD2 4.26Å; F39-L59 HydrophobicContact CE1-CD2 3.57Å; F39-L59 HydrophobicContact CZ-CD2 4.23Å; A45-L59 HydrophobicContact CB-CD1 4.16Å; A45-L59 HydrophobicContact CB-CD2 4.07Å; D47-L59 HydrophobicContact CB-CD1 3.94Å; W55-L59 WeakPolarHBondContact O-CG 3.41Å; W55-L59 PolarHBondContact O-N 2.85Å; L59-Q61 VanDerWaalsContact C-N 3.34Å; L59-Q61 PolarHBondContact O-N 2.93Å; L59-K62 PolarHBondContact O-N 2.8Å; L59-I63 HydrophobicContact CB-CD1 4.11Å; L59-I63 HydrophobicContact CD2-CD1 3.57Å; L59-I63 HydrophobicContact CG-CD1 4.44Å; L59-I63 VanDerWaalsContact O-CB 3.26Å; L59-I63 WeakPolarHBondContact O-CB 3.26Å; L59-I63 PolarHBondContact O-N 3.01Å; L59-V71 HydrophobicContact CB-CG1 3.99Å; L59-V71 HydrophobicContact CB-CG2 3.88Å; L59-V71 HydrophobicContact CD1-CG1 4.07Å; L59-L112 HydrophobicContact CD2-CD2 4Å; L59-V114 HydrophobicContact CD1-CG2 3.82Å
60S95.3Very high88.5Confident22 Ų2239.1 Ų39.115%0.15425%0.253CS..Hα-helixtrans-60.1-43179.4177.10000112.1S56 Q57 V58 G64 P83S56-S60 WeakPolarHBondContact O-CB 3.41Å; S56-S60 PolarHBondContact O-N 2.76Å; Q57-S60 PolarHBondContact O-N 2.82Å; V58-S60 PolarHBondContact O-N 2.93Å; S60-G64 WeakPolarHBondContact O-CA 3.44Å; S60-G64 PolarHBondContact O-N 3.29Å; S60-P83 PolarHBondContact OG-O 3.09Å
61Q93.7Very high88.5Confident118 Ų11839 Ų3955%0.55125%0.251SS*.Hα-helixtrans-69.8-37178.6-70.2-177.721.300113.2W21 Q57 V58 L59W21-Q61 VanDerWaalsContact CH2-CD 3.48Å; Q57-Q61 WeakPolarHBondContact O-CG 3.25Å; Q57-Q61 PolarHBondContact O-N 3.39Å; Q57-Q61 VanDerWaalsContact O-N 3.09Å; V58-Q61 PolarHBondContact O-N 3.31Å; L59-Q61 VanDerWaalsContact C-N 3.34Å; L59-Q61 PolarHBondContact O-N 2.93Å
62K93.1Very high88.6Confident99 Ų9937.6 Ų37.643%0.4324%0.24SC..Hα-helixtrans-85-40.8-174.2-68.9-73.3-175.6174.30113.4F39 V58 L59F39-K62 HydrophobicContact CD2-CB 3.53Å; F39-K62 HydrophobicContact CD2-CD 4.2Å; F39-K62 HydrophobicContact CD2-CG 3.76Å; F39-K62 HydrophobicContact CE2-CB 3.79Å; F39-K62 HydrophobicContact CE2-CD 4.34Å; F39-K62 HydrophobicContact CE2-CG 3.65Å; F39-K62 HydrophobicContact CG-CB 4.18Å; V58-K62 HydrophobicContact CG1-CG 4.18Å; V58-K62 WeakPolarHBondContact O-CB 3.44Å; V58-K62 VanDerWaalsContact O-CG 3.26Å; V58-K62 WeakPolarHBondContact O-CG 3.32Å; V58-K62 PolarHBondContact O-N 2.98Å; L59-K62 PolarHBondContact O-N 2.8Å
63I89.1Confident88.8Confident1 Ų135.3 Ų35.31%0.00523%0.225CC..Hα-helixtrans-93.3-43.7-177.7-60.8158.8000110.2F39 V42 A45 L59 G65 Q66F39-I63 HydrophobicContact CB-CG1 4.48Å; F39-I63 HydrophobicContact CD1-CD1 4.26Å; F39-I63 HydrophobicContact CD1-CG1 4.41Å; V42-I63 HydrophobicContact CB-CD1 4.41Å; V42-I63 HydrophobicContact CB-CG1 4.4Å; V42-I63 HydrophobicContact CG1-CD1 3.54Å; V42-I63 HydrophobicContact CG1-CG1 3.97Å; V42-I63 HydrophobicContact CG1-CG2 4.36Å; V42-I63 VanDerWaalsContact O-CG2 3.31Å; V42-I63 WeakPolarHBondContact O-CG2 3.29Å; A45-I63 HydrophobicContact CB-CD1 3.63Å; L59-I63 HydrophobicContact CB-CD1 4.11Å; L59-I63 HydrophobicContact CD2-CD1 3.57Å; L59-I63 HydrophobicContact CG-CD1 4.44Å; L59-I63 VanDerWaalsContact O-CB 3.26Å; L59-I63 WeakPolarHBondContact O-CB 3.26Å; L59-I63 PolarHBondContact O-N 3.01Å; I63-G65 VanDerWaalsContact C-N 3.3Å; I63-G65 PolarHBondContact O-N 3.25Å; I63-Q66 WeakPolarHBondContact O-CB 3.32Å; I63-Q66 PolarHBondContact O-N 2.91Å; I63-Q66 VanDerWaalsContact O-N 3.14Å
64G71.6Confident88.9Confident29 Ų2935.3 Ų35.330%0.29923%0.225SC..G310 helixtrans-66.1-29.7177.800000113.5S60 Q66 G67S60-G64 WeakPolarHBondContact O-CA 3.44Å; S60-G64 PolarHBondContact O-N 3.29Å; G64-Q66 PolarHBondContact O-N 3.13Å; G64-Q66 VanDerWaalsContact O-N 3.1Å; G64-G67 PolarHBondContact O-N 2.94Å; G64-G67 VanDerWaalsContact O-N 3.09Å
65G66.3Low88.9Confident69 Ų6936 Ų3671%0.71123%0.229SC*.G310 helixtrans-61.4-14.4172.500000114.6I63 G67I63-G65 VanDerWaalsContact C-N 3.3Å; I63-G65 PolarHBondContact O-N 3.25Å; G65-G67 VanDerWaalsContact C-N 3.34Å
66Q66.1Low88.7Confident114 Ų11441.4 Ų41.453%0.53326%0.257SS..G310 helixtrans-87.72.5176.5-57.7-174.1-7.600113.5I63 G64 S68I63-Q66 WeakPolarHBondContact O-CB 3.32Å; I63-Q66 PolarHBondContact O-N 2.91Å; I63-Q66 VanDerWaalsContact O-N 3.14Å; G64-Q66 PolarHBondContact O-N 3.13Å; G64-Q66 VanDerWaalsContact O-N 3.1Å; Q66-S68 PolarHBondContact O-N 3.32Å
67G63.1Low88.5Confident75 Ų7545.6 Ų45.677%0.77328%0.277SS*.SBendtrans89.4-16.3169.900000116.4G64 G65G64-G67 PolarHBondContact O-N 2.94Å; G64-G67 VanDerWaalsContact O-N 3.09Å; G65-G67 VanDerWaalsContact C-N 3.34Å
68S72.9Confident88.3Confident66 Ų6646.8 Ų46.846%0.46229%0.29SS..SBendtrans-130.810.7179.162.20000114.1Q66 H70Q66-S68 PolarHBondContact O-N 3.32Å; S68-H70 PolarHBondContact O-CE1 3.38Å; S68-H70 VanDerWaalsContact O-CE1 3.31Å; S68-H70 PolarHBondContact O-ND1 3.37Å
69G84.7Confident88.2Confident19 Ų1947.9 Ų47.920%0.19630%0.296CS..  trans-71129.2-177.600000113.7T43T43-G69 CarbonylContact O-C 3.53Å; T43-G69 WeakPolarHBondContact O-CA 3.37Å
70H93.4Very high88Confident96 Ų9648.3 Ų48.344%0.44430%0.299SS..EExtended strand (participates in β ladder)trans-119.5124.4175.4-63.273.9000109.6T43 R44 A45 S68 F105T43-H70 PolarHBondContact O-N 3.49Å; R44-H70 WeakPolarHBondContact CA-O 3.24Å; R44-H70 HydrophobicContact CG-CB 4.43Å; A45-H70 PolarHBondContact N-O 3.33Å; S68-H70 PolarHBondContact O-CE1 3.38Å; S68-H70 VanDerWaalsContact O-CE1 3.31Å; S68-H70 PolarHBondContact O-ND1 3.37Å; H70-F105 HydrophobicContact CB-CD1 4.17Å; H70-F105 HydrophobicContact CB-CE1 3.96Å
71V97.3Very high88Confident3 Ų352.7 Ų52.72%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-118127.8178.3-175.90000109.1A45 L59 V85 V86A45-V71 WeakPolarHBondContact O-CA 3.36Å; L59-V71 HydrophobicContact CB-CG1 3.99Å; L59-V71 HydrophobicContact CB-CG2 3.88Å; L59-V71 HydrophobicContact CD1-CG1 4.07Å; V71-V85 HydrophobicContact CB-CG1 4.5Å; V71-V85 HydrophobicContact CB-CG2 4.25Å; V71-V85 HydrophobicContact CG1-CG1 4.12Å; V71-V85 HydrophobicContact CG1-CG2 4.24Å; V71-V86 PolarHBondContact O-N 3Å
72V98.3Very high88Confident2 Ų247.8 Ų47.81%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-114.3126.6171.3178.20000107.8A45 V46 D47 V74 V86 I88 I101 H104 F105A45-V72 PolarHBondContact O-N 2.9Å; V46-V72 CarbonylContact C-O 3.56Å; V46-V72 VanDerWaalsContact CA-O 3.25Å; V46-V72 WeakPolarHBondContact CA-O 3.45Å; D47-V72 PolarHBondContact N-O 3.28Å; V72-V74 HydrophobicContact CG1-CG2 4.39Å; V72-V86 CarbonylContact C-O 3.52Å; V72-V86 WeakPolarHBondContact CA-O 3.07Å; V72-V86 HydrophobicContact CG2-CB 4.22Å; V72-I88 HydrophobicContact CG1-CD1 3.49Å; V72-I88 VanDerWaalsContact CG1-CD1 3.49Å; V72-I88 HydrophobicContact CG1-CG1 4.13Å; V72-I101 HydrophobicContact CG1-CG1 4.05Å; V72-I101 HydrophobicContact CG1-CG2 4.42Å; V72-H104 HydrophobicContact CG2-CB 3.78Å; V72-F105 HydrophobicContact CB-CE1 4.41Å; V72-F105 HydrophobicContact CB-CZ 3.95Å; V72-F105 HydrophobicContact CG2-CD1 4.24Å; V72-F105 HydrophobicContact CG2-CE1 3.57Å; V72-F105 HydrophobicContact CG2-CE2 4.23Å; V72-F105 HydrophobicContact CG2-CZ 3.56Å
73A98.5Very high88Confident0 Ų048.5 Ų48.50%032%0.32CS..EExtended strand (participates in β ladder)trans-118.2133.5-179.700000110.1D47 A50 S56 M79 V85 V86 Q87 I88D47-A73 HydrophobicContact CB-CB 4.16Å; D47-A73 CarbonylContact O-C 3.56Å; D47-A73 WeakPolarHBondContact O-CA 3.12Å; A50-A73 HydrophobicContact CB-CB 3.91Å; S56-A73 WeakPolarHBondContact OG-CB 3.37Å; A73-M79 HydrophobicContact CB-CE 3.69Å; A73-V85 HydrophobicContact CB-CG1 3.65Å; A73-V86 PolarHBondContact N-O 3.16Å; A73-Q87 CarbonylContact O-C 3.39Å; A73-Q87 WeakPolarHBondContact O-CA 3.26Å; A73-I88 PolarHBondContact O-N 3.28Å
74V98.6Very high88.1Confident0 Ų051.3 Ų51.30%035%0.349CS..EExtended strand (participates in β ladder)trans-124.3129.2-173.6-173.40000109.4D47 L48 C49 A50 V72 I88 I92 T97 I101D47-V74 PolarHBondContact O-N 3.16Å; L48-V74 CarbonylContact C-O 3.47Å; L48-V74 HydrophobicContact CD2-CB 4.23Å; L48-V74 HydrophobicContact CD2-CG2 4.28Å; C49-V74 WeakPolarHBondContact CA-O 3.24Å; C49-V74 PolarHBondContact N-O 2.86Å; A50-V74 PolarHBondContact N-O 3.05Å; A50-V74 VanDerWaalsContact N-O 3.07Å; V72-V74 HydrophobicContact CG1-CG2 4.39Å; V74-I88 WeakPolarHBondContact CA-O 3.4Å; V74-I88 HydrophobicContact CG2-CB 4.28Å; V74-I88 HydrophobicContact CG2-CD1 4.35Å; V74-I92 HydrophobicContact CG1-CG2 3.95Å; V74-T97 HydrophobicContact CG1-CG2 3.52Å; V74-T97 HydrophobicContact CG2-CG2 4.39Å; V74-I101 HydrophobicContact CG2-CD1 3.84Å; V74-I101 HydrophobicContact CG2-CG1 3.96Å
75D98.1Very high89.3Confident19 Ų1950.8 Ų50.810%0.10234%0.34CS..EExtended strand (participates in β ladder)trans-152.5154.5170.7-157.9-76.1000110.8C49 A50 A51 Q77 I88 Q89 G90C49-D75 VanDerWaalsContact CA-OD2 3.23Å; C49-D75 WeakPolarHBondContact CA-OD2 3.5Å; A50-D75 PolarHBondContact N-OD2 3.32Å; A51-D75 HydrophobicContact CB-CB 4.04Å; A51-D75 VanDerWaalsContact CB-OD2 3.26Å; A51-D75 WeakPolarHBondContact CB-OD2 3.47Å; A51-D75 PolarHBondContact N-OD2 3.43Å; D75-Q77 VanDerWaalsContact C-N 3.25Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.47Å; D75-Q77 PolarHBondContact OD1-N 3.38Å; D75-I88 PolarHBondContact N-O 2.97Å; D75-Q89 CarbonylContact O-C 3.5Å; D75-Q89 VanDerWaalsContact O-CA 3.25Å; D75-Q89 WeakPolarHBondContact O-CA 3.37Å; D75-G90 CarbonylContact C-O 3.58Å; D75-G90 PolarHBondContact O-N 3.36Å
76L93.9Very high90.7Very high115 Ų11550 Ų5060%0.60232%0.321SS*.SBendtrans-66.3-33.3170.3-71.6173.2000111.3Q89 G90 D91L76-Q89 WeakPolarHBondContact O-CG 3.38Å; L76-Q89 PolarHBondContact O-NE2 2.95Å; L76-G90 PolarHBondContact N-O 3.37Å; L76-D91 HydrophobicContact CD2-CB 3.63Å
77Q93Very high92.3Very high89 Ų8947.3 Ų47.342%0.41631%0.308SS..SBendtrans-85.8138.4178.3-57.7-175.215.100111A51 D75 M79A51-Q77 HydrophobicContact CB-CB 4.09Å; D75-Q77 VanDerWaalsContact C-N 3.25Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.47Å; D75-Q77 PolarHBondContact OD1-N 3.38Å; Q77-M79 PolarHBondContact O-N 3.48Å
78A93.1Very high93.9Very high47 Ų4744 Ų4439%0.38827%0.273SS..  trans-60.9132.1169.900000110.8
79M94.8Very high95.1Very high22 Ų2247.3 Ų47.311%0.10828%0.281CS..  trans-104149.9173.9-69-170-73.300110.8A50 A51 A73 Q77 Q87A50-M79 HydrophobicContact CB-CE 3.7Å; A50-M79 HydrophobicContact CB-SD 3.72Å; A51-M79 HydrophobicContact CB-CG 3.9Å; A51-M79 HydrophobicContact CB-SD 4.32Å; A73-M79 HydrophobicContact CB-CE 3.69Å; Q77-M79 PolarHBondContact O-N 3.48Å; M79-Q87 HydrophobicContact CE-CB 4.39Å; M79-Q87 HydrophobicContact CE-CG 4.09Å; M79-Q87 PolarHBondContact O-OE1 3.3Å
80A94.2Very high95.7Very high10 Ų1047 Ų478%0.08328%0.278CS..  trans-66.8142.9169.700000109.7R22 Q87 Q267 I270R22-A80 VanDerWaalsContact CZ-O 3.29Å; R22-A80 PolarHBondContact NH1-O 2.81Å; R22-A80 PolarHBondContact NH2-O 2.86Å; A80-Q87 PolarHBondContact O-NE2 3.13Å; A80-Q87 PolarHBondContact O-OE1 2.95Å; A80-Q267 HydrophobicContact CB-CG 3.61Å; A80-I270 HydrophobicContact CB-CD1 4.26Å
81P94.9Very high95.7Very high113 Ų11345 Ų4573%0.73427%0.271SS*.  trans-51.6142-178.5-2935.1000113.3R22R22-P81 PolarHBondContact NH2-O 2.78Å
82L93.7Very high95.5Very high16 Ų1645.4 Ų45.48%0.08427%0.273CS..  trans-125.5128.7176.8-79.8174.5000110.1R22 G53 Q57 G84 V85R22-L82 VanDerWaalsContact CZ-CG 3.46Å; R22-L82 VanDerWaalsContact NH2-CG 3.34Å; G53-L82 WeakPolarHBondContact O-CD1 3.3Å; Q57-L82 HydrophobicContact CG-CD1 3.8Å; Q57-L82 HydrophobicContact CG-CD2 3.33Å; Q57-L82 HydrophobicContact CG-CG 4.22Å; L82-G84 PolarHBondContact O-N 3.37Å; L82-V85 HydrophobicContact CB-CB 3.77Å; L82-V85 HydrophobicContact CB-CG2 3.75Å; L82-V85 HydrophobicContact CD1-CG2 4.37Å; L82-V85 PolarHBondContact O-N 3.39Å; L82-V85 VanDerWaalsContact O-N 3.17Å
83P91.8Very high95Very high114 Ų11447 Ų4774%0.7428%0.283SS*.THydrogen-bonded Turntrans-56.8133.5175-24.434.1000111.4S60 V85S60-P83 PolarHBondContact OG-O 3.09Å; P83-V85 PolarHBondContact O-N 3.3Å
84G91.1Very high94.6Very high60 Ų6051.6 Ų51.662%0.61930%0.304SS*.THydrogen-bonded Turntrans71.69.4179.200000115.3L82L82-G84 PolarHBondContact O-N 3.37Å
85V96.7Very high94.2Very high18 Ų1855.4 Ų55.411%0.10932%0.324CS..EExtended strand (participates in β ladder)trans-120.6123.5178.3-176.20000109.7V71 A73 L82 P83 Q87V71-V85 HydrophobicContact CB-CG1 4.5Å; V71-V85 HydrophobicContact CB-CG2 4.25Å; V71-V85 HydrophobicContact CG1-CG1 4.12Å; V71-V85 HydrophobicContact CG1-CG2 4.24Å; A73-V85 HydrophobicContact CB-CG1 3.65Å; L82-V85 HydrophobicContact CB-CB 3.77Å; L82-V85 HydrophobicContact CB-CG2 3.75Å; L82-V85 HydrophobicContact CD1-CG2 4.37Å; L82-V85 PolarHBondContact O-N 3.39Å; L82-V85 VanDerWaalsContact O-N 3.17Å; P83-V85 PolarHBondContact O-N 3.3Å; V85-Q87 HydrophobicContact CG1-CG 4.07Å
86V97.3Very high94.1Very high53 Ų5358.1 Ų58.132%0.32135%0.345SS..EExtended strand (participates in β ladder)trans-78.7129.2164.91750000108V71 V72 A73 H104V71-V86 PolarHBondContact O-N 3Å; V72-V86 CarbonylContact C-O 3.52Å; V72-V86 WeakPolarHBondContact CA-O 3.07Å; V72-V86 HydrophobicContact CG2-CB 4.22Å; A73-V86 PolarHBondContact N-O 3.16Å; V86-H104 VanDerWaalsContact CG1-CE1 3.47Å; V86-H104 WeakPolarHBondContact CG1-CE1 3.47Å
87Q98.1Very high94.2Very high56 Ų5652.9 Ų52.926%0.26232%0.317SS..EExtended strand (participates in β ladder)trans-114.2119.6-178.4-64.4176.9-21.100109.5A73 M79 A80 V85A73-Q87 CarbonylContact O-C 3.39Å; A73-Q87 WeakPolarHBondContact O-CA 3.26Å; M79-Q87 HydrophobicContact CE-CB 4.39Å; M79-Q87 HydrophobicContact CE-CG 4.09Å; M79-Q87 PolarHBondContact O-OE1 3.3Å; A80-Q87 PolarHBondContact O-NE2 3.13Å; A80-Q87 PolarHBondContact O-OE1 2.95Å; V85-Q87 HydrophobicContact CG1-CG 4.07Å
88I98.2Very high94.4Very high5 Ų548.7 Ų48.73%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-104.8122.9175-59.5170.6000107.1V72 A73 V74 D75 G90 E100 I101V72-I88 HydrophobicContact CG1-CD1 3.49Å; V72-I88 VanDerWaalsContact CG1-CD1 3.49Å; V72-I88 HydrophobicContact CG1-CG1 4.13Å; A73-I88 PolarHBondContact O-N 3.28Å; V74-I88 WeakPolarHBondContact CA-O 3.4Å; V74-I88 HydrophobicContact CG2-CB 4.28Å; V74-I88 HydrophobicContact CG2-CD1 4.35Å; D75-I88 PolarHBondContact N-O 2.97Å; I88-G90 PolarHBondContact O-N 2.73Å; I88-E100 HydrophobicContact CD1-CB 4.08Å; I88-E100 HydrophobicContact CD1-CG 3.72Å; I88-E100 HydrophobicContact CG1-CG 4.16Å; I88-E100 WeakPolarHBondContact CG2-OE2 3.44Å; I88-I101 HydrophobicContact CD1-CG1 3.88Å
89Q98.1Very high94.5Very high136 Ų13652.4 Ų52.464%0.63631%0.305SS*.EExtended strand (participates in β ladder)trans-87.399.6167.3-171-179.1-600108.2D75 L76D75-Q89 CarbonylContact O-C 3.5Å; D75-Q89 VanDerWaalsContact O-CA 3.25Å; D75-Q89 WeakPolarHBondContact O-CA 3.37Å; L76-Q89 WeakPolarHBondContact O-CG 3.38Å; L76-Q89 PolarHBondContact O-NE2 2.95Å
90G96.1Very high94.7Very high14 Ų1455.1 Ų55.114%0.14432%0.318CS..  trans-157.1158.2-168.300000113.7D75 L76 I88D75-G90 CarbonylContact C-O 3.58Å; D75-G90 PolarHBondContact O-N 3.36Å; L76-G90 PolarHBondContact N-O 3.37Å; I88-G90 PolarHBondContact O-N 2.73Å
91D93.1Very high94.8Very high54 Ų5454.6 Ų54.629%0.28931%0.314SS..  trans-90.8122.9175-177.3-16.7000109.4L76 T93 Q94 T97L76-D91 HydrophobicContact CD2-CB 3.63Å; D91-T93 PolarHBondContact O-N 3.22Å; D91-T93 VanDerWaalsContact O-N 3.16Å; D91-T93 WeakPolarHBondContact OD1-CB 3.49Å; D91-T93 WeakPolarHBondContact OD1-CG2 3.23Å; D91-T93 PolarHBondContact OD1-N 3.42Å; D91-T93 PolarHBondContact OD1-OG1 2.87Å; D91-T93 PolarHBondContact OD2-OG1 3.15Å; D91-T93 VanDerWaalsContact OD2-OG1 3.06Å; D91-Q94 HydrophobicContact CB-CG 3.75Å; D91-Q94 WeakPolarHBondContact O-CB 3.22Å; D91-Q94 PolarHBondContact O-N 3.5Å; D91-Q94 VanDerWaalsContact O-N 3.08Å; D91-T97 VanDerWaalsContact O-CB 3.27Å; D91-T97 WeakPolarHBondContact O-CB 3.27Å; D91-T97 PolarHBondContact O-OG1 3.36Å
92I94.9Very high94.9Very high11 Ų1151.9 Ų51.96%0.05629%0.292CS..THydrogen-bonded Turntrans-66.4-14.7-177.865.2170.6000113.3L48 V74 Q94 L135 A138 A139 I142L48-I92 HydrophobicContact CB-CG2 4.44Å; L48-I92 HydrophobicContact CD2-CG2 3.97Å; V74-I92 HydrophobicContact CG1-CG2 3.95Å; I92-Q94 VanDerWaalsContact C-N 3.28Å; I92-L135 HydrophobicContact CD1-CD1 4.06Å; I92-A138 HydrophobicContact CD1-CB 4.05Å; I92-A138 HydrophobicContact CG1-CB 4.34Å; I92-A139 HydrophobicContact CD1-CB 4.24Å; I92-I142 HydrophobicContact CB-CD1 4.34Å; I92-I142 HydrophobicContact CB-CG2 4.27Å
93T87.5Confident95Very high36 Ų3658.1 Ų58.122%0.22132%0.321CS..THydrogen-bonded Turntrans-80.8-9.6175.367.70000113D91 A138 P212D91-T93 PolarHBondContact O-N 3.22Å; D91-T93 VanDerWaalsContact O-N 3.16Å; D91-T93 WeakPolarHBondContact OD1-CB 3.49Å; D91-T93 WeakPolarHBondContact OD1-CG2 3.23Å; D91-T93 PolarHBondContact OD1-N 3.42Å; D91-T93 PolarHBondContact OD1-OG1 2.87Å; D91-T93 PolarHBondContact OD2-OG1 3.15Å; D91-T93 VanDerWaalsContact OD2-OG1 3.06Å; T93-A138 HydrophobicContact CG2-CB 4.04Å; T93-P212 HydrophobicContact CG2-CB 4.09Å
94Q89.9Confident95.2Very high96 Ų9656.4 Ų56.445%0.44930%0.303SS..SBendtrans-96.2135.3-174.8-59.1-61.9-39.900112.1D91 I92 S96 T97 A98D91-Q94 HydrophobicContact CB-CG 3.75Å; D91-Q94 WeakPolarHBondContact O-CB 3.22Å; D91-Q94 PolarHBondContact O-N 3.5Å; D91-Q94 VanDerWaalsContact O-N 3.08Å; I92-Q94 VanDerWaalsContact C-N 3.28Å; Q94-S96 PolarHBondContact O-N 2.78Å; Q94-T97 WeakPolarHBondContact O-CB 3.29Å; Q94-T97 PolarHBondContact O-N 2.98Å; Q94-T97 VanDerWaalsContact O-N 3.15Å; Q94-A98 PolarHBondContact O-N 2.82Å
95L90.3Very high95.4Very high79 Ų7954 Ų5441%0.41428%0.276SS..Hα-helixtrans-62.3-29.8175.4-179.662.5000112.6T97 A98 K99 L209L95-T97 VanDerWaalsContact C-N 3.32Å; L95-T97 PolarHBondContact O-N 3.42Å; L95-A98 PolarHBondContact O-N 2.72Å; L95-K99 HydrophobicContact CG-CD 4.26Å; L95-K99 HydrophobicContact CG-CG 4.5Å; L95-K99 WeakPolarHBondContact O-CG 3.22Å; L95-K99 PolarHBondContact O-N 3.09Å; L95-L209 HydrophobicContact CB-CB 4.38Å; L95-L209 HydrophobicContact CB-CD1 4.36Å; L95-L209 HydrophobicContact CD1-CD1 4.04Å
96S95.4Very high95.3Very high77 Ų7761.9 Ų61.954%0.53831%0.308SS..Hα-helixtrans-58.9-43.8174.647.80000111.7Q94 A98 K99 E100Q94-S96 PolarHBondContact O-N 2.78Å; S96-A98 PolarHBondContact O-N 3.29Å; S96-K99 PolarHBondContact O-N 3.41Å; S96-E100 WeakPolarHBondContact O-CB 3.26Å; S96-E100 PolarHBondContact O-N 3.2Å
97T97.1Very high95.1Very high4 Ų461.9 Ų61.93%0.02532%0.319CS..Hα-helixtrans-60.9-45.6177.1-51.30000111.3V74 D91 Q94 L95 K99 E100 I101 I142V74-T97 HydrophobicContact CG1-CG2 3.52Å; V74-T97 HydrophobicContact CG2-CG2 4.39Å; D91-T97 VanDerWaalsContact O-CB 3.27Å; D91-T97 WeakPolarHBondContact O-CB 3.27Å; D91-T97 PolarHBondContact O-OG1 3.36Å; Q94-T97 WeakPolarHBondContact O-CB 3.29Å; Q94-T97 PolarHBondContact O-N 2.98Å; Q94-T97 VanDerWaalsContact O-N 3.15Å; L95-T97 VanDerWaalsContact C-N 3.32Å; L95-T97 PolarHBondContact O-N 3.42Å; T97-K99 PolarHBondContact O-N 3.48Å; T97-E100 PolarHBondContact O-N 2.93Å; T97-I101 HydrophobicContact CG2-CD1 4.38Å; T97-I101 VanDerWaalsContact O-CG1 3.27Å; T97-I101 WeakPolarHBondContact O-CG1 3.47Å; T97-I101 PolarHBondContact O-N 2.8Å; T97-I142 HydrophobicContact CG2-CD1 4.08Å
98A95.7Very high95Very high1 Ų162.1 Ų62.11%0.00833%0.326CS..Hα-helixtrans-60.6-43.8176.500000112.2Q94 L95 S96 E100 I101 I102 I142 H145 L209Q94-A98 PolarHBondContact O-N 2.82Å; L95-A98 PolarHBondContact O-N 2.72Å; S96-A98 PolarHBondContact O-N 3.29Å; A98-E100 PolarHBondContact O-N 3.33Å; A98-I101 PolarHBondContact O-N 2.9Å; A98-I102 VanDerWaalsContact O-CG1 3.31Å; A98-I102 WeakPolarHBondContact O-CG1 3.28Å; A98-I102 PolarHBondContact O-N 3.14Å; A98-I102 VanDerWaalsContact O-N 3.09Å; A98-I142 HydrophobicContact CB-CD1 4.19Å; A98-I142 HydrophobicContact CB-CG1 4.03Å; A98-H145 HydrophobicContact CB-CB 4.33Å; A98-L209 HydrophobicContact CB-CD1 3.74Å
99K95.9Very high94.9Very high126 Ų12664.6 Ų64.655%0.54834%0.342SS..Hα-helixtrans-62.5-41.5176.9-73.8173.8176.4175.60112.2L95 S96 T97 I102 Q103L95-K99 HydrophobicContact CG-CD 4.26Å; L95-K99 HydrophobicContact CG-CG 4.5Å; L95-K99 WeakPolarHBondContact O-CG 3.22Å; L95-K99 PolarHBondContact O-N 3.09Å; S96-K99 PolarHBondContact O-N 3.41Å; T97-K99 PolarHBondContact O-N 3.48Å; K99-I102 PolarHBondContact O-N 3.08Å; K99-Q103 WeakPolarHBondContact O-CB 3.32Å; K99-Q103 PolarHBondContact O-N 3.37Å
100E97.8Very high94.9Very high78 Ų7858.1 Ų58.136%0.36431%0.312SS..Hα-helixtrans-64.7-42.6178.5-168176.2174.400111.5I88 S96 T97 A98 I102 Q103 H104I88-E100 HydrophobicContact CD1-CB 4.08Å; I88-E100 HydrophobicContact CD1-CG 3.72Å; I88-E100 HydrophobicContact CG1-CG 4.16Å; I88-E100 WeakPolarHBondContact CG2-OE2 3.44Å; S96-E100 WeakPolarHBondContact O-CB 3.26Å; S96-E100 PolarHBondContact O-N 3.2Å; T97-E100 PolarHBondContact O-N 2.93Å; A98-E100 PolarHBondContact O-N 3.33Å; E100-I102 PolarHBondContact O-N 3Å; E100-Q103 WeakPolarHBondContact O-CB 3.22Å; E100-Q103 PolarHBondContact O-N 3.49Å; E100-H104 PolarHBondContact O-CD2 2.66Å; E100-H104 PolarHBondContact O-N 2.91Å
101I97.8Very high95Very high0 Ų057.8 Ų57.80%031%0.307CS..Hα-helixtrans-57-51.1173.3-64.1164000110.7V46 V72 V74 I88 T97 A98 Q103 H104 F105 I142 V146V46-I101 HydrophobicContact CG1-CD1 4.23Å; V46-I101 HydrophobicContact CG2-CG2 3.72Å; V72-I101 HydrophobicContact CG1-CG1 4.05Å; V72-I101 HydrophobicContact CG1-CG2 4.42Å; V74-I101 HydrophobicContact CG2-CD1 3.84Å; V74-I101 HydrophobicContact CG2-CG1 3.96Å; I88-I101 HydrophobicContact CD1-CG1 3.88Å; T97-I101 HydrophobicContact CG2-CD1 4.38Å; T97-I101 VanDerWaalsContact O-CG1 3.27Å; T97-I101 WeakPolarHBondContact O-CG1 3.47Å; T97-I101 PolarHBondContact O-N 2.8Å; A98-I101 PolarHBondContact O-N 2.9Å; I101-Q103 VanDerWaalsContact C-N 3.28Å; I101-Q103 PolarHBondContact O-N 2.83Å; I101-H104 PolarHBondContact O-N 3.13Å; I101-F105 HydrophobicContact CG2-CD2 3.99Å; I101-F105 HydrophobicContact CG2-CE2 3.65Å; I101-F105 PolarHBondContact O-N 3.15Å; I101-F105 VanDerWaalsContact O-N 3.17Å; I101-I142 HydrophobicContact CD1-CD1 3.77Å; I101-I142 HydrophobicContact CD1-CG1 4.41Å; I101-V146 HydrophobicContact CB-CG1 4.28Å; I101-V146 HydrophobicContact CD1-CG1 4.32Å; I101-V146 HydrophobicContact CG2-CB 4.32Å; I101-V146 HydrophobicContact CG2-CG1 4.02Å
102I96.1Very high95.2Very high55 Ų5555.2 Ų55.228%0.28229%0.293SS..Hα-helixtrans-61.4-39.7-179.3-67.1165.3000110.8A98 K99 E100 H104 F105 K106 G107 V146A98-I102 VanDerWaalsContact O-CG1 3.31Å; A98-I102 WeakPolarHBondContact O-CG1 3.28Å; A98-I102 PolarHBondContact O-N 3.14Å; A98-I102 VanDerWaalsContact O-N 3.09Å; K99-I102 PolarHBondContact O-N 3.08Å; E100-I102 PolarHBondContact O-N 3Å; I102-H104 VanDerWaalsContact C-N 3.35Å; I102-H104 PolarHBondContact O-N 3.07Å; I102-F105 CarbonylContact O-C 3.58Å; I102-F105 PolarHBondContact O-N 3.34Å; I102-F105 VanDerWaalsContact O-N 3.16Å; I102-K106 PolarHBondContact O-N 3.16Å; I102-K106 VanDerWaalsContact O-N 3.13Å; I102-G107 PolarHBondContact O-N 3.13Å; I102-V146 HydrophobicContact CD1-CG1 4.42Å; I102-V146 HydrophobicContact CG1-CG1 4.11Å
103Q96.9Very high95.4Very high147 Ų14754.7 Ų54.769%0.68729%0.291SS*.Hα-helixtrans-61.3-42.7176.9-178.3177.9-9.100111.6K99 E100 I101 F105 K106K99-Q103 WeakPolarHBondContact O-CB 3.32Å; K99-Q103 PolarHBondContact O-N 3.37Å; E100-Q103 WeakPolarHBondContact O-CB 3.22Å; E100-Q103 PolarHBondContact O-N 3.49Å; I101-Q103 VanDerWaalsContact C-N 3.28Å; I101-Q103 PolarHBondContact O-N 2.83Å; Q103-F105 PolarHBondContact O-N 3.43Å; Q103-K106 WeakPolarHBondContact O-CA 3.28Å; Q103-K106 PolarHBondContact O-N 3.3Å
104H96.3Very high95.9Very high78 Ų7853 Ų5336%0.36128%0.28SS..Hα-helixtrans-64.6-28.8175.8-80.6-65.9000113.3V72 V86 E100 I101 I102 K106V72-H104 HydrophobicContact CG2-CB 3.78Å; V86-H104 VanDerWaalsContact CG1-CE1 3.47Å; V86-H104 WeakPolarHBondContact CG1-CE1 3.47Å; E100-H104 PolarHBondContact O-CD2 2.66Å; E100-H104 PolarHBondContact O-N 2.91Å; I101-H104 PolarHBondContact O-N 3.13Å; I102-H104 VanDerWaalsContact C-N 3.35Å; I102-H104 PolarHBondContact O-N 3.07Å; H104-K106 VanDerWaalsContact C-N 3.29Å
105F95.2Very high96.3Very high11 Ų1148.6 Ų48.65%0.04826%0.26CS..THydrogen-bonded Turntrans-87.911.1170.5-62-39.9000114.3R44 V46 H70 V72 I101 I102 Q103 G107 C108 A110R44-F105 HydrophobicContact CB-CD1 4.06Å; R44-F105 HydrophobicContact CB-CE1 3.88Å; R44-F105 HydrophobicContact CB-CE2 4.49Å; R44-F105 HydrophobicContact CB-CG 4.46Å; R44-F105 HydrophobicContact CB-CZ 4.12Å; R44-F105 HydrophobicContact CG-CD1 3.84Å; R44-F105 HydrophobicContact CG-CE1 4.08Å; R44-F105 HydrophobicContact CG-CG 4.33Å; V46-F105 HydrophobicContact CG2-CE2 3.51Å; V46-F105 HydrophobicContact CG2-CZ 3.85Å; H70-F105 HydrophobicContact CB-CD1 4.17Å; H70-F105 HydrophobicContact CB-CE1 3.96Å; V72-F105 HydrophobicContact CB-CE1 4.41Å; V72-F105 HydrophobicContact CB-CZ 3.95Å; V72-F105 HydrophobicContact CG2-CD1 4.24Å; V72-F105 HydrophobicContact CG2-CE1 3.57Å; V72-F105 HydrophobicContact CG2-CE2 4.23Å; V72-F105 HydrophobicContact CG2-CZ 3.56Å; I101-F105 HydrophobicContact CG2-CD2 3.99Å; I101-F105 HydrophobicContact CG2-CE2 3.65Å; I101-F105 PolarHBondContact O-N 3.15Å; I101-F105 VanDerWaalsContact O-N 3.17Å; I102-F105 CarbonylContact O-C 3.58Å; I102-F105 PolarHBondContact O-N 3.34Å; I102-F105 VanDerWaalsContact O-N 3.16Å; Q103-F105 PolarHBondContact O-N 3.43Å; F105-G107 PolarHBondContact O-N 3.19Å; F105-C108 WeakPolarHBondContact CB-O 3.31Å; F105-C108 WeakPolarHBondContact O-CB 3.29Å; F105-C108 PolarHBondContact O-N 3.18Å; F105-A110 HydrophobicContact CE2-CB 4.01Å
106K94.3Very high96.6Very high183 Ų18346 Ų4680%0.79625%0.246SC*.THydrogen-bonded Turntrans55.436.4179.1-53.4178.2-177.4176.10112.9I102 Q103 H104 C108I102-K106 PolarHBondContact O-N 3.16Å; I102-K106 VanDerWaalsContact O-N 3.13Å; Q103-K106 WeakPolarHBondContact O-CA 3.28Å; Q103-K106 PolarHBondContact O-N 3.3Å; H104-K106 VanDerWaalsContact C-N 3.29Å; K106-C108 VanDerWaalsContact C-N 3.31Å
107G92.8Very high96.5Very high52 Ų5242.6 Ų42.654%0.53622%0.224SC..THydrogen-bonded Turntrans85.9-6.7-178.300000114.8I102 F105I102-G107 PolarHBondContact O-N 3.13Å; F105-G107 PolarHBondContact O-N 3.19Å
108C94.9Very high96.1Very high61 Ų6144.7 Ų44.741%0.41224%0.241SC..PPolyproline II helixtrans-81.4138.4177.7-62.40000111.5F105 K106F105-C108 WeakPolarHBondContact CB-O 3.31Å; F105-C108 WeakPolarHBondContact O-CB 3.29Å; F105-C108 PolarHBondContact O-N 3.18Å; K106-C108 VanDerWaalsContact C-N 3.31Å
109P96.5Very high95.4Very high57 Ų5746.2 Ų46.237%0.3725%0.251SS..PPolyproline II helixtrans-73.1151.9176.430.4-35.7000112.2R44 V146 K148R44-P109 PolarHBondContact NE-O 3.4Å; R44-P109 PolarHBondContact NH2-O 3.27Å; P109-V146 CarbonylContact C-O 3.56Å; P109-V146 VanDerWaalsContact CA-O 3.32Å; P109-V146 WeakPolarHBondContact CA-O 3.3Å; P109-V146 WeakPolarHBondContact CB-O 3.13Å; P109-K148 HydrophobicContact CB-CB 3.77Å; P109-K148 HydrophobicContact CG-CB 3.6Å
110A97.9Very high94.6Very high0 Ų046.3 Ų46.30%026%0.258CS..EExtended strand (participates in β ladder)trans-66.5147.3175.300000111.9V46 F105 V113 V146 K148V46-A110 HydrophobicContact CG2-CB 3.84Å; F105-A110 HydrophobicContact CE2-CB 4.01Å; A110-V113 HydrophobicContact CB-CG2 4.3Å; A110-V146 PolarHBondContact N-O 2.73Å; A110-K148 WeakPolarHBondContact O-CG 3.28Å; A110-K148 PolarHBondContact O-N 3.41Å
111D98Very high93.5Very high8 Ų847.3 Ų47.34%0.04327%0.269CS..EExtended strand (participates in β ladder)trans-86.3-32.7173.1-53.3-60.3000111.3V42 T43 R44 K148 G151 C152V42-D111 HydrophobicContact CB-CB 4.35Å; V42-D111 HydrophobicContact CG1-CB 4.14Å; V42-D111 HydrophobicContact CG2-CB 4.13Å; T43-D111 WeakPolarHBondContact CA-OD2 3.19Å; T43-D111 PolarHBondContact N-OD2 3.3Å; T43-D111 PolarHBondContact OG1-OD2 3.5Å; R44-D111 IonicContact CZ-OD1 2.98Å; R44-D111 IonicContact CZ-OD2 3.75Å; R44-D111 PolarHBondContact N-OD2 2.79Å; R44-D111 IonicContact NH1-OD2 3.25Å; R44-D111 IonicContact NH2-OD1 3.17Å; R44-D111 PolarHBondContact NH2-OD1 2.82Å; R44-D111 IonicContact NH2-OD2 3.78Å; R44-D111 PolarHBondContact NH2-OD2 2.86Å; R44-D111 PolarHBondContact O-N 3.4Å; D111-K148 VanDerWaalsContact OD1-CD 3.3Å; D111-K148 WeakPolarHBondContact OD1-CD 3.41Å; D111-K148 WeakPolarHBondContact OD1-CE 3.39Å; D111-K148 IonicContact OD1-NZ 2.68Å; D111-K148 PolarHBondContact OD1-NZ 3.25Å; D111-G151 WeakPolarHBondContact O-CA 3.49Å; D111-C152 PolarHBondContact O-N 3.13Å
112L98.5Very high92.4Very high0 Ų051.3 Ų51.30%029%0.293CS..EExtended strand (participates in β ladder)trans-139.2132.3-176.1174.864.4000110.4F39 V42 R44 A45 V46 L59 V114 C152 V154F39-L112 HydrophobicContact CD1-CD2 3.97Å; F39-L112 HydrophobicContact CE1-CD2 4.01Å; V42-L112 HydrophobicContact CG1-CB 3.93Å; V42-L112 HydrophobicContact CG1-CD2 4.47Å; V42-L112 HydrophobicContact CG2-CB 4.05Å; R44-L112 PolarHBondContact O-N 2.96Å; A45-L112 CarbonylContact C-O 3.56Å; A45-L112 VanDerWaalsContact CA-O 3.25Å; A45-L112 WeakPolarHBondContact CA-O 3.07Å; A45-L112 HydrophobicContact CB-CB 4.37Å; V46-L112 PolarHBondContact N-O 3.33Å; L59-L112 HydrophobicContact CD2-CD2 4Å; L112-V114 HydrophobicContact CD1-CG1 3.84Å; L112-V114 HydrophobicContact CD2-CG1 3.95Å; L112-V114 HydrophobicContact CG-CG1 3.77Å; L112-C152 WeakPolarHBondContact CA-O 3.24Å; L112-C152 HydrophobicContact CD1-CB 3.73Å; L112-V154 HydrophobicContact CD1-CG2 4.34Å
113V98.8Very high91.4Very high0 Ų050.9 Ų50.90%030%0.303CS..EExtended strand (participates in β ladder)trans-119.1130.5168.4176.40000108.2V46 L48 A110 A143 V146 L147 C152 F153 V154V46-V113 HydrophobicContact CB-CG1 4.4Å; V46-V113 HydrophobicContact CB-CG2 4.06Å; V46-V113 HydrophobicContact CG2-CG2 4.35Å; V46-V113 CarbonylContact O-C 3.52Å; V46-V113 WeakPolarHBondContact O-CA 3.32Å; L48-V113 HydrophobicContact CD1-CG1 3.59Å; L48-V113 HydrophobicContact CG-CG1 4.01Å; A110-V113 HydrophobicContact CB-CG2 4.3Å; V113-A143 HydrophobicContact CB-CB 4.36Å; V113-A143 HydrophobicContact CG1-CB 4.08Å; V113-A143 HydrophobicContact CG2-CB 4.36Å; V113-V146 HydrophobicContact CG2-CG2 3.81Å; V113-L147 HydrophobicContact CB-CD1 4.45Å; V113-L147 HydrophobicContact CG2-CB 4.34Å; V113-L147 HydrophobicContact CG2-CD1 3.82Å; V113-C152 PolarHBondContact N-O 2.9Å; V113-F153 HydrophobicContact CB-CD2 3.97Å; V113-F153 HydrophobicContact CG1-CD2 3.8Å; V113-F153 HydrophobicContact CG1-CE2 4.02Å; V113-F153 CarbonylContact O-C 3.53Å; V113-F153 VanDerWaalsContact O-CA 3.3Å; V113-F153 WeakPolarHBondContact O-CA 3.19Å; V113-V154 PolarHBondContact O-N 3.46Å
114V98.8Very high90.4Very high0 Ų049.4 Ų49.40%030%0.299CS..EExtended strand (participates in β ladder)trans-125149.9178.8-56.60000111.6L29 V46 D47 L48 W55 L59 L112 V154L29-V114 HydrophobicContact CD1-CG1 4.32Å; V46-V114 PolarHBondContact O-N 3.22Å; D47-V114 HydrophobicContact CB-CG2 4.05Å; L48-V114 PolarHBondContact N-O 2.88Å; W55-V114 HydrophobicContact CE3-CB 3.67Å; W55-V114 HydrophobicContact CE3-CG2 3.66Å; W55-V114 HydrophobicContact CZ3-CB 3.73Å; W55-V114 HydrophobicContact CZ3-CG2 4.25Å; L59-V114 HydrophobicContact CD1-CG2 3.82Å; L112-V114 HydrophobicContact CD1-CG1 3.84Å; L112-V114 HydrophobicContact CD2-CG1 3.95Å; L112-V114 HydrophobicContact CG-CG1 3.77Å; V114-V154 CarbonylContact C-O 3.46Å; V114-V154 WeakPolarHBondContact CA-O 3.35Å; V114-V154 HydrophobicContact CG1-CB 4.19Å
115C98.1Very high89.6Confident4 Ų451.6 Ų51.63%0.02731%0.309CS..EExtended strand (participates in β ladder)trans-147.5107.4178.1-176.10000111.6L48 G117 A139 V154 A155 K156L48-C115 HydrophobicContact CB-CB 4.1Å; L48-C115 WeakPolarHBondContact O-CA 3.27Å; C115-G117 VanDerWaalsContact C-N 3.33Å; C115-A139 HydrophobicContact CB-CB 4.29Å; C115-V154 PolarHBondContact N-O 3.38Å; C115-A155 HydrophobicContact CB-CB 4.06Å; C115-A155 CarbonylContact O-C 3.33Å; C115-A155 VanDerWaalsContact O-CA 3.31Å; C115-A155 WeakPolarHBondContact O-CA 3.47Å; C115-K156 PolarHBondContact O-N 3.07Å
116D96.8Very high88.5Confident24 Ų2457.3 Ų57.313%0.12834%0.34CS..  trans-96.814.9170.9-166.742.7000111.8S25 K28 W55 K156 F193S25-D116 WeakPolarHBondContact CB-OD2 3.44Å; S25-D116 PolarHBondContact OG-OD2 3.09Å; K28-D116 IonicContact NZ-OD1 2.77Å; W55-D116 HydrophobicContact CD2-CB 3.71Å; W55-D116 HydrophobicContact CE3-CB 3.9Å; W55-D116 HydrophobicContact CG-CB 4.34Å; W55-D116 HydrophobicContact CH2-CB 4.02Å; W55-D116 HydrophobicContact CZ2-CB 3.79Å; W55-D116 HydrophobicContact CZ3-CB 4.03Å; D116-K156 VanDerWaalsContact O-CE 3.23Å; D116-K156 WeakPolarHBondContact O-CE 3.44Å; D116-K156 PolarHBondContact O-NZ 2.97Å; D116-K156 WeakPolarHBondContact OD1-CE 3.42Å; D116-K156 IonicContact OD1-NZ 2.6Å; D116-K156 PolarHBondContact OD1-NZ 2.98Å; D116-K156 IonicContact OD2-NZ 3.75Å; D116-F193 WeakPolarHBondContact OD1-CE1 3.47Å; D116-F193 WeakPolarHBondContact OD1-CZ 3.47Å
117G92.1Very high87.6Confident6 Ų651.7 Ų51.76%0.06232%0.321CS..  trans-59.8140.2-179.900000112.6C49 C115 Q132C49-G117 VanDerWaalsContact CB-CA 3.5Å; C115-G117 VanDerWaalsContact C-N 3.33Å; G117-Q132 PolarHBondContact O-NE2 3.45Å
118A88.8Confident87.2Confident48 Ų4849.3 Ų49.340%0.39730%0.296SS..  trans-143.4142.8168.700000109.9Q132 K156A118-Q132 VanDerWaalsContact CA-OE1 3.26Å; A118-K156 HydrophobicContact CB-CD 4.02Å
119P81.4Confident86.6Confident32 Ų3247.4 Ų47.421%0.20828%0.281CS..PPolyproline II helixtrans-68.5166.3171.332.5-34000110.4V121 M131P119-V121 PolarHBondContact O-N 3.47Å; P119-M131 HydrophobicContact CB-CB 4.09Å; P119-M131 HydrophobicContact CB-CE 4.39Å; P119-M131 HydrophobicContact CG-CB 3.71Å; P119-M131 HydrophobicContact CG-CE 4.42Å
120D78.2Confident85.9Confident129 Ų12950.8 Ų50.869%0.6929%0.287SS*.PPolyproline II helixtrans-62.1120169.5-73.4-38.8000109.4T122D120-T122 PolarHBondContact O-N 3.36Å
121V74.8Confident85.2Confident99 Ų9953.7 Ų53.760%0.630%0.301SS*.PPolyproline II helixtrans-72.5117.2-177.2-177.60000109P119 D128 F158P119-V121 PolarHBondContact O-N 3.47Å; V121-D128 WeakPolarHBondContact CG1-OD2 3.43Å; V121-F158 HydrophobicContact CG2-CZ 4.46Å
122T75.9Confident84.8Confident83 Ų8353.5 Ų53.551%0.50930%0.3SS..  trans-80.6-23.1-179.565.30000112.3D120 L124 D128 M131D120-T122 PolarHBondContact O-N 3.36Å; T122-L124 VanDerWaalsContact C-N 3.32Å; T122-L124 PolarHBondContact OG1-N 3.3Å; T122-D128 WeakPolarHBondContact CB-OD1 3.19Å; T122-D128 PolarHBondContact N-OD1 3.27Å; T122-D128 PolarHBondContact N-OD2 3.3Å; T122-D128 PolarHBondContact OG1-OD1 2.9Å; T122-D128 PolarHBondContact OG1-OD2 3.17Å; T122-M131 HydrophobicContact CG2-CE 3.92Å
123G75.6Confident84.3Confident47 Ų4754.2 Ų54.249%0.48531%0.306SS..SBendtrans90.8-6.2-172.600000113.1H125 D128G123-H125 PolarHBondContact O-N 3.5Å; G123-D128 PolarHBondContact N-OD2 3.37Å
124L75.1Confident83.7Confident115 Ų11555.9 Ų55.960%0.60231%0.314SS*.  trans-90.996.8169-62.6177.4000108.3T122 D126 V127 D128T122-L124 VanDerWaalsContact C-N 3.32Å; T122-L124 PolarHBondContact OG1-N 3.3Å; L124-D126 VanDerWaalsContact C-N 3.28Å; L124-D126 PolarHBondContact O-N 3.17Å; L124-D126 VanDerWaalsContact O-N 3.17Å; L124-V127 HydrophobicContact CB-CB 4.22Å; L124-V127 HydrophobicContact CB-CG2 4.03Å; L124-V127 HydrophobicContact CD1-CG2 4.4Å; L124-V127 PolarHBondContact O-N 3.16Å; L124-D128 PolarHBondContact O-N 2.73Å
125H80.1Confident83.3Confident125 Ų12557.9 Ų57.958%0.57932%0.324SS*.Hα-helixtrans-53-41.3-170.4-67.2-44.8000114.2G123 V127 D128 E129G123-H125 PolarHBondContact O-N 3.5Å; H125-V127 VanDerWaalsContact C-N 3.34Å; H125-V127 PolarHBondContact O-N 3.18Å; H125-D128 PolarHBondContact O-N 2.93Å; H125-E129 VanDerWaalsContact O-CB 3.3Å; H125-E129 WeakPolarHBondContact O-CB 3.35Å; H125-E129 PolarHBondContact O-N 2.9Å
126D72.2Confident83Confident130 Ų13057.9 Ų57.970%0.69532%0.324SS*.Hα-helixtrans-63.7-40.5-179.9-56.5-17.1000111.8L124 Y130L124-D126 VanDerWaalsContact C-N 3.28Å; L124-D126 PolarHBondContact O-N 3.17Å; L124-D126 VanDerWaalsContact O-N 3.17Å; D126-Y130 WeakPolarHBondContact O-CB 3.31Å; D126-Y130 PolarHBondContact O-N 3.35Å; D126-Y130 VanDerWaalsContact O-N 3.09Å
127V75.3Confident82.7Confident66 Ų6657.3 Ų57.340%0.432%0.321SS..Hα-helixtrans-72.6-42.5178.6-174.10000110.3L124 H125 E129 Y130 M131L124-V127 HydrophobicContact CB-CB 4.22Å; L124-V127 HydrophobicContact CB-CG2 4.03Å; L124-V127 HydrophobicContact CD1-CG2 4.4Å; L124-V127 PolarHBondContact O-N 3.16Å; H125-V127 VanDerWaalsContact C-N 3.34Å; H125-V127 PolarHBondContact O-N 3.18Å; V127-E129 VanDerWaalsContact C-N 3.35Å; V127-E129 PolarHBondContact O-N 3.38Å; V127-Y130 PolarHBondContact O-N 3.38Å; V127-M131 HydrophobicContact CG1-CE 4.06Å; V127-M131 HydrophobicContact CG1-CG 4.43Å; V127-M131 HydrophobicContact CG1-SD 4.35Å; V127-M131 WeakPolarHBondContact O-CG 3.42Å; V127-M131 PolarHBondContact O-N 3.48Å
128D82.7Confident82.6Confident2 Ų257.2 Ų57.21%0.01132%0.32CS..Hα-helixtrans-64.1-40179.1-65.8-26000111.5V121 T122 G123 L124 H125 Q132 F158V121-D128 WeakPolarHBondContact CG1-OD2 3.43Å; T122-D128 WeakPolarHBondContact CB-OD1 3.19Å; T122-D128 PolarHBondContact N-OD1 3.27Å; T122-D128 PolarHBondContact N-OD2 3.3Å; T122-D128 PolarHBondContact OG1-OD1 2.9Å; T122-D128 PolarHBondContact OG1-OD2 3.17Å; G123-D128 PolarHBondContact N-OD2 3.37Å; L124-D128 PolarHBondContact O-N 2.73Å; H125-D128 PolarHBondContact O-N 2.93Å; D128-Q132 WeakPolarHBondContact O-CB 3.34Å; D128-Q132 PolarHBondContact O-N 3.02Å; D128-F158 HydrophobicContact CB-CD2 4.47Å; D128-F158 HydrophobicContact CB-CE2 4.24Å
129E83.2Confident82.9Confident20 Ų2055 Ų559%0.09330%0.301CS..Hα-helixtrans-62.8-47.7173.4-177.7175.1-172.400111.3H125 V127 M131 Q132 A133 G160 R161 D162H125-E129 VanDerWaalsContact O-CB 3.3Å; H125-E129 WeakPolarHBondContact O-CB 3.35Å; H125-E129 PolarHBondContact O-N 2.9Å; V127-E129 VanDerWaalsContact C-N 3.35Å; V127-E129 PolarHBondContact O-N 3.38Å; E129-M131 PolarHBondContact O-N 2.79Å; E129-Q132 PolarHBondContact O-N 3.24Å; E129-A133 WeakPolarHBondContact O-CB 3.42Å; E129-A133 PolarHBondContact O-N 2.98Å; E129-G160 VanDerWaalsContact CD-CA 3.4Å; E129-G160 WeakPolarHBondContact OE1-CA 3.26Å; E129-G160 PolarHBondContact OE1-N 3.43Å; E129-G160 VanDerWaalsContact OE2-CA 3.26Å; E129-G160 WeakPolarHBondContact OE2-CA 3.18Å; E129-R161 PolarHBondContact OE1-N 3.21Å; E129-R161 PolarHBondContact OE2-N 3.11Å; E129-R161 VanDerWaalsContact OE2-N 3.14Å; E129-D162 PolarHBondContact OE1-N 3.29Å; E129-D162 VanDerWaalsContact OE1-N 3.09Å
130Y80.9Confident83.6Confident129 Ų12953.5 Ų53.551%0.50629%0.292SS..Hα-helixtrans-59.6-47.2177.3178.2-97000112.1D126 V127 Q132 A133 Q134D126-Y130 WeakPolarHBondContact O-CB 3.31Å; D126-Y130 PolarHBondContact O-N 3.35Å; D126-Y130 VanDerWaalsContact O-N 3.09Å; V127-Y130 PolarHBondContact O-N 3.38Å; Y130-Q132 VanDerWaalsContact C-N 3.34Å; Y130-Q132 PolarHBondContact O-N 3.2Å; Y130-A133 WeakPolarHBondContact O-CB 3.28Å; Y130-A133 PolarHBondContact O-N 3.09Å; Y130-Q134 HydrophobicContact CD1-CG 4.18Å; Y130-Q134 HydrophobicContact CE1-CG 3.73Å; Y130-Q134 HydrophobicContact CE2-CG 4.33Å; Y130-Q134 WeakPolarHBondContact O-CG 3.43Å; Y130-Q134 PolarHBondContact O-N 3.39Å
131M84.3Confident84.1Confident60 Ų6047.4 Ų47.430%0.29626%0.259SS..Hα-helixtrans-64-39.1178.8-69.4-171.9-61.500112.1P119 T122 V127 E129 A133 Q134 L135P119-M131 HydrophobicContact CB-CB 4.09Å; P119-M131 HydrophobicContact CB-CE 4.39Å; P119-M131 HydrophobicContact CG-CB 3.71Å; P119-M131 HydrophobicContact CG-CE 4.42Å; T122-M131 HydrophobicContact CG2-CE 3.92Å; V127-M131 HydrophobicContact CG1-CE 4.06Å; V127-M131 HydrophobicContact CG1-CG 4.43Å; V127-M131 HydrophobicContact CG1-SD 4.35Å; V127-M131 WeakPolarHBondContact O-CG 3.42Å; V127-M131 PolarHBondContact O-N 3.48Å; E129-M131 PolarHBondContact O-N 2.79Å; M131-A133 VanDerWaalsContact C-N 3.33Å; M131-Q134 PolarHBondContact O-N 3.02Å; M131-L135 PolarHBondContact O-N 3.1Å
132Q90.5Very high85.1Confident5 Ų542.7 Ų42.72%0.02323%0.231CC..Hα-helixtrans-63.2-40.5174.4-17566.229.900111.5G117 A118 D128 E129 Y130 L135 L136 K156 F158G117-Q132 PolarHBondContact O-NE2 3.45Å; A118-Q132 VanDerWaalsContact CA-OE1 3.26Å; D128-Q132 WeakPolarHBondContact O-CB 3.34Å; D128-Q132 PolarHBondContact O-N 3.02Å; E129-Q132 PolarHBondContact O-N 3.24Å; Y130-Q132 VanDerWaalsContact C-N 3.34Å; Y130-Q132 PolarHBondContact O-N 3.2Å; Q132-L135 PolarHBondContact O-N 3.05Å; Q132-L136 PolarHBondContact O-N 2.72Å; Q132-K156 PolarHBondContact NE2-O 2.81Å; Q132-F158 HydrophobicContact CB-CB 4.34Å; Q132-F158 HydrophobicContact CB-CD2 3.7Å; Q132-F158 HydrophobicContact CB-CE2 4.1Å; Q132-F158 HydrophobicContact CB-CG 3.99Å; Q132-F158 HydrophobicContact CG-CB 4.22Å; Q132-F158 HydrophobicContact CG-CD1 4.08Å; Q132-F158 HydrophobicContact CG-CD2 4.05Å; Q132-F158 HydrophobicContact CG-CE1 4.47Å; Q132-F158 HydrophobicContact CG-CE2 4.43Å; Q132-F158 HydrophobicContact CG-CG 3.85Å
133A87Confident86.1Confident15 Ų1538.8 Ų38.812%0.12421%0.207CC..Hα-helixtrans-61.9-44.7175.900000111.8E129 Y130 M131 L135 L136 L137 L166E129-A133 WeakPolarHBondContact O-CB 3.42Å; E129-A133 PolarHBondContact O-N 2.98Å; Y130-A133 WeakPolarHBondContact O-CB 3.28Å; Y130-A133 PolarHBondContact O-N 3.09Å; M131-A133 VanDerWaalsContact C-N 3.33Å; A133-L135 VanDerWaalsContact C-N 3.34Å; A133-L135 PolarHBondContact O-N 3.22Å; A133-L136 WeakPolarHBondContact O-CB 3.43Å; A133-L136 PolarHBondContact O-N 3.25Å; A133-L137 WeakPolarHBondContact O-CG 3.4Å; A133-L137 PolarHBondContact O-N 3.13Å; A133-L166 HydrophobicContact CB-CD1 3.88Å; A133-L166 HydrophobicContact CB-CD2 4Å; A133-L166 HydrophobicContact CB-CG 4.37Å
134Q85.3Confident87Confident35 Ų3536.9 Ų36.916%0.16419%0.186CC..Hα-helixtrans-62.6-40.3176.7-66.5-55.2-47.900112.2Y130 M131 L136 L137 A138 L213Y130-Q134 HydrophobicContact CD1-CG 4.18Å; Y130-Q134 HydrophobicContact CE1-CG 3.73Å; Y130-Q134 HydrophobicContact CE2-CG 4.33Å; Y130-Q134 WeakPolarHBondContact O-CG 3.43Å; Y130-Q134 PolarHBondContact O-N 3.39Å; M131-Q134 PolarHBondContact O-N 3.02Å; Q134-L136 VanDerWaalsContact C-N 3.35Å; Q134-L137 PolarHBondContact O-N 2.92Å; Q134-A138 PolarHBondContact O-N 3.47Å; Q134-L213 HydrophobicContact CB-CD2 4.33Å; Q134-L213 VanDerWaalsContact OE1-CD1 3.29Å; Q134-L213 VanDerWaalsContact OE1-CD2 3.27Å
135L91.2Very high87.9Confident41 Ų4133.5 Ų33.522%0.21517%0.166CC..Hα-helixtrans-64.1-40.3175.2-175.261.4000112I92 M131 Q132 A133 A138 A139I92-L135 HydrophobicContact CD1-CD1 4.06Å; M131-L135 PolarHBondContact O-N 3.1Å; Q132-L135 PolarHBondContact O-N 3.05Å; A133-L135 VanDerWaalsContact C-N 3.34Å; A133-L135 PolarHBondContact O-N 3.22Å; L135-A138 PolarHBondContact O-N 2.94Å; L135-A139 WeakPolarHBondContact O-CB 3.39Å; L135-A139 PolarHBondContact O-N 2.86Å
136L92.8Very high88.7Confident5 Ų527.6 Ų27.63%0.02614%0.14CC..Hα-helixtrans-61.7-43.9174.7177.770.9000111.7Q132 A133 Q134 A139 L140 F153 A155 I157 L166 L170Q132-L136 PolarHBondContact O-N 2.72Å; A133-L136 WeakPolarHBondContact O-CB 3.43Å; A133-L136 PolarHBondContact O-N 3.25Å; Q134-L136 VanDerWaalsContact C-N 3.35Å; L136-A139 PolarHBondContact O-N 2.99Å; L136-L140 WeakPolarHBondContact O-CB 3.38Å; L136-L140 PolarHBondContact O-N 3.47Å; L136-F153 HydrophobicContact CD1-CE1 4.02Å; L136-F153 HydrophobicContact CD1-CZ 4.17Å; L136-A155 HydrophobicContact CD1-CB 3.24Å; L136-I157 HydrophobicContact CD1-CG2 4.24Å; L136-I157 HydrophobicContact CD2-CG2 3.73Å; L136-L166 HydrophobicContact CD2-CB 4.26Å; L136-L166 HydrophobicContact CD2-CD1 3.91Å; L136-L166 HydrophobicContact CD2-CD2 3.96Å; L136-L166 HydrophobicContact CD2-CG 4.27Å; L136-L170 HydrophobicContact CD2-CD1 4.49Å
137L89.1Confident89.9Confident11 Ų1121.8 Ų21.86%0.05811%0.108CC..Hα-helixtrans-65.7-41.2179.3-69170.7000111.9A133 Q134 A139 L140 N141 L166 L213A133-L137 WeakPolarHBondContact O-CG 3.4Å; A133-L137 PolarHBondContact O-N 3.13Å; Q134-L137 PolarHBondContact O-N 2.92Å; L137-A139 VanDerWaalsContact C-N 3.35Å; L137-A139 PolarHBondContact O-N 2.85Å; L137-L140 PolarHBondContact O-N 2.71Å; L137-N141 WeakPolarHBondContact O-CB 3.47Å; L137-N141 PolarHBondContact O-N 3.3Å; L137-L166 HydrophobicContact CD2-CD2 4.43Å; L137-L166 HydrophobicContact CG-CD2 4.41Å; L137-L213 WeakPolarHBondContact CD1-O 3.25Å
138A89.8Confident91Very high5 Ų521.9 Ų21.94%0.04110%0.103CC..Hα-helixtrans-61.1-43.6172.100000111.8I92 T93 Q134 L135 N141 I142I92-A138 HydrophobicContact CD1-CB 4.05Å; I92-A138 HydrophobicContact CG1-CB 4.34Å; T93-A138 HydrophobicContact CG2-CB 4.04Å; Q134-A138 PolarHBondContact O-N 3.47Å; L135-A138 PolarHBondContact O-N 2.94Å; A138-N141 PolarHBondContact O-N 3.28Å; A138-I142 PolarHBondContact O-N 3.11Å; A138-I142 VanDerWaalsContact O-N 3.13Å
139A96.2Very high91.6Very high0 Ų026.7 Ų26.70%014%0.135CC..Hα-helixtrans-64.6-39.4176.600000112.4L48 I92 C115 L135 L136 L137 I142 A143 F153L48-A139 HydrophobicContact CD1-CB 3.98Å; I92-A139 HydrophobicContact CD1-CB 4.24Å; C115-A139 HydrophobicContact CB-CB 4.29Å; L135-A139 WeakPolarHBondContact O-CB 3.39Å; L135-A139 PolarHBondContact O-N 2.86Å; L136-A139 PolarHBondContact O-N 2.99Å; L137-A139 VanDerWaalsContact C-N 3.35Å; L137-A139 PolarHBondContact O-N 2.85Å; A139-I142 VanDerWaalsContact O-CG2 3.25Å; A139-I142 WeakPolarHBondContact O-CG2 3.31Å; A139-A143 VanDerWaalsContact O-CB 3.27Å; A139-A143 WeakPolarHBondContact O-CB 3.4Å; A139-A143 PolarHBondContact O-N 2.88Å; A139-F153 HydrophobicContact CB-CE2 4.35Å; A139-F153 HydrophobicContact CB-CZ 4.1Å
140L94.6Very high92.3Very high2 Ų228 Ų281%0.0115%0.154CC..Hα-helixtrans-63.2-45.5173.5176.361.7000110.8L136 L137 I142 A143 T144 F153 L170 F173 F174 L214L136-L140 WeakPolarHBondContact O-CB 3.38Å; L136-L140 PolarHBondContact O-N 3.47Å; L137-L140 PolarHBondContact O-N 2.71Å; L140-I142 PolarHBondContact O-N 3.22Å; L140-A143 CarbonylContact O-C 3.6Å; L140-A143 WeakPolarHBondContact O-CA 3.41Å; L140-A143 WeakPolarHBondContact O-CB 3.38Å; L140-A143 PolarHBondContact O-N 2.93Å; L140-A143 VanDerWaalsContact O-N 3.08Å; L140-T144 VanDerWaalsContact O-CG2 3.31Å; L140-T144 WeakPolarHBondContact O-CG2 3.37Å; L140-T144 PolarHBondContact O-N 2.9Å; L140-F153 HydrophobicContact CB-CE1 4.41Å; L140-F153 HydrophobicContact CB-CZ 4.47Å; L140-F153 HydrophobicContact CD1-CD1 4.44Å; L140-F153 HydrophobicContact CD1-CE1 4.39Å; L140-L170 HydrophobicContact CD1-CD2 4.05Å; L140-L170 HydrophobicContact CD2-CD2 3.92Å; L140-L170 HydrophobicContact CG-CD2 4.46Å; L140-F173 HydrophobicContact CD2-CD2 4.27Å; L140-F174 HydrophobicContact CD1-CE2 3.7Å; L140-F174 HydrophobicContact CD1-CZ 4.33Å; L140-L214 HydrophobicContact CD2-CD1 3.86Å; L140-L214 HydrophobicContact CG-CD1 4.2Å
141N90.1Very high93.1Very high1 Ų122 Ų221%0.00513%0.131CC..Hα-helixtrans-60.8-49.2-178.1-167.7-10.7000111.5L137 A138 A143 T144 H145 D208 L209 K211 P212 L214L137-N141 WeakPolarHBondContact O-CB 3.47Å; L137-N141 PolarHBondContact O-N 3.3Å; A138-N141 PolarHBondContact O-N 3.28Å; N141-A143 VanDerWaalsContact C-N 3.29Å; N141-A143 PolarHBondContact O-N 2.85Å; N141-T144 PolarHBondContact O-N 3.33Å; N141-T144 VanDerWaalsContact O-N 3.15Å; N141-T144 PolarHBondContact O-OG1 2.81Å; N141-H145 PolarHBondContact O-ND1 2.67Å; N141-H145 PolarHBondContact OD1-CE1 2.69Å; N141-D208 PolarHBondContact ND2-O 2.7Å; N141-D208 PolarHBondContact OD1-O 2.77Å; N141-L209 HydrophobicContact CB-CD2 4.27Å; N141-K211 PolarHBondContact ND2-O 2.6Å; N141-P212 WeakPolarHBondContact ND2-CA 3.44Å; N141-P212 PolarHBondContact ND2-O 3.01Å; N141-L214 HydrophobicContact CB-CG 4.42Å
142I95.4Very high93.8Very high0 Ų020.3 Ų20.30%013%0.125CC..Hα-helixtrans-63.9-35.3174.1-168.7166.6000111.9L48 I92 T97 A98 I101 A138 A139 L140 T144 H145 V146L48-I142 HydrophobicContact CD1-CG2 3.53Å; L48-I142 HydrophobicContact CD2-CG2 4.14Å; I92-I142 HydrophobicContact CB-CD1 4.34Å; I92-I142 HydrophobicContact CB-CG2 4.27Å; T97-I142 HydrophobicContact CG2-CD1 4.08Å; A98-I142 HydrophobicContact CB-CD1 4.19Å; A98-I142 HydrophobicContact CB-CG1 4.03Å; I101-I142 HydrophobicContact CD1-CD1 3.77Å; I101-I142 HydrophobicContact CD1-CG1 4.41Å; A138-I142 PolarHBondContact O-N 3.11Å; A138-I142 VanDerWaalsContact O-N 3.13Å; A139-I142 VanDerWaalsContact O-CG2 3.25Å; A139-I142 WeakPolarHBondContact O-CG2 3.31Å; L140-I142 PolarHBondContact O-N 3.22Å; I142-T144 VanDerWaalsContact C-N 3.27Å; I142-T144 PolarHBondContact O-N 2.95Å; I142-H145 WeakPolarHBondContact O-CB 3.18Å; I142-H145 PolarHBondContact O-N 3.26Å; I142-V146 PolarHBondContact O-N 3.42Å
143A97.1Very high94.2Very high1 Ų120 Ų201%0.00812%0.123CC..Hα-helixtrans-58.6-39.2174.600000111.5V113 A139 L140 N141 H145 V146 L147 F153V113-A143 HydrophobicContact CB-CB 4.36Å; V113-A143 HydrophobicContact CG1-CB 4.08Å; V113-A143 HydrophobicContact CG2-CB 4.36Å; A139-A143 VanDerWaalsContact O-CB 3.27Å; A139-A143 WeakPolarHBondContact O-CB 3.4Å; A139-A143 PolarHBondContact O-N 2.88Å; L140-A143 CarbonylContact O-C 3.6Å; L140-A143 WeakPolarHBondContact O-CA 3.41Å; L140-A143 WeakPolarHBondContact O-CB 3.38Å; L140-A143 PolarHBondContact O-N 2.93Å; L140-A143 VanDerWaalsContact O-N 3.08Å; N141-A143 VanDerWaalsContact C-N 3.29Å; N141-A143 PolarHBondContact O-N 2.85Å; A143-H145 PolarHBondContact O-N 2.89Å; A143-H145 VanDerWaalsContact O-N 3.14Å; A143-V146 PolarHBondContact O-N 3.33Å; A143-V146 VanDerWaalsContact O-N 3.13Å; A143-L147 WeakPolarHBondContact O-CB 3.32Å; A143-L147 PolarHBondContact O-N 3.5Å; A143-F153 HydrophobicContact CB-CD2 3.95Å; A143-F153 HydrophobicContact CB-CE2 4.13Å
144T93.7Very high94.7Very high7 Ų719.3 Ų19.34%0.04312%0.118CC..Hα-helixtrans-61.7-23177.570.70000114.1L140 N141 I142 F173 Y199 F205 P207L140-T144 VanDerWaalsContact O-CG2 3.31Å; L140-T144 WeakPolarHBondContact O-CG2 3.37Å; L140-T144 PolarHBondContact O-N 2.9Å; N141-T144 PolarHBondContact O-N 3.33Å; N141-T144 VanDerWaalsContact O-N 3.15Å; N141-T144 PolarHBondContact O-OG1 2.81Å; I142-T144 VanDerWaalsContact C-N 3.27Å; I142-T144 PolarHBondContact O-N 2.95Å; T144-F173 HydrophobicContact CG2-CD1 4.32Å; T144-F173 HydrophobicContact CG2-CE1 4.35Å; T144-Y199 VanDerWaalsContact CA-OH 3.25Å; T144-Y199 WeakPolarHBondContact CA-OH 3.38Å; T144-Y199 VanDerWaalsContact CB-OH 3.25Å; T144-Y199 WeakPolarHBondContact CB-OH 3.48Å; T144-Y199 HydrophobicContact CG2-CE2 4.3Å; T144-Y199 PolarHBondContact O-OH 3.21Å; T144-F205 HydrophobicContact CG2-CE1 4.16Å; T144-F205 HydrophobicContact CG2-CZ 4.43Å; T144-P207 WeakPolarHBondContact O-CG 3.5Å
145H94.2Very high95.3Very high43 Ų4317.7 Ų17.720%0.19911%0.11CC..Hα-helixtrans-85.5-29.9177.4-68.371.7000113.1A98 N141 I142 A143 P207 D208 L209A98-H145 HydrophobicContact CB-CB 4.33Å; N141-H145 PolarHBondContact O-ND1 2.67Å; N141-H145 PolarHBondContact OD1-CE1 2.69Å; I142-H145 WeakPolarHBondContact O-CB 3.18Å; I142-H145 PolarHBondContact O-N 3.26Å; A143-H145 PolarHBondContact O-N 2.89Å; A143-H145 VanDerWaalsContact O-N 3.14Å; H145-P207 VanDerWaalsContact CE1-C 3.48Å; H145-P207 WeakPolarHBondContact CE1-CB 3.45Å; H145-P207 WeakPolarHBondContact ND1-CB 2.97Å; H145-P207 VanDerWaalsContact NE2-CB 3.34Å; H145-P207 WeakPolarHBondContact NE2-CB 3.42Å; H145-P207 PolarHBondContact NE2-O 3.05Å; H145-D208 PolarHBondContact CE1-N 3.42Å; H145-L209 VanDerWaalsContact CE1-CG 3.43Å; H145-L209 WeakPolarHBondContact CE1-CG 3.38Å
146V97.1Very high95.5Very high2 Ų216.5 Ų16.51%0.01210%0.103CC..Hα-helixtrans-111-20.1-169.3-540000113.3V46 I101 I102 P109 A110 V113 I142 A143V46-V146 HydrophobicContact CG2-CG2 4.35Å; I101-V146 HydrophobicContact CB-CG1 4.28Å; I101-V146 HydrophobicContact CD1-CG1 4.32Å; I101-V146 HydrophobicContact CG2-CB 4.32Å; I101-V146 HydrophobicContact CG2-CG1 4.02Å; I102-V146 HydrophobicContact CD1-CG1 4.42Å; I102-V146 HydrophobicContact CG1-CG1 4.11Å; P109-V146 CarbonylContact C-O 3.56Å; P109-V146 VanDerWaalsContact CA-O 3.32Å; P109-V146 WeakPolarHBondContact CA-O 3.3Å; P109-V146 WeakPolarHBondContact CB-O 3.13Å; A110-V146 PolarHBondContact N-O 2.73Å; V113-V146 HydrophobicContact CG2-CG2 3.81Å; I142-V146 PolarHBondContact O-N 3.42Å; A143-V146 PolarHBondContact O-N 3.33Å; A143-V146 VanDerWaalsContact O-N 3.13Å
147L97.8Very high95.6Very high8 Ų816.3 Ų16.34%0.04210%0.102CC..EExtended strand (participates in β ladder)trans-85.1139.5-174.8-167.167.7000111.4V113 A143 C152 F153 F174 Y199V113-L147 HydrophobicContact CB-CD1 4.45Å; V113-L147 HydrophobicContact CG2-CB 4.34Å; V113-L147 HydrophobicContact CG2-CD1 3.82Å; A143-L147 WeakPolarHBondContact O-CB 3.32Å; A143-L147 PolarHBondContact O-N 3.5Å; L147-C152 WeakPolarHBondContact CD1-O 3.4Å; L147-F153 HydrophobicContact CD2-CB 4.35Å; L147-F174 HydrophobicContact CD2-CE1 3.79Å; L147-F174 HydrophobicContact CD2-CZ 4.02Å; L147-Y199 HydrophobicContact CB-CD1 4.27Å; L147-Y199 HydrophobicContact CD2-CD1 4.2Å; L147-Y199 HydrophobicContact CD2-CD2 4.15Å; L147-Y199 HydrophobicContact CD2-CG 3.75Å; L147-Y199 HydrophobicContact CG-CD1 4.24Å; L147-Y199 HydrophobicContact CG-CG 4.27Å
148K97.1Very high95.7Very high67 Ų6716.7 Ų16.729%0.29110%0.103SC..EExtended strand (participates in β ladder)trans-76.9152.8175.674.3178.6-173.4-176.40111.3P109 A110 D111 G150 G151 Y199P109-K148 HydrophobicContact CB-CB 3.77Å; P109-K148 HydrophobicContact CG-CB 3.6Å; A110-K148 WeakPolarHBondContact O-CG 3.28Å; A110-K148 PolarHBondContact O-N 3.41Å; D111-K148 VanDerWaalsContact OD1-CD 3.3Å; D111-K148 WeakPolarHBondContact OD1-CD 3.41Å; D111-K148 WeakPolarHBondContact OD1-CE 3.39Å; D111-K148 IonicContact OD1-NZ 2.68Å; D111-K148 PolarHBondContact OD1-NZ 3.25Å; K148-G150 PolarHBondContact O-N 3.49Å; K148-G151 WeakPolarHBondContact O-CA 3.36Å; K148-G151 PolarHBondContact O-N 2.98Å; K148-Y199 WeakPolarHBondContact O-CD1 3.45Å
149P97.1Very high95.4Very high104 Ų10423.1 Ų23.168%0.67513%0.127SC*.EExtended strand (participates in β ladder)trans-52.3134.8164.2-25.835.3000111.4G151 Y199P149-G151 VanDerWaalsContact C-N 3.26Å; P149-G151 PolarHBondContact O-N 3.31Å; P149-Y199 CarbonylContact C-O 3.59Å; P149-Y199 WeakPolarHBondContact CA-O 3.3Å
150G97.5Very high94.5Very high48 Ų4824.4 Ų24.450%0.49514%0.14SC..EExtended strand (participates in β ladder)trans80-3.4-172.300000115.1K148 Y199K148-G150 PolarHBondContact O-N 3.49Å; G150-Y199 PolarHBondContact N-O 2.96Å
151G98.1Very high93.4Very high2 Ų234.4 Ų34.42%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-68.7170.2-179.600000114.1D111 K148 P149 G198 Y199D111-G151 WeakPolarHBondContact O-CA 3.49Å; K148-G151 WeakPolarHBondContact O-CA 3.36Å; K148-G151 PolarHBondContact O-N 2.98Å; P149-G151 VanDerWaalsContact C-N 3.26Å; P149-G151 PolarHBondContact O-N 3.31Å; G151-G198 PolarHBondContact O-N 3.03Å; G151-Y199 PolarHBondContact O-N 2.96Å
152C98.5Very high92.3Very high24 Ų2438 Ų3816%0.16220%0.196CC..EExtended strand (participates in β ladder)trans-111.3143.8179.3-66.40000112.1D111 L112 V113 L147 C196D111-C152 PolarHBondContact O-N 3.13Å; L112-C152 WeakPolarHBondContact CA-O 3.24Å; L112-C152 HydrophobicContact CD1-CB 3.73Å; V113-C152 PolarHBondContact N-O 2.9Å; L147-C152 WeakPolarHBondContact CD1-O 3.4Å; C152-C196 CarbonylContact C-O 3.55Å; C152-C196 VanDerWaalsContact CA-O 3.3Å; C152-C196 WeakPolarHBondContact CA-O 3.13Å
153F98.6Very high91.5Very high0 Ų038.6 Ų38.60%020%0.2CC..EExtended strand (participates in β ladder)trans-127.7125.1173174.5-115.6000110V113 L136 A139 L140 A143 L147 A155 L170 F174 C196V113-F153 HydrophobicContact CB-CD2 3.97Å; V113-F153 HydrophobicContact CG1-CD2 3.8Å; V113-F153 HydrophobicContact CG1-CE2 4.02Å; V113-F153 CarbonylContact O-C 3.53Å; V113-F153 VanDerWaalsContact O-CA 3.3Å; V113-F153 WeakPolarHBondContact O-CA 3.19Å; L136-F153 HydrophobicContact CD1-CE1 4.02Å; L136-F153 HydrophobicContact CD1-CZ 4.17Å; A139-F153 HydrophobicContact CB-CE2 4.35Å; A139-F153 HydrophobicContact CB-CZ 4.1Å; L140-F153 HydrophobicContact CB-CE1 4.41Å; L140-F153 HydrophobicContact CB-CZ 4.47Å; L140-F153 HydrophobicContact CD1-CD1 4.44Å; L140-F153 HydrophobicContact CD1-CE1 4.39Å; A143-F153 HydrophobicContact CB-CD2 3.95Å; A143-F153 HydrophobicContact CB-CE2 4.13Å; L147-F153 HydrophobicContact CD2-CB 4.35Å; F153-A155 HydrophobicContact CE1-CB 3.71Å; F153-A155 HydrophobicContact CE2-CB 4.12Å; F153-A155 HydrophobicContact CZ-CB 3.48Å; F153-A155 VanDerWaalsContact CZ-CB 3.48Å; F153-L170 HydrophobicContact CD1-CD2 4.2Å; F153-L170 HydrophobicContact CE1-CD2 4.05Å; F153-F174 HydrophobicContact CB-CE1 3.71Å; F153-F174 HydrophobicContact CB-CE2 4.21Å; F153-F174 HydrophobicContact CB-CZ 3.37Å; F153-F174 HydrophobicContact CD1-CE2 4.27Å; F153-F174 HydrophobicContact CD1-CZ 4.22Å; F153-F174 HydrophobicContact CG-CZ 4.1Å; F153-C196 HydrophobicContact CB-CB 4.22Å; F153-C196 HydrophobicContact CD1-CB 4.48Å; F153-C196 PolarHBondContact N-O 2.92Å; F153-C196 WeakPolarHBondContact O-CA 3.37Å; F153-C196 WeakPolarHBondContact O-CB 3.26Å; F153-C196 PolarHBondContact O-N 3.3Å
154V98.5Very high90.6Very high0 Ų041.2 Ų41.20%022%0.216CC..EExtended strand (participates in β ladder)trans-124.7121.1179.3-178.50000109.7L32 L38 W55 L112 V113 V114 C115 A194 V195L32-V154 HydrophobicContact CD1-CG1 3.94Å; L38-V154 HydrophobicContact CD1-CG2 3.9Å; L38-V154 HydrophobicContact CD2-CG2 3.9Å; W55-V154 HydrophobicContact CH2-CG1 4.43Å; L112-V154 HydrophobicContact CD1-CG2 4.34Å; V113-V154 PolarHBondContact O-N 3.46Å; V114-V154 CarbonylContact C-O 3.46Å; V114-V154 WeakPolarHBondContact CA-O 3.35Å; V114-V154 HydrophobicContact CG1-CB 4.19Å; C115-V154 PolarHBondContact N-O 3.38Å; V154-A194 VanDerWaalsContact CA-O 3.32Å; V154-A194 WeakPolarHBondContact CA-O 3.36Å; V154-V195 HydrophobicContact CG1-CG2 4.25Å; V154-V195 HydrophobicContact CG2-CG1 4.27Å; V154-V195 HydrophobicContact CG2-CG2 4.5Å
155A97.5Very high89.8Confident1 Ų142.7 Ų42.71%0.00822%0.223CC..EExtended strand (participates in β ladder)trans-140.6146.5-176.600000113.1C115 L136 F153 F193 A194C115-A155 HydrophobicContact CB-CB 4.06Å; C115-A155 CarbonylContact O-C 3.33Å; C115-A155 VanDerWaalsContact O-CA 3.31Å; C115-A155 WeakPolarHBondContact O-CA 3.47Å; L136-A155 HydrophobicContact CD1-CB 3.24Å; F153-A155 HydrophobicContact CE1-CB 3.71Å; F153-A155 HydrophobicContact CE2-CB 4.12Å; F153-A155 HydrophobicContact CZ-CB 3.48Å; F153-A155 VanDerWaalsContact CZ-CB 3.48Å; A155-F193 CarbonylContact O-C 3.53Å; A155-F193 VanDerWaalsContact O-CA 3.28Å; A155-F193 WeakPolarHBondContact O-CA 3.42Å; A155-A194 PolarHBondContact N-O 3.48Å; A155-A194 PolarHBondContact O-N 3.07Å
156K95.8Very high89.2Confident16 Ų1641.3 Ų41.37%0.0722%0.217CC..EExtended strand (participates in β ladder)trans-67137.8173-178.1-178-62.6173.90110.9C115 D116 A118 Q132 F158 E191 F193C115-K156 PolarHBondContact O-N 3.07Å; D116-K156 VanDerWaalsContact O-CE 3.23Å; D116-K156 WeakPolarHBondContact O-CE 3.44Å; D116-K156 PolarHBondContact O-NZ 2.97Å; D116-K156 WeakPolarHBondContact OD1-CE 3.42Å; D116-K156 IonicContact OD1-NZ 2.6Å; D116-K156 PolarHBondContact OD1-NZ 2.98Å; D116-K156 IonicContact OD2-NZ 3.75Å; A118-K156 HydrophobicContact CB-CD 4.02Å; Q132-K156 PolarHBondContact NE2-O 2.81Å; K156-F158 HydrophobicContact CD-CE1 4.38Å; K156-E191 HydrophobicContact CD-CG 3.96Å; K156-E191 WeakPolarHBondContact CE-OE2 3.39Å; K156-E191 HydrophobicContact CG-CG 3.86Å; K156-E191 IonicContact NZ-OE2 3.01Å; K156-E191 PolarHBondContact NZ-OE2 2.98Å; K156-E191 VanDerWaalsContact NZ-OE2 3.17Å; K156-F193 HydrophobicContact CB-CD1 4.22Å; K156-F193 HydrophobicContact CB-CE1 3.86Å; K156-F193 HydrophobicContact CG-CE1 4.37Å
157I93.5Very high88.7Confident1 Ų141.8 Ų41.81%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-132.1155.2173.866.2177.9000110L136 V163 Y167 E191 A192 A194L136-I157 HydrophobicContact CD1-CG2 4.24Å; L136-I157 HydrophobicContact CD2-CG2 3.73Å; I157-V163 HydrophobicContact CD1-CG2 3.96Å; I157-Y167 HydrophobicContact CD1-CE1 3.55Å; I157-Y167 VanDerWaalsContact CD1-OH 3.22Å; I157-Y167 WeakPolarHBondContact CD1-OH 3.23Å; I157-E191 WeakPolarHBondContact O-CA 3.36Å; I157-A192 HydrophobicContact CD1-CB 4.29Å; I157-A192 HydrophobicContact CG1-CB 3.95Å; I157-A192 PolarHBondContact N-O 2.99Å; I157-A192 PolarHBondContact O-N 2.88Å; I157-A192 VanDerWaalsContact O-O 3.09Å; I157-A194 HydrophobicContact CD1-CB 4.41Å; I157-A194 HydrophobicContact CG2-CB 3.96Å
158F90.6Very high88Confident19 Ų1943 Ų438%0.08323%0.228CC..EExtended strand (participates in β ladder)trans-99.3119.3163.9-72.8-9000108.3V121 D128 Q132 K156 G160 I190 E191V121-F158 HydrophobicContact CG2-CZ 4.46Å; D128-F158 HydrophobicContact CB-CD2 4.47Å; D128-F158 HydrophobicContact CB-CE2 4.24Å; Q132-F158 HydrophobicContact CB-CB 4.34Å; Q132-F158 HydrophobicContact CB-CD2 3.7Å; Q132-F158 HydrophobicContact CB-CE2 4.1Å; Q132-F158 HydrophobicContact CB-CG 3.99Å; Q132-F158 HydrophobicContact CG-CB 4.22Å; Q132-F158 HydrophobicContact CG-CD1 4.08Å; Q132-F158 HydrophobicContact CG-CD2 4.05Å; Q132-F158 HydrophobicContact CG-CE1 4.47Å; Q132-F158 HydrophobicContact CG-CE2 4.43Å; Q132-F158 HydrophobicContact CG-CG 3.85Å; K156-F158 HydrophobicContact CD-CE1 4.38Å; F158-G160 PolarHBondContact O-N 3.04Å; F158-I190 HydrophobicContact CB-CD1 3.86Å; F158-I190 HydrophobicContact CB-CG1 4.08Å; F158-I190 HydrophobicContact CD1-CG1 4.28Å; F158-I190 HydrophobicContact CD2-CD1 4.24Å; F158-I190 HydrophobicContact CG-CD1 4.05Å; F158-I190 HydrophobicContact CG-CG1 4.07Å; F158-E191 HydrophobicContact CE1-CB 4.46Å
159R84.3Confident87.4Confident140 Ų14042.3 Ų42.353%0.52823%0.226SC..  trans-84.668.7-178.7-167.2-170.170.2138.40.4109.7V163 I190R159-V163 HydrophobicContact CG-CG1 4.1Å; R159-V163 HydrophobicContact CG-CG2 4.47Å; R159-I190 PolarHBondContact N-O 3.37Å
160G76.6Confident87.2Confident27 Ų2737.4 Ų37.428%0.27819%0.194SC..SBendtrans-95.5-146.3172.200000111.7E129 F158E129-G160 VanDerWaalsContact CD-CA 3.4Å; E129-G160 WeakPolarHBondContact OE1-CA 3.26Å; E129-G160 PolarHBondContact OE1-N 3.43Å; E129-G160 VanDerWaalsContact OE2-CA 3.26Å; E129-G160 WeakPolarHBondContact OE2-CA 3.18Å; F158-G160 PolarHBondContact O-N 3.04Å
161R71.4Confident86.9Confident212 Ų21239.8 Ų39.880%0.819%0.188SC*.SBendtrans-71.4-38.5-168.9-175.1179.2-74.6171.6-0.2112.3E129E129-R161 PolarHBondContact OE1-N 3.21Å; E129-R161 PolarHBondContact OE2-N 3.11Å; E129-R161 VanDerWaalsContact OE2-N 3.14Å
162D67.6Low86.4Confident75 Ų7543.5 Ų43.540%0.40121%0.21SC..SBendtrans-106.314.1-164.8-60.5-38000113E129 T164 L165E129-D162 PolarHBondContact OE1-N 3.29Å; E129-D162 VanDerWaalsContact OE1-N 3.09Å; D162-T164 PolarHBondContact O-N 3.4Å; D162-L165 WeakPolarHBondContact O-CB 3.47Å; D162-L165 PolarHBondContact O-N 2.93Å; D162-L165 VanDerWaalsContact O-N 3.1Å
163V78.6Confident86.2Confident13 Ų1343.1 Ų43.18%0.07921%0.206CC..Hα-helixtrans-57.9-25-178.776.40000113.9I157 R159 L165 L166 Y167I157-V163 HydrophobicContact CD1-CG2 3.96Å; R159-V163 HydrophobicContact CG-CG1 4.1Å; R159-V163 HydrophobicContact CG-CG2 4.47Å; V163-L165 VanDerWaalsContact C-N 3.31Å; V163-L165 PolarHBondContact O-N 3.12Å; V163-L166 WeakPolarHBondContact O-CB 3.4Å; V163-L166 PolarHBondContact O-N 2.84Å; V163-Y167 HydrophobicContact CB-CE2 4.37Å; V163-Y167 HydrophobicContact CG1-CE2 3.85Å; V163-Y167 HydrophobicContact CG2-CE1 3.9Å; V163-Y167 HydrophobicContact CG2-CE2 3.84Å; V163-Y167 VanDerWaalsContact CG2-CZ 3.43Å; V163-Y167 VanDerWaalsContact CG2-OH 3.32Å; V163-Y167 WeakPolarHBondContact CG2-OH 3.42Å; V163-Y167 WeakPolarHBondContact O-CD2 2.76Å; V163-Y167 PolarHBondContact O-N 3.34Å; V163-Y167 VanDerWaalsContact O-N 3.16Å
164T77.9Confident86.1Confident56 Ų5643.4 Ų43.434%0.34421%0.207SC..Hα-helixtrans-64.9-35.3178.9-48.90000112.1D162 Y167 S168D162-T164 PolarHBondContact O-N 3.4Å; T164-Y167 WeakPolarHBondContact O-CB 3.36Å; T164-Y167 PolarHBondContact O-N 2.95Å; T164-S168 PolarHBondContact O-N 3.36Å; T164-S168 PolarHBondContact O-OG 3.08Å
165L77.4Confident85.9Confident38 Ų3847.9 Ų47.920%0.19924%0.239CC..Hα-helixtrans-62.7-45.5176.6176.258.3000110.9D162 V163 Y167 S168 Q169 F222D162-L165 WeakPolarHBondContact O-CB 3.47Å; D162-L165 PolarHBondContact O-N 2.93Å; D162-L165 VanDerWaalsContact O-N 3.1Å; V163-L165 VanDerWaalsContact C-N 3.31Å; V163-L165 PolarHBondContact O-N 3.12Å; L165-Y167 VanDerWaalsContact C-N 3.27Å; L165-Y167 PolarHBondContact O-N 2.84Å; L165-S168 PolarHBondContact O-N 2.81Å; L165-S168 VanDerWaalsContact O-N 3.16Å; L165-Q169 HydrophobicContact CD1-CG 4.43Å; L165-Q169 WeakPolarHBondContact O-CG 3.35Å; L165-Q169 PolarHBondContact O-N 3.43Å; L165-F222 HydrophobicContact CD1-CD1 3.86Å; L165-F222 HydrophobicContact CD1-CE1 3.36Å; L165-F222 HydrophobicContact CD1-CZ 3.8Å
166L82.1Confident85.8Confident14 Ų1449.8 Ų49.87%0.07325%0.252CS..Hα-helixtrans-58.6-41.6176.5-70176.1000111.5A133 L136 L137 V163 Q169 L170A133-L166 HydrophobicContact CB-CD1 3.88Å; A133-L166 HydrophobicContact CB-CD2 4Å; A133-L166 HydrophobicContact CB-CG 4.37Å; L136-L166 HydrophobicContact CD2-CB 4.26Å; L136-L166 HydrophobicContact CD2-CD1 3.91Å; L136-L166 HydrophobicContact CD2-CD2 3.96Å; L136-L166 HydrophobicContact CD2-CG 4.27Å; L137-L166 HydrophobicContact CD2-CD2 4.43Å; L137-L166 HydrophobicContact CG-CD2 4.41Å; V163-L166 WeakPolarHBondContact O-CB 3.4Å; V163-L166 PolarHBondContact O-N 2.84Å; L166-Q169 PolarHBondContact O-N 2.99Å; L166-L170 VanDerWaalsContact O-CG 3.27Å; L166-L170 WeakPolarHBondContact O-CG 3.37Å; L166-L170 PolarHBondContact O-N 3.23Å
167Y85.6Confident85.7Confident13 Ų1349.3 Ų49.35%0.05125%0.25CC..Hα-helixtrans-63.7-43.4175.9-64.4-27.5000113I157 V163 T164 L165 Q169 L170 R171 V177 C179 V233I157-Y167 HydrophobicContact CD1-CE1 3.55Å; I157-Y167 VanDerWaalsContact CD1-OH 3.22Å; I157-Y167 WeakPolarHBondContact CD1-OH 3.23Å; V163-Y167 HydrophobicContact CB-CE2 4.37Å; V163-Y167 HydrophobicContact CG1-CE2 3.85Å; V163-Y167 HydrophobicContact CG2-CE1 3.9Å; V163-Y167 HydrophobicContact CG2-CE2 3.84Å; V163-Y167 VanDerWaalsContact CG2-CZ 3.43Å; V163-Y167 VanDerWaalsContact CG2-OH 3.32Å; V163-Y167 WeakPolarHBondContact CG2-OH 3.42Å; V163-Y167 WeakPolarHBondContact O-CD2 2.76Å; V163-Y167 PolarHBondContact O-N 3.34Å; V163-Y167 VanDerWaalsContact O-N 3.16Å; T164-Y167 WeakPolarHBondContact O-CB 3.36Å; T164-Y167 PolarHBondContact O-N 2.95Å; L165-Y167 VanDerWaalsContact C-N 3.27Å; L165-Y167 PolarHBondContact O-N 2.84Å; Y167-Q169 VanDerWaalsContact C-N 3.32Å; Y167-Q169 PolarHBondContact O-N 3.2Å; Y167-L170 PolarHBondContact O-N 3.26Å; Y167-R171 WeakPolarHBondContact O-CB 3.25Å; Y167-R171 WeakPolarHBondContact O-CG 3.43Å; Y167-R171 PolarHBondContact O-N 3.36Å; Y167-V177 HydrophobicContact CD1-CG1 4.39Å; Y167-C179 HydrophobicContact CE1-CB 4.44Å; Y167-C179 WeakPolarHBondContact OH-CB 3.42Å; Y167-C179 PolarHBondContact OH-SG 2.73Å; Y167-V233 HydrophobicContact CD1-CB 4.44Å; Y167-V233 HydrophobicContact CD1-CG2 4.2Å; Y167-V233 HydrophobicContact CD2-CB 3.73Å; Y167-V233 HydrophobicContact CD2-CG2 3.88Å; Y167-V233 HydrophobicContact CE2-CB 4.11Å; Y167-V233 HydrophobicContact CG-CB 3.92Å; Y167-V233 HydrophobicContact CG-CG2 3.61Å
168S83.8Confident85.7Confident33 Ų3350.6 Ų50.623%0.23126%0.257CS..Hα-helixtrans-61-42.5175.9-69.10000111.3T164 L165 R171 V172 T229T164-S168 PolarHBondContact O-N 3.36Å; T164-S168 PolarHBondContact O-OG 3.08Å; L165-S168 PolarHBondContact O-N 2.81Å; L165-S168 VanDerWaalsContact O-N 3.16Å; S168-R171 PolarHBondContact O-N 3.17Å; S168-V172 PolarHBondContact O-N 2.96Å; S168-T229 PolarHBondContact OG-O 2.9Å
169Q85.1Confident85.9Confident52 Ų5249.9 Ų49.924%0.24325%0.254CS..Hα-helixtrans-62.4-43.1175.6-70.2171.1-4100112.1L165 L166 Y167 V172 F173L165-Q169 HydrophobicContact CD1-CG 4.43Å; L165-Q169 WeakPolarHBondContact O-CG 3.35Å; L165-Q169 PolarHBondContact O-N 3.43Å; L166-Q169 PolarHBondContact O-N 2.99Å; Y167-Q169 VanDerWaalsContact C-N 3.32Å; Y167-Q169 PolarHBondContact O-N 3.2Å; Q169-V172 WeakPolarHBondContact O-CB 3.5Å; Q169-V172 PolarHBondContact O-N 3.46Å; Q169-F173 WeakPolarHBondContact O-CD2 3.09Å
170L91.6Very high86.3Confident2 Ų243.2 Ų43.21%0.0123%0.229CC..Hα-helixtrans-64.7-40.3176-69.2166.8000111.7L136 L140 F153 L166 Y167 V172 F173 F174 V177 A194L136-L170 HydrophobicContact CD2-CD1 4.49Å; L140-L170 HydrophobicContact CD1-CD2 4.05Å; L140-L170 HydrophobicContact CD2-CD2 3.92Å; L140-L170 HydrophobicContact CG-CD2 4.46Å; F153-L170 HydrophobicContact CD1-CD2 4.2Å; F153-L170 HydrophobicContact CE1-CD2 4.05Å; L166-L170 VanDerWaalsContact O-CG 3.27Å; L166-L170 WeakPolarHBondContact O-CG 3.37Å; L166-L170 PolarHBondContact O-N 3.23Å; Y167-L170 PolarHBondContact O-N 3.26Å; L170-V172 PolarHBondContact O-N 3.26Å; L170-V172 VanDerWaalsContact O-N 3.14Å; L170-F173 PolarHBondContact O-N 2.76Å; L170-F174 HydrophobicContact CD2-CE2 4.48Å; L170-F174 WeakPolarHBondContact O-CD2 3.49Å; L170-F174 PolarHBondContact O-N 3.43Å; L170-F174 VanDerWaalsContact O-N 3.16Å; L170-V177 HydrophobicContact CB-CG1 4.11Å; L170-V177 HydrophobicContact CB-CG2 3.92Å; L170-V177 HydrophobicContact CD1-CG1 4.21Å; L170-A194 HydrophobicContact CD1-CB 3.77Å
171R91.2Very high87.1Confident98 Ų9843.7 Ų43.737%0.3722%0.223SC..Hα-helixtrans-66-14180-74.9-174.870.2-107.6-1.6114.3Y167 S168 F173 V177 I231Y167-R171 WeakPolarHBondContact O-CB 3.25Å; Y167-R171 WeakPolarHBondContact O-CG 3.43Å; Y167-R171 PolarHBondContact O-N 3.36Å; S168-R171 PolarHBondContact O-N 3.17Å; R171-F173 VanDerWaalsContact C-N 3.26Å; R171-V177 HydrophobicContact CB-CG2 4.42Å; R171-V177 HydrophobicContact CG-CB 3.81Å; R171-V177 HydrophobicContact CG-CG2 3.56Å; R171-I231 VanDerWaalsContact CZ-CD1 3.44Å
172V89.1Confident88.1Confident79 Ų7933.6 Ų33.648%0.47919%0.185SC..THydrogen-bonded Turntrans-67.6-29.8169.8176.30000111.6S168 Q169 L170 P202S168-V172 PolarHBondContact O-N 2.96Å; Q169-V172 WeakPolarHBondContact O-CB 3.5Å; Q169-V172 PolarHBondContact O-N 3.46Å; L170-V172 PolarHBondContact O-N 3.26Å; L170-V172 VanDerWaalsContact O-N 3.14Å; V172-P202 HydrophobicContact CG1-CG 3.71Å
173F93.2Very high89.1Confident17 Ų1732.8 Ų32.88%0.07518%0.177CC..THydrogen-bonded Turntrans-111.3-6.7-172.9-65.1-79.6000113.9L140 T144 Q169 L170 R171 Y199 D200 P201 F205L140-F173 HydrophobicContact CD2-CD2 4.27Å; T144-F173 HydrophobicContact CG2-CD1 4.32Å; T144-F173 HydrophobicContact CG2-CE1 4.35Å; Q169-F173 WeakPolarHBondContact O-CD2 3.09Å; L170-F173 PolarHBondContact O-N 2.76Å; R171-F173 VanDerWaalsContact C-N 3.26Å; F173-Y199 HydrophobicContact CB-CD2 4.28Å; F173-Y199 HydrophobicContact CB-CE2 4.05Å; F173-Y199 HydrophobicContact CD1-CE2 4.25Å; F173-Y199 CarbonylContact O-C 3.59Å; F173-Y199 WeakPolarHBondContact O-CA 3.11Å; F173-Y199 VanDerWaalsContact O-CD2 3.24Å; F173-Y199 WeakPolarHBondContact O-CD2 3.45Å; F173-D200 CarbonylContact O-C 3.57Å; F173-D200 PolarHBondContact O-N 2.97Å; F173-P201 HydrophobicContact CD1-CB 4.15Å; F173-F205 AromaticContact CE1-CD1 3.98Å; F173-F205 HydrophobicContact CE1-CD1 3.98Å; F173-F205 AromaticContact CE1-CD2 3.99Å; F173-F205 HydrophobicContact CE1-CD2 3.99Å; F173-F205 AromaticContact CE1-CE1 3.71Å; F173-F205 HydrophobicContact CE1-CE1 3.71Å; F173-F205 AromaticContact CE1-CE2 3.73Å; F173-F205 HydrophobicContact CE1-CE2 3.73Å; F173-F205 HydrophobicContact CE1-CG 4.11Å; F173-F205 AromaticContact CE1-CZ 3.58Å; F173-F205 HydrophobicContact CE1-CZ 3.58Å; F173-F205 HydrophobicContact CZ-CD2 4.36Å; F173-F205 HydrophobicContact CZ-CE1 4.47Å; F173-F205 AromaticContact CZ-CE2 3.83Å; F173-F205 HydrophobicContact CZ-CE2 3.83Å; F173-F205 AromaticContact CZ-CZ 3.89Å; F173-F205 HydrophobicContact CZ-CZ 3.89Å
174F96.6Very high89.6Confident6 Ų632.2 Ų32.23%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-139.5134.5-174.6-63.5-87.3000111.5L140 L147 F153 L170 S176 V177 C196 Y199L140-F174 HydrophobicContact CD1-CE2 3.7Å; L140-F174 HydrophobicContact CD1-CZ 4.33Å; L147-F174 HydrophobicContact CD2-CE1 3.79Å; L147-F174 HydrophobicContact CD2-CZ 4.02Å; F153-F174 HydrophobicContact CB-CE1 3.71Å; F153-F174 HydrophobicContact CB-CE2 4.21Å; F153-F174 HydrophobicContact CB-CZ 3.37Å; F153-F174 HydrophobicContact CD1-CE2 4.27Å; F153-F174 HydrophobicContact CD1-CZ 4.22Å; F153-F174 HydrophobicContact CG-CZ 4.1Å; L170-F174 HydrophobicContact CD2-CE2 4.48Å; L170-F174 WeakPolarHBondContact O-CD2 3.49Å; L170-F174 PolarHBondContact O-N 3.43Å; L170-F174 VanDerWaalsContact O-N 3.16Å; F174-S176 VanDerWaalsContact C-N 3.28Å; F174-S176 PolarHBondContact O-N 3.04Å; F174-V177 HydrophobicContact CB-CG2 3.97Å; F174-C196 HydrophobicContact CB-CB 3.98Å; F174-C196 HydrophobicContact CD1-CB 3.58Å; F174-C196 HydrophobicContact CD2-CB 3.62Å; F174-C196 HydrophobicContact CE1-CB 3.9Å; F174-C196 HydrophobicContact CE2-CB 3.96Å; F174-C196 HydrophobicContact CG-CB 3.45Å; F174-C196 VanDerWaalsContact CG-CB 3.45Å; F174-C196 HydrophobicContact CZ-CB 4.11Å; F174-Y199 HydrophobicContact CD1-CD2 4.26Å; F174-Y199 AromaticContact CE1-CD2 3.75Å; F174-Y199 HydrophobicContact CE1-CD2 3.75Å; F174-Y199 HydrophobicContact CE1-CG 4.14Å; F174-Y199 HydrophobicContact CE2-CD2 4.32Å; F174-Y199 AromaticContact CZ-CD2 3.75Å; F174-Y199 HydrophobicContact CZ-CD2 3.75Å
175S94.7Very high90.1Very high94 Ų9429.7 Ų29.766%0.65716%0.158SC*.EExtended strand (participates in β ladder)trans-63.2-31.7176.963.50000113.7Q197 G198S175-Q197 PolarHBondContact N-O 3.38Å; S175-Q197 PolarHBondContact OG-O 3.19Å; S175-G198 PolarHBondContact N-O 3.17Å; S175-G198 PolarHBondContact OG-O 2.73Å
176S94.9Very high90.4Very high40 Ų4033.9 Ų33.928%0.2817%0.171SC..EExtended strand (participates in β ladder)trans-133.8129.9178.7-179.90000110.1F174 C196 Q197F174-S176 VanDerWaalsContact C-N 3.28Å; F174-S176 PolarHBondContact O-N 3.04Å; S176-C196 CarbonylContact O-C 3.53Å; S176-C196 VanDerWaalsContact O-CA 3.29Å; S176-C196 WeakPolarHBondContact O-CA 3.47Å; S176-Q197 PolarHBondContact N-O 3.38Å; S176-Q197 VanDerWaalsContact N-O 3.15Å; S176-Q197 PolarHBondContact O-N 2.97Å
177V94.6Very high90.2Very high6 Ų638.9 Ų38.94%0.03620%0.198CC..EExtended strand (participates in β ladder)trans-131.6120.1174.5179.60000106.9Y167 L170 R171 F174 C196 V233Y167-V177 HydrophobicContact CD1-CG1 4.39Å; L170-V177 HydrophobicContact CB-CG1 4.11Å; L170-V177 HydrophobicContact CB-CG2 3.92Å; L170-V177 HydrophobicContact CD1-CG1 4.21Å; R171-V177 HydrophobicContact CB-CG2 4.42Å; R171-V177 HydrophobicContact CG-CB 3.81Å; R171-V177 HydrophobicContact CG-CG2 3.56Å; F174-V177 HydrophobicContact CB-CG2 3.97Å; V177-C196 HydrophobicContact CG2-CB 4.37Å; V177-V233 HydrophobicContact CB-CG2 4.25Å; V177-V233 HydrophobicContact CG1-CG1 4.5Å; V177-V233 HydrophobicContact CG1-CG2 4.05Å; V177-V233 WeakPolarHBondContact O-CG1 3.3Å
178L93.6Very high89.9Confident29 Ų2942.8 Ų42.815%0.15223%0.227CC..EExtended strand (participates in β ladder)trans-122.6143.7-179.5-65.2176.3000110.5F36 A194 V195 P234 V236F36-L178 HydrophobicContact CD1-CD1 4.27Å; F36-L178 HydrophobicContact CE1-CB 4.47Å; F36-L178 HydrophobicContact CE1-CD1 3.63Å; L178-A194 CarbonylContact O-C 3.55Å; L178-A194 WeakPolarHBondContact O-CA 3.18Å; L178-V195 PolarHBondContact N-O 2.9Å; L178-V195 PolarHBondContact O-N 2.97Å; L178-P234 HydrophobicContact CD2-CB 3.66Å; L178-P234 HydrophobicContact CD2-CG 3.56Å; L178-V236 HydrophobicContact CD1-CG2 4.48Å; L178-V236 HydrophobicContact CD2-CG2 4.46Å
179C93.2Very high89.9Confident3 Ų343.2 Ų43.22%0.0223%0.23CC..EExtended strand (participates in β ladder)trans-97.5121.7172.2-177.10000109.1Y167 F193 V233 P234 F235 V236Y167-C179 HydrophobicContact CE1-CB 4.44Å; Y167-C179 WeakPolarHBondContact OH-CB 3.42Å; Y167-C179 PolarHBondContact OH-SG 2.73Å; C179-F193 WeakPolarHBondContact CA-O 3.46Å; C179-V233 HydrophobicContact CB-CG1 4.04Å; C179-V233 VanDerWaalsContact N-CG1 3.33Å; C179-P234 PolarHBondContact N-O 3.19Å; C179-P234 VanDerWaalsContact N-O 3.16Å; C179-F235 HydrophobicContact CB-CD2 4.34Å; C179-V236 PolarHBondContact O-N 3.47Å
180A93.5Very high90Very high0 Ų043.9 Ų43.90%023%0.234CC..EExtended strand (participates in β ladder)trans-118.8130.5-176.300000111.4L32 F36 A192 F193 V195 V236 C238L32-A180 HydrophobicContact CD2-CB 3.45Å; L32-A180 VanDerWaalsContact CD2-CB 3.45Å; F36-A180 HydrophobicContact CE2-CB 3.7Å; F36-A180 HydrophobicContact CZ-CB 3.95Å; A180-A192 CarbonylContact O-C 3.56Å; A180-F193 HydrophobicContact CB-CB 4.5Å; A180-F193 PolarHBondContact N-O 2.57Å; A180-F193 PolarHBondContact O-N 3.1Å; A180-V195 HydrophobicContact CB-CG2 3.9Å; A180-V236 WeakPolarHBondContact CA-O 3.48Å; A180-C238 VanDerWaalsContact CB-SG 3.59Å
181K93.4Very high90Very high37 Ų3744.6 Ų44.616%0.16124%0.238CC..EExtended strand (participates in β ladder)trans-116.499.2169.8-168.1176176.6780109.9R186 S189 E191 F235 V236K181-R186 WeakPolarHBondContact CE-O 3.42Å; K181-R186 PolarHBondContact NZ-O 2.93Å; K181-S189 PolarHBondContact NZ-O 3.34Å; K181-E191 PolarHBondContact NZ-O 3.22Å; K181-F235 HydrophobicContact CB-CE2 4.18Å; K181-F235 HydrophobicContact CB-CZ 4.12Å; K181-V236 PolarHBondContact N-O 3.32Å
182P92.5Very high90.1Very high1 Ų140 Ų401%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-64.5145.5176.3-21.633.4000111.3K28 Q31 L32 S184 S185 F193K28-P182 HydrophobicContact CB-CB 4.42Å; K28-P182 HydrophobicContact CB-CG 4.27Å; Q31-P182 HydrophobicContact CB-CB 4.04Å; Q31-P182 VanDerWaalsContact OE1-CB 3.23Å; L32-P182 HydrophobicContact CD1-CG 4.22Å; L32-P182 HydrophobicContact CD2-CG 3.72Å; L32-P182 HydrophobicContact CG-CG 3.73Å; P182-S184 PolarHBondContact O-N 2.79Å; P182-S184 VanDerWaalsContact O-N 3.15Å; P182-S185 WeakPolarHBondContact O-CA 3.48Å; P182-S185 VanDerWaalsContact O-CB 3.22Å; P182-S185 WeakPolarHBondContact O-CB 3.5Å; P182-S185 PolarHBondContact O-N 2.82Å; P182-F193 HydrophobicContact CG-CD2 3.89Å; P182-F193 HydrophobicContact CG-CE2 4.12Å
183R88.8Confident90.5Very high58 Ų5836.3 Ų36.322%0.21920%0.198CC..THydrogen-bonded Turntrans-58.1-27.8175.7-68.9-177.9-178.2-114.3-16.7114.6S185 C238 G239 D240 L241 S246R183-S185 PolarHBondContact O-N 2.79Å; R183-S185 VanDerWaalsContact O-O 3.11Å; R183-C238 PolarHBondContact N-O 3.35Å; R183-G239 VanDerWaalsContact NE-C 3.28Å; R183-G239 PolarHBondContact NE-O 3.14Å; R183-G239 PolarHBondContact NH2-O 2.85Å; R183-D240 PolarHBondContact NE-O 2.85Å; R183-D240 PolarHBondContact NH1-O 2.82Å; R183-D240 PolarHBondContact NH2-O 3.37Å; R183-L241 VanDerWaalsContact NH1-C 3.34Å; R183-L241 PolarHBondContact NH1-O 3.49Å; R183-L241 VanDerWaalsContact NH1-O 3.15Å; R183-L241 VanDerWaalsContact NH2-N 3.16Å; R183-S246 VanDerWaalsContact O-CB 3.26Å; R183-S246 WeakPolarHBondContact O-CB 3.4Å; R183-S246 PolarHBondContact O-OG 3.39Å
184S89.5Confident90.6Very high0 Ų035.5 Ų35.50%020%0.195CC..THydrogen-bonded Turntrans-73.9-11.6175.259.80000113.5Y12 R24 F27 K28 Q31 P182Y12-S184 VanDerWaalsContact CE2-CA 3.46Å; R24-S184 PolarHBondContact NH2-O 3.04Å; F27-S184 VanDerWaalsContact C-OG 3.24Å; F27-S184 PolarHBondContact O-OG 3.49Å; K28-S184 WeakPolarHBondContact CA-OG 3.32Å; K28-S184 VanDerWaalsContact CG-OG 3.28Å; K28-S184 WeakPolarHBondContact CG-OG 3.48Å; K28-S184 PolarHBondContact N-OG 3.29Å; K28-S184 VanDerWaalsContact N-OG 3.09Å; Q31-S184 VanDerWaalsContact OE1-CB 3.25Å; Q31-S184 PolarHBondContact OE1-OG 2.78Å; P182-S184 PolarHBondContact O-N 2.79Å; P182-S184 VanDerWaalsContact O-N 3.15Å
185S87Confident90.6Very high4 Ų435.2 Ų35.23%0.02819%0.194CC..SBendtrans-78.3143162.6-169.20000109.7P182 R183 E191 S246P182-S185 WeakPolarHBondContact O-CA 3.48Å; P182-S185 VanDerWaalsContact O-CB 3.22Å; P182-S185 WeakPolarHBondContact O-CB 3.5Å; P182-S185 PolarHBondContact O-N 2.82Å; R183-S185 PolarHBondContact O-N 2.79Å; R183-S185 VanDerWaalsContact O-O 3.11Å; S185-E191 WeakPolarHBondContact CB-OE1 3.27Å; S185-E191 PolarHBondContact OG-OE1 3.19Å; S185-S246 WeakPolarHBondContact O-CB 3.36Å; S185-S246 PolarHBondContact O-OG 3.31Å
186R84.8Confident90.8Very high125 Ų12530.7 Ų30.747%0.47216%0.162SC..  trans-67.4136.8178.7-72.5179.8-178.1162.13.5109.9D10 K181 S188 S189 S246 D247D10-R186 IonicContact OD2-NH2 3.27Å; K181-R186 WeakPolarHBondContact CE-O 3.42Å; K181-R186 PolarHBondContact NZ-O 2.93Å; R186-S188 VanDerWaalsContact C-N 3.25Å; R186-S188 PolarHBondContact O-N 3.44Å; R186-S189 WeakPolarHBondContact O-CB 3.38Å; R186-S189 PolarHBondContact O-N 3.27Å; R186-S189 VanDerWaalsContact O-N 3.13Å; R186-S246 WeakPolarHBondContact CA-OG 3.45Å; R186-D247 WeakPolarHBondContact CA-OD1 3.11Å; R186-D247 WeakPolarHBondContact CB-OD1 3.2Å
187N77.1Confident90.9Very high119 Ų11931.5 Ų31.564%0.63616%0.161SC*.THydrogen-bonded Turntrans-70.3-29.4177.7179.672.1000110.9S189 D247N187-S189 PolarHBondContact O-N 3.49Å; N187-D247 VanDerWaalsContact C-OD2 3.27Å; N187-D247 VanDerWaalsContact CA-OD2 3.28Å; N187-D247 WeakPolarHBondContact CA-OD2 3.38Å; N187-D247 WeakPolarHBondContact CB-OD2 3.33Å; N187-D247 PolarHBondContact N-OD1 3.02Å; N187-D247 PolarHBondContact N-OD2 3.01Å
188S79.8Confident91Very high96 Ų9632.1 Ų32.167%0.67117%0.169SC*.THydrogen-bonded Turntrans-69.4-10.8171.3810000114.3R186 D247R186-S188 VanDerWaalsContact C-N 3.25Å; R186-S188 PolarHBondContact O-N 3.44Å; S188-D247 PolarHBondContact N-OD2 2.91Å
189S84Confident91.2Very high41 Ų4131.2 Ų31.229%0.28716%0.164SC..SBendtrans-92140.8178.1-177.80000110.7K181 R186 N187 E191K181-S189 PolarHBondContact NZ-O 3.34Å; R186-S189 WeakPolarHBondContact O-CB 3.38Å; R186-S189 PolarHBondContact O-N 3.27Å; R186-S189 VanDerWaalsContact O-N 3.13Å; N187-S189 PolarHBondContact O-N 3.49Å; S189-E191 PolarHBondContact O-N 3.48Å; S189-E191 WeakPolarHBondContact OG-CB 3.43Å; S189-E191 PolarHBondContact OG-N 3.45Å; S189-E191 VanDerWaalsContact OG-N 3.11Å
190I87.5Confident91.3Very high66 Ų6636.5 Ų36.534%0.33819%0.192SC..  trans-75.2-0.7169.464.6174.7000112.9F158 R159 A192F158-I190 HydrophobicContact CB-CD1 3.86Å; F158-I190 HydrophobicContact CB-CG1 4.08Å; F158-I190 HydrophobicContact CD1-CG1 4.28Å; F158-I190 HydrophobicContact CD2-CD1 4.24Å; F158-I190 HydrophobicContact CG-CD1 4.05Å; F158-I190 HydrophobicContact CG-CG1 4.07Å; R159-I190 PolarHBondContact N-O 3.37Å; I190-A192 PolarHBondContact O-N 3.14Å
191E91.4Very high91.2Very high18 Ų1838.2 Ų38.28%0.08420%0.203CC..EExtended strand (participates in β ladder)trans-60.5132.2175-175-169.679.300111.8K28 K156 I157 F158 K181 S185 S189 F193K28-E191 VanDerWaalsContact CE-OE1 3.26Å; K28-E191 WeakPolarHBondContact CE-OE1 3.33Å; K28-E191 IonicContact NZ-OE1 2.73Å; K28-E191 PolarHBondContact NZ-OE1 3.3Å; K28-E191 IonicContact NZ-OE2 3.61Å; K28-E191 PolarHBondContact NZ-OE2 3.44Å; K156-E191 HydrophobicContact CD-CG 3.96Å; K156-E191 WeakPolarHBondContact CE-OE2 3.39Å; K156-E191 HydrophobicContact CG-CG 3.86Å; K156-E191 IonicContact NZ-OE2 3.01Å; K156-E191 PolarHBondContact NZ-OE2 2.98Å; K156-E191 VanDerWaalsContact NZ-OE2 3.17Å; I157-E191 WeakPolarHBondContact O-CA 3.36Å; F158-E191 HydrophobicContact CE1-CB 4.46Å; K181-E191 PolarHBondContact NZ-O 3.22Å; S185-E191 WeakPolarHBondContact CB-OE1 3.27Å; S185-E191 PolarHBondContact OG-OE1 3.19Å; S189-E191 PolarHBondContact O-N 3.48Å; S189-E191 WeakPolarHBondContact OG-CB 3.43Å; S189-E191 PolarHBondContact OG-N 3.45Å; S189-E191 VanDerWaalsContact OG-N 3.11Å; E191-F193 HydrophobicContact CG-CE2 4.25Å; E191-F193 HydrophobicContact CG-CZ 4.42Å
192A93.8Very high91Very high2 Ų239.2 Ų39.22%0.01721%0.213CC..EExtended strand (participates in β ladder)trans-141.9-176.9165.700000109I157 A180 I190I157-A192 HydrophobicContact CD1-CB 4.29Å; I157-A192 HydrophobicContact CG1-CB 3.95Å; I157-A192 PolarHBondContact N-O 2.99Å; I157-A192 PolarHBondContact O-N 2.88Å; I157-A192 VanDerWaalsContact O-O 3.09Å; A180-A192 CarbonylContact O-C 3.56Å; I190-A192 PolarHBondContact O-N 3.14Å
193F96.2Very high90.7Very high0 Ų048.9 Ų48.90%026%0.258CS..EExtended strand (participates in β ladder)trans-129.4128.7178.8-66.4-90.8000110K28 L32 W55 D116 A155 K156 C179 A180 P182 E191K28-F193 HydrophobicContact CB-CE2 4.32Å; K28-F193 HydrophobicContact CB-CZ 4.24Å; K28-F193 HydrophobicContact CD-CE2 3.78Å; K28-F193 HydrophobicContact CD-CZ 3.5Å; K28-F193 VanDerWaalsContact CD-CZ 3.5Å; K28-F193 HydrophobicContact CG-CE2 4.48Å; K28-F193 HydrophobicContact CG-CZ 4.46Å; L32-F193 HydrophobicContact CD1-CB 4.08Å; L32-F193 HydrophobicContact CD1-CD1 4.08Å; L32-F193 HydrophobicContact CD1-CD2 4.25Å; L32-F193 HydrophobicContact CD1-CG 3.84Å; L32-F193 HydrophobicContact CD2-CB 4.32Å; W55-F193 AromaticContact CH2-CD1 3.69Å; W55-F193 HydrophobicContact CH2-CD1 3.69Å; W55-F193 AromaticContact CH2-CE1 3.39Å; W55-F193 HydrophobicContact CH2-CE1 3.39Å; W55-F193 HydrophobicContact CH2-CZ 4.34Å; W55-F193 HydrophobicContact CZ2-CD1 4.21Å; W55-F193 AromaticContact CZ2-CE1 3.54Å; W55-F193 HydrophobicContact CZ2-CE1 3.54Å; W55-F193 HydrophobicContact CZ2-CZ 4.06Å; D116-F193 WeakPolarHBondContact OD1-CE1 3.47Å; D116-F193 WeakPolarHBondContact OD1-CZ 3.47Å; A155-F193 CarbonylContact O-C 3.53Å; A155-F193 VanDerWaalsContact O-CA 3.28Å; A155-F193 WeakPolarHBondContact O-CA 3.42Å; K156-F193 HydrophobicContact CB-CD1 4.22Å; K156-F193 HydrophobicContact CB-CE1 3.86Å; K156-F193 HydrophobicContact CG-CE1 4.37Å; C179-F193 WeakPolarHBondContact CA-O 3.46Å; A180-F193 HydrophobicContact CB-CB 4.5Å; A180-F193 PolarHBondContact N-O 2.57Å; A180-F193 PolarHBondContact O-N 3.1Å; P182-F193 HydrophobicContact CG-CD2 3.89Å; P182-F193 HydrophobicContact CG-CE2 4.12Å; E191-F193 HydrophobicContact CG-CE2 4.25Å; E191-F193 HydrophobicContact CG-CZ 4.42Å
194A95.5Very high90.5Very high0 Ų049.6 Ų49.60%028%0.283CS..EExtended strand (participates in β ladder)trans-78.9122.1164.300000108.3V154 A155 I157 L170 L178V154-A194 VanDerWaalsContact CA-O 3.32Å; V154-A194 WeakPolarHBondContact CA-O 3.36Å; A155-A194 PolarHBondContact N-O 3.48Å; A155-A194 PolarHBondContact O-N 3.07Å; I157-A194 HydrophobicContact CD1-CB 4.41Å; I157-A194 HydrophobicContact CG2-CB 3.96Å; L170-A194 HydrophobicContact CD1-CB 3.77Å; L178-A194 CarbonylContact O-C 3.55Å; L178-A194 WeakPolarHBondContact O-CA 3.18Å
195V97.7Very high90.2Very high0 Ų052.8 Ų52.80%030%0.297CS..EExtended strand (participates in β ladder)trans-108.8106174.6179.90000107.3L32 F36 L38 V154 L178 A180 Q197L32-V195 HydrophobicContact CD2-CG2 4.09Å; F36-V195 HydrophobicContact CB-CG1 4.29Å; F36-V195 HydrophobicContact CD1-CG1 4.19Å; F36-V195 HydrophobicContact CD2-CB 4.44Å; F36-V195 HydrophobicContact CD2-CG1 3.99Å; F36-V195 HydrophobicContact CD2-CG2 3.96Å; F36-V195 HydrophobicContact CE2-CB 4.38Å; F36-V195 HydrophobicContact CE2-CG1 4.39Å; F36-V195 HydrophobicContact CE2-CG2 3.77Å; F36-V195 HydrophobicContact CG-CG1 3.9Å; F36-V195 HydrophobicContact CZ-CG2 4.32Å; L38-V195 HydrophobicContact CD2-CG1 4.1Å; V154-V195 HydrophobicContact CG1-CG2 4.25Å; V154-V195 HydrophobicContact CG2-CG1 4.27Å; V154-V195 HydrophobicContact CG2-CG2 4.5Å; L178-V195 PolarHBondContact N-O 2.9Å; L178-V195 PolarHBondContact O-N 2.97Å; A180-V195 HydrophobicContact CB-CG2 3.9Å; V195-Q197 HydrophobicContact CG1-CG 4.4Å
196C97.9Very high90Very high0 Ų059.2 Ų59.20%033%0.33CS..EExtended strand (participates in β ladder)trans-108.7126.3-175.6-42.70000109.1C152 F153 F174 S176 V177C152-C196 CarbonylContact C-O 3.55Å; C152-C196 VanDerWaalsContact CA-O 3.3Å; C152-C196 WeakPolarHBondContact CA-O 3.13Å; F153-C196 HydrophobicContact CB-CB 4.22Å; F153-C196 HydrophobicContact CD1-CB 4.48Å; F153-C196 PolarHBondContact N-O 2.92Å; F153-C196 WeakPolarHBondContact O-CA 3.37Å; F153-C196 WeakPolarHBondContact O-CB 3.26Å; F153-C196 PolarHBondContact O-N 3.3Å; F174-C196 HydrophobicContact CB-CB 3.98Å; F174-C196 HydrophobicContact CD1-CB 3.58Å; F174-C196 HydrophobicContact CD2-CB 3.62Å; F174-C196 HydrophobicContact CE1-CB 3.9Å; F174-C196 HydrophobicContact CE2-CB 3.96Å; F174-C196 HydrophobicContact CG-CB 3.45Å; F174-C196 VanDerWaalsContact CG-CB 3.45Å; F174-C196 HydrophobicContact CZ-CB 4.11Å; S176-C196 CarbonylContact O-C 3.53Å; S176-C196 VanDerWaalsContact O-CA 3.29Å; S176-C196 WeakPolarHBondContact O-CA 3.47Å; V177-C196 HydrophobicContact CG2-CB 4.37Å
197Q97.4Very high89.9Confident56 Ų5655.4 Ų55.426%0.26232%0.321SS..EExtended strand (participates in β ladder)trans-126.2148.9-176.9-59.7-177.2-53.400110.8S175 S176 V195S175-Q197 PolarHBondContact N-O 3.38Å; S175-Q197 PolarHBondContact OG-O 3.19Å; S176-Q197 PolarHBondContact N-O 3.38Å; S176-Q197 VanDerWaalsContact N-O 3.15Å; S176-Q197 PolarHBondContact O-N 2.97Å; V195-Q197 HydrophobicContact CG1-CG 4.4Å
198G97Very high89.8Confident19 Ų1953.2 Ų53.220%0.19631%0.31CS..EExtended strand (participates in β ladder)trans67.665.2179.400000111.2G151 S175 D200G151-G198 PolarHBondContact O-N 3.03Å; S175-G198 PolarHBondContact N-O 3.17Å; S175-G198 PolarHBondContact OG-O 2.73Å; G198-D200 PolarHBondContact O-N 3.44Å
199Y98.1Very high89.6Confident11 Ų1149.4 Ų49.44%0.04328%0.282CS..EExtended strand (participates in β ladder)trans-54.1118.1173.1-179.2-121.9000110.6T144 L147 K148 P149 G150 G151 F173 F174 P201T144-Y199 VanDerWaalsContact CA-OH 3.25Å; T144-Y199 WeakPolarHBondContact CA-OH 3.38Å; T144-Y199 VanDerWaalsContact CB-OH 3.25Å; T144-Y199 WeakPolarHBondContact CB-OH 3.48Å; T144-Y199 HydrophobicContact CG2-CE2 4.3Å; T144-Y199 PolarHBondContact O-OH 3.21Å; L147-Y199 HydrophobicContact CB-CD1 4.27Å; L147-Y199 HydrophobicContact CD2-CD1 4.2Å; L147-Y199 HydrophobicContact CD2-CD2 4.15Å; L147-Y199 HydrophobicContact CD2-CG 3.75Å; L147-Y199 HydrophobicContact CG-CD1 4.24Å; L147-Y199 HydrophobicContact CG-CG 4.27Å; K148-Y199 WeakPolarHBondContact O-CD1 3.45Å; P149-Y199 CarbonylContact C-O 3.59Å; P149-Y199 WeakPolarHBondContact CA-O 3.3Å; G150-Y199 PolarHBondContact N-O 2.96Å; G151-Y199 PolarHBondContact O-N 2.96Å; F173-Y199 HydrophobicContact CB-CD2 4.28Å; F173-Y199 HydrophobicContact CB-CE2 4.05Å; F173-Y199 HydrophobicContact CD1-CE2 4.25Å; F173-Y199 CarbonylContact O-C 3.59Å; F173-Y199 WeakPolarHBondContact O-CA 3.11Å; F173-Y199 VanDerWaalsContact O-CD2 3.24Å; F173-Y199 WeakPolarHBondContact O-CD2 3.45Å; F174-Y199 HydrophobicContact CD1-CD2 4.26Å; F174-Y199 AromaticContact CE1-CD2 3.75Å; F174-Y199 HydrophobicContact CE1-CD2 3.75Å; F174-Y199 HydrophobicContact CE1-CG 4.14Å; F174-Y199 HydrophobicContact CE2-CD2 4.32Å; F174-Y199 AromaticContact CZ-CD2 3.75Å; F174-Y199 HydrophobicContact CZ-CD2 3.75Å; Y199-P201 HydrophobicContact CE1-CG 3.96Å; Y199-P201 HydrophobicContact CE2-CB 4.27Å; Y199-P201 HydrophobicContact CE2-CG 4.46Å
200D94.9Very high88.6Confident113 Ų11351.6 Ų51.660%0.60430%0.297SS*.  trans-143.179.7-173.9-170.731.4000108F173 G198F173-D200 CarbonylContact O-C 3.57Å; F173-D200 PolarHBondContact O-N 2.97Å; G198-D200 PolarHBondContact O-N 3.44Å
201P91.5Very high87.4Confident37 Ų3755.5 Ų55.524%0.2431%0.312CS..PPolyproline II helixtrans-67.8149.4-179.128.7-34000110.8F173 Y199 F205F173-P201 HydrophobicContact CD1-CB 4.15Å; Y199-P201 HydrophobicContact CE1-CG 3.96Å; Y199-P201 HydrophobicContact CE2-CB 4.27Å; Y199-P201 HydrophobicContact CE2-CG 4.46Å; P201-F205 HydrophobicContact CB-CB 4.36Å; P201-F205 HydrophobicContact CB-CD1 3.99Å; P201-F205 HydrophobicContact CB-CG 4.47Å
202P88.5Confident85.7Confident58 Ų5856.5 Ų56.538%0.37732%0.32SS..PPolyproline II helixtrans-54.8148.3178.1-25.734000113V172 G204 F205V172-P202 HydrophobicContact CG1-CG 3.71Å; P202-G204 PolarHBondContact O-N 3.37Å; P202-F205 HydrophobicContact CB-CB 4.4Å; P202-F205 WeakPolarHBondContact O-CB 3.36Å; P202-F205 PolarHBondContact O-N 3.01Å
203E86.3Confident84Confident204 Ų20459.6 Ų59.695%0.95334%0.336SS*.THydrogen-bonded Turntrans-56.7128.7178.1-169.9177.3-178.100110.9F205E203-F205 VanDerWaalsContact C-N 3.27Å; E203-F205 PolarHBondContact O-N 3.48Å
204G83.7Confident82Confident72 Ų7261.5 Ų61.574%0.74235%0.346SS*.THydrogen-bonded Turntrans77.14.4-177.500000115.3P202 I206P202-G204 PolarHBondContact O-N 3.37Å; G204-I206 PolarHBondContact O-N 3.04Å
205F84.5Confident79.7Confident67 Ų6767 Ų6729%0.29438%0.375SS..  trans-64124.5172.5178.6-100.2000110.9T144 F173 P201 P202 E203 P207T144-F205 HydrophobicContact CG2-CE1 4.16Å; T144-F205 HydrophobicContact CG2-CZ 4.43Å; F173-F205 AromaticContact CE1-CD1 3.98Å; F173-F205 HydrophobicContact CE1-CD1 3.98Å; F173-F205 AromaticContact CE1-CD2 3.99Å; F173-F205 HydrophobicContact CE1-CD2 3.99Å; F173-F205 AromaticContact CE1-CE1 3.71Å; F173-F205 HydrophobicContact CE1-CE1 3.71Å; F173-F205 AromaticContact CE1-CE2 3.73Å; F173-F205 HydrophobicContact CE1-CE2 3.73Å; F173-F205 HydrophobicContact CE1-CG 4.11Å; F173-F205 AromaticContact CE1-CZ 3.58Å; F173-F205 HydrophobicContact CE1-CZ 3.58Å; F173-F205 HydrophobicContact CZ-CD2 4.36Å; F173-F205 HydrophobicContact CZ-CE1 4.47Å; F173-F205 AromaticContact CZ-CE2 3.83Å; F173-F205 HydrophobicContact CZ-CE2 3.83Å; F173-F205 AromaticContact CZ-CZ 3.89Å; F173-F205 HydrophobicContact CZ-CZ 3.89Å; P201-F205 HydrophobicContact CB-CB 4.36Å; P201-F205 HydrophobicContact CB-CD1 3.99Å; P201-F205 HydrophobicContact CB-CG 4.47Å; P202-F205 HydrophobicContact CB-CB 4.4Å; P202-F205 WeakPolarHBondContact O-CB 3.36Å; P202-F205 PolarHBondContact O-N 3.01Å; E203-F205 VanDerWaalsContact C-N 3.27Å; E203-F205 PolarHBondContact O-N 3.48Å; F205-P207 HydrophobicContact CD1-CG 4.32Å; F205-P207 HydrophobicContact CE1-CB 4.29Å; F205-P207 HydrophobicContact CE1-CG 3.93Å
206I82.1Confident77.2Confident140 Ų14075.1 Ų75.172%0.71841%0.413SS*.  trans-111.5117.6174.2-59.3175.7000107.3G204 D208G204-I206 PolarHBondContact O-N 3.04Å; I206-D208 PolarHBondContact O-N 3.38Å
207P82.4Confident74.4Confident44 Ų4480.3 Ų80.329%0.28645%0.449SS..  trans-56.8132.6175.2-25.234.2000111.8T144 H145 F205T144-P207 WeakPolarHBondContact O-CG 3.5Å; H145-P207 VanDerWaalsContact CE1-C 3.48Å; H145-P207 WeakPolarHBondContact CE1-CB 3.45Å; H145-P207 WeakPolarHBondContact ND1-CB 2.97Å; H145-P207 VanDerWaalsContact NE2-CB 3.34Å; H145-P207 WeakPolarHBondContact NE2-CB 3.42Å; H145-P207 PolarHBondContact NE2-O 3.05Å; F205-P207 HydrophobicContact CD1-CG 4.32Å; F205-P207 HydrophobicContact CE1-CB 4.29Å; F205-P207 HydrophobicContact CE1-CG 3.93Å
208D76.6Confident71.7Confident74 Ų7484.6 Ų84.640%0.39646%0.464SS..  trans-137.4109.8179.7-176.816.1000111.9N141 H145 I206 S210N141-D208 PolarHBondContact ND2-O 2.7Å; N141-D208 PolarHBondContact OD1-O 2.77Å; H145-D208 PolarHBondContact CE1-N 3.42Å; I206-D208 PolarHBondContact O-N 3.38Å; D208-S210 VanDerWaalsContact C-N 3.29Å; D208-S210 WeakPolarHBondContact OD1-CA 3.28Å; D208-S210 WeakPolarHBondContact OD1-CB 3.46Å; D208-S210 PolarHBondContact OD1-N 3.02Å; D208-S210 PolarHBondContact OD1-OG 3.38Å; D208-S210 PolarHBondContact OD2-OG 3.32Å
209L73.9Confident69.2Low15 Ų1588 Ų888%0.07948%0.478CS..THydrogen-bonded Turntrans-82.4-0.3173.9-80.6162.6000113.6L95 A98 N141 H145 K211L95-L209 HydrophobicContact CB-CB 4.38Å; L95-L209 HydrophobicContact CB-CD1 4.36Å; L95-L209 HydrophobicContact CD1-CD1 4.04Å; A98-L209 HydrophobicContact CB-CD1 3.74Å; N141-L209 HydrophobicContact CB-CD2 4.27Å; H145-L209 VanDerWaalsContact CE1-CG 3.43Å; H145-L209 WeakPolarHBondContact CE1-CG 3.38Å; L209-K211 PolarHBondContact O-N 3.12Å
210S64.1Low66.7Low88 Ų8893 Ų9362%0.61551%0.511SS*.THydrogen-bonded Turntrans-67.4-22.9171860000112.5D208 P212D208-S210 VanDerWaalsContact C-N 3.29Å; D208-S210 WeakPolarHBondContact OD1-CA 3.28Å; D208-S210 WeakPolarHBondContact OD1-CB 3.46Å; D208-S210 PolarHBondContact OD1-N 3.02Å; D208-S210 PolarHBondContact OD1-OG 3.38Å; D208-S210 PolarHBondContact OD2-OG 3.32Å; S210-P212 WeakPolarHBondContact O-CD 3.36Å
211K62.8Low64.7Low148 Ų14891.7 Ų91.764%0.64350%0.504SS*.SBendtrans-119.877.6174-64.5-177.1-175.3178.20110.1N141 L209 L213 L214N141-K211 PolarHBondContact ND2-O 2.6Å; L209-K211 PolarHBondContact O-N 3.12Å; K211-L213 PolarHBondContact O-N 2.95Å; K211-L214 PolarHBondContact O-N 3.1Å
212P55.7Low62.8Low39 Ų3994.4 Ų94.425%0.25351%0.513SS..THydrogen-bonded Turntrans-62.1-24.3-166.921.6-31.9000114.1T93 N141 S210T93-P212 HydrophobicContact CG2-CB 4.09Å; N141-P212 WeakPolarHBondContact ND2-CA 3.44Å; N141-P212 PolarHBondContact ND2-O 3.01Å; S210-P212 WeakPolarHBondContact O-CD 3.36Å
213L56.9Low61Low66 Ų6698.8 Ų98.835%0.34653%0.533SS..THydrogen-bonded Turntrans-99.73.7-170.1-57.6174.4000114.7Q134 L137 K211 D215Q134-L213 HydrophobicContact CB-CD2 4.33Å; Q134-L213 VanDerWaalsContact OE1-CD1 3.29Å; Q134-L213 VanDerWaalsContact OE1-CD2 3.27Å; L137-L213 WeakPolarHBondContact CD1-O 3.25Å; K211-L213 PolarHBondContact O-N 2.95Å; L213-D215 PolarHBondContact O-N 2.73Å
214L55.4Low59.4Low40 Ų4095.6 Ų95.621%0.20952%0.518CS..  trans49.232.2-178.1-59.9173.5000113.4L140 N141 K211 H216L140-L214 HydrophobicContact CD2-CD1 3.86Å; L140-L214 HydrophobicContact CG-CD1 4.2Å; N141-L214 HydrophobicContact CB-CG 4.42Å; K211-L214 PolarHBondContact O-N 3.1Å; L214-H216 PolarHBondContact O-N 3.28Å
215D47.4Very low57.7Low116 Ų11695 Ų9562%0.6250%0.497SS*.  trans-75.9100.4-172-162.816.6000110.3L213L213-D215 PolarHBondContact O-N 2.73Å
216H43.5Very low55.8Low170 Ų17098.1 Ų98.179%0.78752%0.517SS*.  trans-86.7126159-75.6-74.7000106.9L214 Y218L214-H216 PolarHBondContact O-N 3.28Å; H216-Y218 PolarHBondContact O-N 2.99Å; H216-Y218 VanDerWaalsContact O-N 3.1Å
217S39.1Very low54.3Low109 Ų10993.9 Ų93.976%0.76251%0.508SS*.  trans-29.6113.7178.848.50000112.2D219S217-D219 PolarHBondContact O-N 2.8Å
218Y40.7Very low52.2Low146 Ų14697 Ų9757%0.57353%0.528SS*.  trans-51101.6174.1-123-97.6000109.1H216 P220H216-Y218 PolarHBondContact O-N 2.99Å; H216-Y218 VanDerWaalsContact O-N 3.1Å; Y218-P220 WeakPolarHBondContact O-CD 3.26Å
219D45.3Very low50.5Low92 Ų9297 Ų9749%0.49253%0.531SS..  trans-79117.6170.8-163.6-26.2000107.2S217 D221 F222S217-D219 PolarHBondContact O-N 2.8Å; D219-D221 PolarHBondContact O-N 3.07Å; D219-D221 PolarHBondContact OD1-N 3.4Å; D219-F222 HydrophobicContact CB-CD2 4.38Å; D219-F222 HydrophobicContact CB-CE2 4.48Å; D219-F222 WeakPolarHBondContact O-CD2 3.23Å; D219-F222 PolarHBondContact O-N 2.86Å
220P46Very low49.3Very low114 Ų114103.7 Ų103.774%0.7456%0.555SS**THydrogen-bonded Turntrans-61.6-7.9-176.921.2-31000114.7Y218Y218-P220 WeakPolarHBondContact O-CD 3.26Å
221D52.4Low48.4Very low87 Ų87101.8 Ų101.847%0.46554%0.537SS..THydrogen-bonded Turntrans-92.516.8-179.4-77.3-25.8000115.5D219 N223 Q224D219-D221 PolarHBondContact O-N 3.07Å; D219-D221 PolarHBondContact OD1-N 3.4Å; D221-N223 VanDerWaalsContact C-N 3.26Å; D221-N223 PolarHBondContact O-N 3.16Å; D221-Q224 WeakPolarHBondContact O-CB 3.45Å; D221-Q224 PolarHBondContact O-N 2.86Å; D221-Q224 PolarHBondContact OD1-NE2 3.15Å
222F51.5Low47.7Very low94 Ų94101.4 Ų101.441%0.41254%0.541SS..G310 helixtrans-60.2-28.5178.1-105.3-88.1000115L165 D219 Q224 L225L165-F222 HydrophobicContact CD1-CD1 3.86Å; L165-F222 HydrophobicContact CD1-CE1 3.36Å; L165-F222 HydrophobicContact CD1-CZ 3.8Å; D219-F222 HydrophobicContact CB-CD2 4.38Å; D219-F222 HydrophobicContact CB-CE2 4.48Å; D219-F222 WeakPolarHBondContact O-CD2 3.23Å; D219-F222 PolarHBondContact O-N 2.86Å; F222-Q224 PolarHBondContact O-N 2.63Å; F222-L225 HydrophobicContact CD1-CD1 3.3Å; F222-L225 HydrophobicContact CD1-CG 4.41Å; F222-L225 HydrophobicContact CE1-CD1 3.48Å; F222-L225 VanDerWaalsContact CE1-CD1 3.48Å; F222-L225 HydrophobicContact CG-CD1 4.09Å; F222-L225 HydrophobicContact CZ-CD1 4.41Å; F222-L225 WeakPolarHBondContact O-CG 3.27Å; F222-L225 PolarHBondContact O-N 3.44Å
223N51.1Low47.4Very low149 Ų149100 Ų10080%0.79753%0.531SS*.G310 helixtrans-72.7-4.6175.5-79.6-39.4000113.7D221D221-N223 VanDerWaalsContact C-N 3.26Å; D221-N223 PolarHBondContact O-N 3.16Å
224Q52.3Low46.8Very low137 Ų137100.5 Ų100.564%0.6454%0.539SS*.G310 helixtrans-102.87.4178.1-54.2-175.130.700112.8D221 F222 D226D221-Q224 WeakPolarHBondContact O-CB 3.45Å; D221-Q224 PolarHBondContact O-N 2.86Å; D221-Q224 PolarHBondContact OD1-NE2 3.15Å; F222-Q224 PolarHBondContact O-N 2.63Å; Q224-D226 PolarHBondContact O-N 3.08Å
225L47.5Very low46.2Very low61 Ų61103.5 Ų103.532%0.31955%0.55SS.*  trans-74.5118.2178.6-66.8175.5000111.8F222F222-L225 HydrophobicContact CD1-CD1 3.3Å; F222-L225 HydrophobicContact CD1-CG 4.41Å; F222-L225 HydrophobicContact CE1-CD1 3.48Å; F222-L225 VanDerWaalsContact CE1-CD1 3.48Å; F222-L225 HydrophobicContact CG-CD1 4.09Å; F222-L225 HydrophobicContact CZ-CD1 4.41Å; F222-L225 WeakPolarHBondContact O-CG 3.27Å; F222-L225 PolarHBondContact O-N 3.44Å
226D45.8Very low46.7Very low131 Ų13199.6 Ų99.670%0.70153%0.531SS*.  trans-109.9149.9174.2-75.9-33.2000112.2Q224 T229Q224-D226 PolarHBondContact O-N 3.08Å; D226-T229 PolarHBondContact O-OG1 3.19Å
227G49.8Very low47.4Very low51 Ų5195.9 Ų95.953%0.52652%0.52SS..SBendtrans88.2-146.9176.300000114.8T229 R230G227-T229 PolarHBondContact O-N 3.27Å; G227-R230 PolarHBondContact O-N 2.91Å
228P38.2Very low48.4Very low111 Ų11190.7 Ų90.772%0.72148%0.484SS*.THydrogen-bonded Turntrans-65-5.6-174.225-32.2000114.7I231P228-I231 HydrophobicContact CB-CD1 4.23Å; P228-I231 WeakPolarHBondContact O-CD1 3.38Å; P228-I231 WeakPolarHBondContact O-CG1 3.49Å
229T40.8Very low49.3Very low72 Ų7284.6 Ų84.644%0.44247%0.465SS..THydrogen-bonded Turntrans-81.6-14.8170.525.60000113.3S168 D226 G227S168-T229 PolarHBondContact OG-O 2.9Å; D226-T229 PolarHBondContact O-OG1 3.19Å; G227-T229 PolarHBondContact O-N 3.27Å
230R48.5Very low50.3Low157 Ų15784.1 Ų84.159%0.59246%0.463SS*.SBendtrans-102.941.5174.1-163.8-174.3173.8135.31111.9G227 I232G227-R230 PolarHBondContact O-N 2.91Å; R230-I232 PolarHBondContact O-N 2.66Å
231I46.4Very low51.1Low48 Ų4886 Ų8625%0.24647%0.466CS..  trans-69.1112.7-176.7-77.4172.1000110.4R171 P228 V233R171-I231 VanDerWaalsContact CZ-CD1 3.44Å; P228-I231 HydrophobicContact CB-CD1 4.23Å; P228-I231 WeakPolarHBondContact O-CD1 3.38Å; P228-I231 WeakPolarHBondContact O-CG1 3.49Å; I231-V233 PolarHBondContact O-N 2.82Å
232I47.5Very low51.9Low139 Ų13986.5 Ų86.571%0.71348%0.476SS*.  trans-75.2108.4171.3-58.3176.9000106.7R230R230-I232 PolarHBondContact O-N 2.66Å
233V48.7Very low52.6Low9 Ų984.2 Ų84.26%0.05547%0.472CS..PPolyproline II helixtrans-60.7131.4172.4158.70000109.6Y167 V177 C179 I231 F235Y167-V233 HydrophobicContact CD1-CB 4.44Å; Y167-V233 HydrophobicContact CD1-CG2 4.2Å; Y167-V233 HydrophobicContact CD2-CB 3.73Å; Y167-V233 HydrophobicContact CD2-CG2 3.88Å; Y167-V233 HydrophobicContact CE2-CB 4.11Å; Y167-V233 HydrophobicContact CG-CB 3.92Å; Y167-V233 HydrophobicContact CG-CG2 3.61Å; V177-V233 HydrophobicContact CB-CG2 4.25Å; V177-V233 HydrophobicContact CG1-CG1 4.5Å; V177-V233 HydrophobicContact CG1-CG2 4.05Å; V177-V233 WeakPolarHBondContact O-CG1 3.3Å; C179-V233 HydrophobicContact CB-CG1 4.04Å; C179-V233 VanDerWaalsContact N-CG1 3.33Å; I231-V233 PolarHBondContact O-N 2.82Å; V233-F235 PolarHBondContact O-N 3.41Å
234P45.3Very low53.5Low77 Ų7780.8 Ų80.850%0.545%0.448SS..PPolyproline II helixtrans-57.6134.5177.3-13.921.6000110.8L178 C179L178-P234 HydrophobicContact CD2-CB 3.66Å; L178-P234 HydrophobicContact CD2-CG 3.56Å; C179-P234 PolarHBondContact N-O 3.19Å; C179-P234 VanDerWaalsContact N-O 3.16Å
235F41.8Very low54.4Low103 Ų10377.5 Ų77.545%0.45244%0.435SS..EExtended strand (participates in β ladder)trans-93.6124.1176179.6-101.8000109.9C179 K181 V233 T237C179-F235 HydrophobicContact CB-CD2 4.34Å; K181-F235 HydrophobicContact CB-CE2 4.18Å; K181-F235 HydrophobicContact CB-CZ 4.12Å; V233-F235 PolarHBondContact O-N 3.41Å; F235-T237 HydrophobicContact CD1-CG2 4.3Å; F235-T237 HydrophobicContact CE1-CG2 3.45Å; F235-T237 VanDerWaalsContact CE1-CG2 3.45Å; F235-T237 HydrophobicContact CZ-CG2 4.01Å
236V58.9Low55.1Low34 Ų3475.2 Ų75.221%0.20642%0.424CS..EExtended strand (participates in β ladder)trans-119.6123.4179.9-177.20000108.8E35 F36 L178 C179 A180 K181E35-V236 HydrophobicContact CG-CG1 4.18Å; F36-V236 HydrophobicContact CZ-CB 4.23Å; F36-V236 HydrophobicContact CZ-CG1 4.11Å; L178-V236 HydrophobicContact CD1-CG2 4.48Å; L178-V236 HydrophobicContact CD2-CG2 4.46Å; C179-V236 PolarHBondContact O-N 3.47Å; A180-V236 WeakPolarHBondContact CA-O 3.48Å; K181-V236 PolarHBondContact N-O 3.32Å
237T57Low56.2Low92 Ų9272.1 Ų72.156%0.56441%0.408SS*.EExtended strand (participates in β ladder)trans-86121.2168.956.60000109.2F235F235-T237 HydrophobicContact CD1-CG2 4.3Å; F235-T237 HydrophobicContact CE1-CG2 3.45Å; F235-T237 VanDerWaalsContact CE1-CG2 3.45Å; F235-T237 HydrophobicContact CZ-CG2 4.01Å
238C60.5Low57.1Low1 Ų177.6 Ų77.61%0.00741%0.412CS..EExtended strand (participates in β ladder)trans-98.4134.4-175.7-51.40000111.5E35 F36 A180 R183E35-C238 HydrophobicContact CB-CB 4.07Å; E35-C238 HydrophobicContact CG-CB 4.29Å; F36-C238 WeakPolarHBondContact CE2-SG 3.14Å; A180-C238 VanDerWaalsContact CB-SG 3.59Å; R183-C238 PolarHBondContact N-O 3.35Å
239G59.9Low58.5Low18 Ų1875.9 Ų75.919%0.18640%0.403CS..SBendtrans106.6154.7174.700000115.2R183R183-G239 VanDerWaalsContact NE-C 3.28Å; R183-G239 PolarHBondContact NE-O 3.14Å; R183-G239 PolarHBondContact NH2-O 2.85Å
240D65.8Low60.2Low81 Ų8175 Ų7543%0.43339%0.392SS..  trans-70.6133.5-171.8174.516.4000113.7R183 S242 S243R183-D240 PolarHBondContact NE-O 2.85Å; R183-D240 PolarHBondContact NH1-O 2.82Å; R183-D240 PolarHBondContact NH2-O 3.37Å; D240-S242 PolarHBondContact O-N 3.46Å; D240-S242 PolarHBondContact OD1-N 2.87Å; D240-S242 PolarHBondContact OD2-OG 3.02Å; D240-S243 VanDerWaalsContact O-CB 3.29Å; D240-S243 WeakPolarHBondContact O-CB 3.11Å; D240-S243 PolarHBondContact O-N 3.09Å; D240-S243 PolarHBondContact O-OG 3.32Å; D240-S243 VanDerWaalsContact O-OG 3.07Å
241L62.7Low61.5Low155 Ų15572.2 Ų72.281%0.81239%0.394SS*.THydrogen-bonded Turntrans-47.6-27.8177.4-68.5178.2000114.7R183 S243R183-L241 VanDerWaalsContact NH1-C 3.34Å; R183-L241 PolarHBondContact NH1-O 3.49Å; R183-L241 VanDerWaalsContact NH1-O 3.15Å; R183-L241 VanDerWaalsContact NH2-N 3.16Å; L241-S243 VanDerWaalsContact C-N 3.31Å; L241-S243 PolarHBondContact O-N 3.17Å
242S70.6Confident62.6Low97 Ų9772.2 Ų72.268%0.67839%0.394SS*.THydrogen-bonded Turntrans-74.3-11.8177.274.70000115.4D240D240-S242 PolarHBondContact O-N 3.46Å; D240-S242 PolarHBondContact OD1-N 2.87Å; D240-S242 PolarHBondContact OD2-OG 3.02Å
243S66.4Low63.9Low45 Ų4570 Ų7032%0.31538%0.384SS..SBendtrans-77155.9-171.6-61.90000113.9D240 L241 D245D240-S243 VanDerWaalsContact O-CB 3.29Å; D240-S243 WeakPolarHBondContact O-CB 3.11Å; D240-S243 PolarHBondContact O-N 3.09Å; D240-S243 PolarHBondContact O-OG 3.32Å; D240-S243 VanDerWaalsContact O-OG 3.07Å; L241-S243 VanDerWaalsContact C-N 3.31Å; L241-S243 PolarHBondContact O-N 3.17Å; S243-D245 PolarHBondContact O-N 2.95Å
244Y68.7Low64.6Low78 Ų7871.8 Ų71.831%0.30639%0.393SS..PPolyproline II helixtrans-52.6127.6175.4-61.8-75.6000113.1V11 Y12 S246 Y250V11-Y244 HydrophobicContact CB-CG 4.35Å; V11-Y244 HydrophobicContact CG1-CD1 4.41Å; V11-Y244 HydrophobicContact CG1-CD2 3.7Å; V11-Y244 HydrophobicContact CG1-CE2 4.03Å; V11-Y244 HydrophobicContact CG1-CG 3.92Å; V11-Y244 HydrophobicContact CG2-CD1 4.21Å; V11-Y244 HydrophobicContact CG2-CG 4.23Å; Y12-Y244 PolarHBondContact OH-O 2.86Å; Y244-S246 PolarHBondContact O-N 3.38Å; Y244-Y250 AromaticContact CD1-CD1 3.65Å; Y244-Y250 HydrophobicContact CD1-CD1 3.65Å; Y244-Y250 HydrophobicContact CD1-CD2 4.17Å; Y244-Y250 AromaticContact CD1-CE1 3.54Å; Y244-Y250 HydrophobicContact CD1-CE1 3.54Å; Y244-Y250 HydrophobicContact CD1-CE2 4.03Å; Y244-Y250 AromaticContact CD1-CG 3.96Å; Y244-Y250 HydrophobicContact CD1-CG 3.96Å; Y244-Y250 AromaticContact CD1-CZ 3.72Å; Y244-Y250 AromaticContact CE1-CD1 3.94Å; Y244-Y250 HydrophobicContact CE1-CD1 3.94Å; Y244-Y250 HydrophobicContact CE1-CE1 4.2Å; Y244-Y250 HydrophobicContact CE1-CG 4.29Å
245D71.1Confident65.3Low67 Ų6777.3 Ų77.336%0.35841%0.412SS..PPolyproline II helixtrans-67.9120.4165.4177.5-11.3000110.4S243 D247 R248 Y250S243-D245 PolarHBondContact O-N 2.95Å; D245-D247 PolarHBondContact O-N 3.47Å; D245-D247 PolarHBondContact OD1-N 3.49Å; D245-R248 HydrophobicContact CB-CB 4.25Å; D245-R248 HydrophobicContact CB-CG 4.04Å; D245-R248 PolarHBondContact O-N 3.31Å; D245-R248 WeakPolarHBondContact OD2-CD 3.48Å; D245-R248 VanDerWaalsContact OD2-CG 3.3Å; D245-R248 WeakPolarHBondContact OD2-CG 3.48Å; D245-Y250 VanDerWaalsContact CA-OH 3.29Å; D245-Y250 WeakPolarHBondContact CA-OH 3.35Å; D245-Y250 VanDerWaalsContact CB-OH 3.23Å; D245-Y250 WeakPolarHBondContact CB-OH 3.35Å; D245-Y250 PolarHBondContact N-OH 3.44Å; D245-Y250 WeakPolarHBondContact O-CE2 3.39Å; D245-Y250 PolarHBondContact O-OH 3.19Å
246S63.7Low66.4Low13 Ų1376.3 Ų76.39%0.09143%0.431CS..THydrogen-bonded Turntrans-67.7-15.9-175.952.10000115R183 S185 R186 Y244R183-S246 VanDerWaalsContact O-CB 3.26Å; R183-S246 WeakPolarHBondContact O-CB 3.4Å; R183-S246 PolarHBondContact O-OG 3.39Å; S185-S246 WeakPolarHBondContact O-CB 3.36Å; S185-S246 PolarHBondContact O-OG 3.31Å; R186-S246 WeakPolarHBondContact CA-OG 3.45Å; Y244-S246 PolarHBondContact O-N 3.38Å
247D67.3Low66.8Low67 Ų6778 Ų7836%0.35846%0.455SS..THydrogen-bonded Turntrans-97.2-6.5178.3-71.4-3.4000112.6R186 N187 S188 D245R186-D247 WeakPolarHBondContact CA-OD1 3.11Å; R186-D247 WeakPolarHBondContact CB-OD1 3.2Å; N187-D247 VanDerWaalsContact C-OD2 3.27Å; N187-D247 VanDerWaalsContact CA-OD2 3.28Å; N187-D247 WeakPolarHBondContact CA-OD2 3.38Å; N187-D247 WeakPolarHBondContact CB-OD2 3.33Å; N187-D247 PolarHBondContact N-OD1 3.02Å; N187-D247 PolarHBondContact N-OD2 3.01Å; S188-D247 PolarHBondContact N-OD2 2.91Å; D245-D247 PolarHBondContact O-N 3.47Å; D245-D247 PolarHBondContact OD1-N 3.49Å
248R68.6Low67.5Low165 Ų16576.8 Ų76.862%0.62345%0.45SS*.SBendtrans-95.7149178.1-67-179.979.3174.63.9111.8D245 Y250D245-R248 HydrophobicContact CB-CB 4.25Å; D245-R248 HydrophobicContact CB-CG 4.04Å; D245-R248 PolarHBondContact O-N 3.31Å; D245-R248 WeakPolarHBondContact OD2-CD 3.48Å; D245-R248 VanDerWaalsContact OD2-CG 3.3Å; D245-R248 WeakPolarHBondContact OD2-CG 3.48Å; R248-Y250 HydrophobicContact CB-CE2 3.84Å; R248-Y250 WeakPolarHBondContact O-CD2 3.39Å; R248-Y250 VanDerWaalsContact O-CE2 3.24Å; R248-Y250 WeakPolarHBondContact O-CE2 3.5Å
249S69.1Low68.3Low75 Ų7585.6 Ų85.652%0.52449%0.489SS..  trans-89.7137.8168.6-61.70000109.5
250Y75.7Confident68.9Low55 Ų5587.3 Ų87.322%0.21649%0.49CS..  trans-121.5157179-60.2-91.4000110.4V11 Y244 D245 R248V11-Y250 HydrophobicContact CG2-CD2 3.16Å; V11-Y250 HydrophobicContact CG2-CE2 3.73Å; V11-Y250 HydrophobicContact CG2-CG 3.84Å; Y244-Y250 AromaticContact CD1-CD1 3.65Å; Y244-Y250 HydrophobicContact CD1-CD1 3.65Å; Y244-Y250 HydrophobicContact CD1-CD2 4.17Å; Y244-Y250 AromaticContact CD1-CE1 3.54Å; Y244-Y250 HydrophobicContact CD1-CE1 3.54Å; Y244-Y250 HydrophobicContact CD1-CE2 4.03Å; Y244-Y250 AromaticContact CD1-CG 3.96Å; Y244-Y250 HydrophobicContact CD1-CG 3.96Å; Y244-Y250 AromaticContact CD1-CZ 3.72Å; Y244-Y250 AromaticContact CE1-CD1 3.94Å; Y244-Y250 HydrophobicContact CE1-CD1 3.94Å; Y244-Y250 HydrophobicContact CE1-CE1 4.2Å; Y244-Y250 HydrophobicContact CE1-CG 4.29Å; D245-Y250 VanDerWaalsContact CA-OH 3.29Å; D245-Y250 WeakPolarHBondContact CA-OH 3.35Å; D245-Y250 VanDerWaalsContact CB-OH 3.23Å; D245-Y250 WeakPolarHBondContact CB-OH 3.35Å; D245-Y250 PolarHBondContact N-OH 3.44Å; D245-Y250 WeakPolarHBondContact O-CE2 3.39Å; D245-Y250 PolarHBondContact O-OH 3.19Å; R248-Y250 HydrophobicContact CB-CE2 3.84Å; R248-Y250 WeakPolarHBondContact O-CD2 3.39Å; R248-Y250 VanDerWaalsContact O-CE2 3.24Å; R248-Y250 WeakPolarHBondContact O-CE2 3.5Å
251P76.3Confident69.5Low98 Ų9891.5 Ų91.564%0.63650%0.504SS*.  trans-50.3151.8169.2-2635.5000112.5R14R14-P251 PolarHBondContact NH1-O 3.14Å; R14-P251 VanDerWaalsContact NH1-O 3.11Å; R14-P251 PolarHBondContact NH2-O 3.06Å
252L68.9Low70.3Confident48 Ų4890.8 Ų90.825%0.25149%0.492SS..SBendtrans-69.7-38.3178.5-75.2172.8000111.5D7 R14 Y260D7-L252 HydrophobicContact CB-CD1 4.06Å; D7-L252 HydrophobicContact CB-CD2 4.49Å; D7-L252 WeakPolarHBondContact O-CD2 3.25Å; R14-L252 PolarHBondContact NH1-O 2.72Å; L252-Y260 HydrophobicContact CB-CG 4.2Å; L252-Y260 HydrophobicContact CD1-CD1 4.42Å; L252-Y260 HydrophobicContact CD2-CD1 4.18Å; L252-Y260 HydrophobicContact CD2-CD2 4.45Å; L252-Y260 HydrophobicContact CD2-CE1 4.48Å; L252-Y260 HydrophobicContact CD2-CG 4.18Å
253D73.9Confident70.6Confident92 Ų9288.5 Ų88.549%0.49247%0.474SS..SBendtrans-78.4129.6177.1-56-39.2000109.7K259 Y260D253-K259 WeakPolarHBondContact OD1-CA 3.39Å; D253-Y260 PolarHBondContact OD1-N 2.97Å
254L63.5Low71.1Confident47 Ų4790.7 Ų90.725%0.24649%0.487CS..PPolyproline II helixtrans-83.1157.8-178.7-64.4171.3000110.7G256 G257L254-G256 PolarHBondContact O-N 3.14Å; L254-G256 VanDerWaalsContact O-N 3.16Å; L254-G257 PolarHBondContact O-N 2.7Å
255E60.5Low71.4Confident192 Ų19289.3 Ų89.390%0.89749%0.487SS*.THydrogen-bonded Turntrans-58.8119.4170.9-68.1-171.2172.400109.6
256G66Low71.8Confident82 Ų8289.3 Ų89.385%0.84549%0.49SS*.THydrogen-bonded Turntrans124-5-171.200000114.9L254 S258L254-G256 PolarHBondContact O-N 3.14Å; L254-G256 VanDerWaalsContact O-N 3.16Å; G256-S258 PolarHBondContact O-N 3.36Å
257G66.9Low72.5Confident70 Ų7092.2 Ų92.272%0.72250%0.502SS*.SBendtrans81.510.6171.200000115.2L254L254-G257 PolarHBondContact O-N 2.7Å
258S70.9Confident72.7Confident66 Ų6692.6 Ų92.646%0.46251%0.508SS..PPolyproline II helixtrans-75.2122.9173.248.20000110.8G256G256-S258 PolarHBondContact O-N 3.36Å
259K77.6Confident72.9Confident186 Ų18687.5 Ų87.581%0.80950%0.496SS*.PPolyproline II helixtrans-72.1134.8175.7-79.3-175.4174.4179.50111.1D253 K261D253-K259 WeakPolarHBondContact OD1-CA 3.39Å; K259-K261 PolarHBondContact O-N 2.74Å
260Y72.4Confident73.5Confident54 Ų5488.5 Ų88.521%0.21250%0.495CS..PPolyproline II helixtrans-56.3129.9175.7175.4-106.1000112.3R9 R14 L252 D253R9-Y260 PolarHBondContact NH1-OH 2.9Å; R9-Y260 PolarHBondContact NH2-OH 3.43Å; R14-Y260 HydrophobicContact CG-CE2 4.37Å; L252-Y260 HydrophobicContact CB-CG 4.2Å; L252-Y260 HydrophobicContact CD1-CD1 4.42Å; L252-Y260 HydrophobicContact CD2-CD1 4.18Å; L252-Y260 HydrophobicContact CD2-CD2 4.45Å; L252-Y260 HydrophobicContact CD2-CE1 4.48Å; L252-Y260 HydrophobicContact CD2-CG 4.18Å; D253-Y260 PolarHBondContact OD1-N 2.97Å
261K79.2Confident73.6Confident169 Ų16989.4 Ų89.474%0.73551%0.509SS*.  trans-122.4124.2173.1-174.8177.8178.3-178.80109.7K259 T263K259-K261 PolarHBondContact O-N 2.74Å; K261-T263 PolarHBondContact O-N 3.27Å
262Y79.1Confident73.6Confident141 Ų14185.6 Ų85.655%0.55349%0.485SS*.  trans-63.7126.2175.3176.5-96.7000111.1
263T76.8Confident73.6Confident49 Ų4987.4 Ų87.430%0.30150%0.499SS..  trans-117.5130.8172.546.30000109.7K17 K261K17-T263 VanDerWaalsContact CB-OG1 3.3Å; K17-T263 WeakPolarHBondContact CB-OG1 3.23Å; K261-T263 PolarHBondContact O-N 3.27Å
264P77.4Confident73.8Confident90 Ų9089.4 Ų89.458%0.58450%0.501SS*.  trans-63.6158.317628.2-34.3000111.3T266P264-T266 PolarHBondContact O-N 3.36Å
265P74.3Confident74.7Confident49 Ų4991.6 Ų91.632%0.31851%0.51SS..  trans-52.2131.1171.9-26.735.5000112.8Q267P265-Q267 PolarHBondContact O-N 2.94Å; P265-Q267 VanDerWaalsContact O-N 3.14Å
266T79.8Confident75.8Confident68 Ų6889.2 Ų89.242%0.41750%0.499SS..SBendtrans-50.5-40.3175.4-41.30000111.9G20 W21 P264G20-T266 WeakPolarHBondContact O-CG2 3.26Å; G20-T266 PolarHBondContact O-OG1 3.08Å; W21-T266 PolarHBondContact O-OG1 3.26Å; P264-T266 PolarHBondContact O-N 3.36Å
267Q78.1Confident76.6Confident73 Ų7387.4 Ų87.434%0.34148%0.476SS..SBendtrans-152.1123.9171.4-176.3624100109.3R22 A80 P265R22-Q267 HydrophobicContact CG-CB 4.19Å; A80-Q267 HydrophobicContact CB-CG 3.61Å; P265-Q267 PolarHBondContact O-N 2.94Å; P265-Q267 VanDerWaalsContact O-N 3.14Å
268P71.7Confident77.1Confident75 Ų7586.9 Ų86.949%0.48746%0.461SS..  trans-73.2154.316830.2-33.5000111I270P268-I270 PolarHBondContact O-N 3.19Å
269P72.4Confident77.9Confident58 Ų5886.4 Ų86.438%0.37746%0.455SS..  trans-53.1136.7170.3-22.332.3000110.6P272P269-P272 HydrophobicContact CB-CB 4.01Å; P269-P272 HydrophobicContact CG-CB 4.36Å
270I82Confident78.3Confident97 Ų9780.1 Ų80.150%0.49743%0.43SS..SBendtrans-67.8-42.8179.2-61.7176.5000109.9A80 P268A80-I270 HydrophobicContact CB-CD1 4.26Å; P268-I270 PolarHBondContact O-N 3.19Å
271S77.8Confident78.8Confident73 Ų7385 Ų8551%0.5145%0.452SS..SBendtrans-131.285175.6-173.10000109.3
272P76.4Confident79.1Confident19 Ų1986 Ų8612%0.12346%0.457CS..  trans-68.1142.1-178.821.8-25.7000111P269 Y274 Q275P269-P272 HydrophobicContact CB-CB 4.01Å; P269-P272 HydrophobicContact CG-CB 4.36Å; P272-Y274 HydrophobicContact CB-CD1 3.94Å; P272-Y274 HydrophobicContact CB-CD2 4.01Å; P272-Y274 HydrophobicContact CB-CE1 3.51Å; P272-Y274 HydrophobicContact CB-CE2 3.58Å; P272-Y274 HydrophobicContact CB-CG 4.18Å; P272-Y274 HydrophobicContact CG-CD2 4.28Å; P272-Y274 HydrophobicContact CG-CE2 3.78Å; P272-Y274 PolarHBondContact O-N 2.67Å; P272-Q275 HydrophobicContact CG-CB 4.05Å; P272-Q275 WeakPolarHBondContact O-CB 3.14Å; P272-Q275 PolarHBondContact O-N 3.18Å
273P69.9Low79.6Confident86 Ų8686.1 Ų86.156%0.55846%0.46SS*.THydrogen-bonded Turntrans-57.3-28.7-179.71.3-5.9000113Q275P273-Q275 VanDerWaalsContact C-N 3.3Å; P273-Q275 PolarHBondContact O-N 3.24Å
274Y78.3Confident79.9Confident133 Ų13386.9 Ų86.952%0.52248%0.478SS..THydrogen-bonded Turntrans-83.55.3176.856.7-99.7000114.5P272 E276 A277 C278P272-Y274 HydrophobicContact CB-CD1 3.94Å; P272-Y274 HydrophobicContact CB-CD2 4.01Å; P272-Y274 HydrophobicContact CB-CE1 3.51Å; P272-Y274 HydrophobicContact CB-CE2 3.58Å; P272-Y274 HydrophobicContact CB-CG 4.18Å; P272-Y274 HydrophobicContact CG-CD2 4.28Å; P272-Y274 HydrophobicContact CG-CE2 3.78Å; P272-Y274 PolarHBondContact O-N 2.67Å; Y274-E276 VanDerWaalsContact C-N 3.34Å; Y274-E276 PolarHBondContact O-N 2.81Å; Y274-A277 PolarHBondContact O-N 3.3Å; Y274-C278 WeakPolarHBondContact O-CB 3.4Å; Y274-C278 PolarHBondContact O-N 3.33Å
275Q82.1Confident80.2Confident93 Ų9388.5 Ų88.544%0.43548%0.477SS..Hα-helixtrans-60.1-44.1-178.1-177.2171.6-5.400111.7P272 P273 C278 T279P272-Q275 HydrophobicContact CG-CB 4.05Å; P272-Q275 WeakPolarHBondContact O-CB 3.14Å; P272-Q275 PolarHBondContact O-N 3.18Å; P273-Q275 VanDerWaalsContact C-N 3.3Å; P273-Q275 PolarHBondContact O-N 3.24Å; Q275-C278 PolarHBondContact O-N 3.41Å; Q275-T279 WeakPolarHBondContact O-CB 3.37Å; Q275-T279 PolarHBondContact O-N 3.22Å; Q275-T279 PolarHBondContact O-OG1 3.44Å
276E83.8Confident80.4Confident142 Ų14289.9 Ų89.966%0.66448%0.482SS*.Hα-helixtrans-63.4-49.7178.2-173.2175.9-17500110.9Y274 C278 T279 L280Y274-E276 VanDerWaalsContact C-N 3.34Å; Y274-E276 PolarHBondContact O-N 2.81Å; E276-C278 VanDerWaalsContact C-N 3.31Å; E276-C278 PolarHBondContact O-N 2.84Å; E276-T279 CarbonylContact O-C 3.39Å; E276-T279 WeakPolarHBondContact O-CA 3.5Å; E276-T279 WeakPolarHBondContact O-CB 3.25Å; E276-T279 PolarHBondContact O-N 3.43Å; E276-L280 HydrophobicContact CG-CD1 4.05Å; E276-L280 HydrophobicContact CG-CG 4.31Å; E276-L280 WeakPolarHBondContact O-CG 3.38Å; E276-L280 PolarHBondContact O-N 2.9Å
277A81Confident80Confident44 Ų4491.2 Ų91.236%0.36450%0.5SS..Hα-helixtrans-56.8-43175.800000112.4Y274 T279 K281 L286Y274-A277 PolarHBondContact O-N 3.3Å; A277-T279 VanDerWaalsContact C-N 3.3Å; A277-T279 PolarHBondContact O-N 3.39Å; A277-K281 VanDerWaalsContact O-CB 3.25Å; A277-K281 WeakPolarHBondContact O-CB 3.41Å; A277-K281 PolarHBondContact O-N 3.44Å; A277-L286 HydrophobicContact CB-CD1 4.31Å; A277-L286 WeakPolarHBondContact O-CD1 3.39Å
278C78.9Confident79.6Confident60 Ų6096.9 Ų96.941%0.40552%0.523SS..Hα-helixtrans-62.2-37.1173.7-81.60000112.5Y274 Q275 E276 K282Y274-C278 WeakPolarHBondContact O-CB 3.4Å; Y274-C278 PolarHBondContact O-N 3.33Å; Q275-C278 PolarHBondContact O-N 3.41Å; E276-C278 VanDerWaalsContact C-N 3.31Å; E276-C278 PolarHBondContact O-N 2.84Å; C278-K282 WeakPolarHBondContact O-CG 3.37Å; C278-K282 PolarHBondContact O-N 3.04Å
279T86.8Confident79.1Confident56 Ų56101.9 Ų101.934%0.34454%0.54SS..Hα-helixtrans-71-47179.1-52.50000111Q275 E276 A277 K281 K282 K283Q275-T279 WeakPolarHBondContact O-CB 3.37Å; Q275-T279 PolarHBondContact O-N 3.22Å; Q275-T279 PolarHBondContact O-OG1 3.44Å; E276-T279 CarbonylContact O-C 3.39Å; E276-T279 WeakPolarHBondContact O-CA 3.5Å; E276-T279 WeakPolarHBondContact O-CB 3.25Å; E276-T279 PolarHBondContact O-N 3.43Å; A277-T279 VanDerWaalsContact C-N 3.3Å; A277-T279 PolarHBondContact O-N 3.39Å; T279-K281 VanDerWaalsContact C-N 3.29Å; T279-K281 PolarHBondContact O-N 3.42Å; T279-K282 PolarHBondContact O-N 2.94Å; T279-K283 HydrophobicContact CG2-CD 4.29Å; T279-K283 WeakPolarHBondContact O-CG 3.45Å; T279-K283 PolarHBondContact O-N 3.02Å
280L86.1Confident78.4Confident54 Ų54105 Ų10528%0.28355%0.552SS.*Hα-helixtrans-58.7-41.8173.7-68.7173.1000111E276 K283 G284 Q285 L286E276-L280 HydrophobicContact CG-CD1 4.05Å; E276-L280 HydrophobicContact CG-CG 4.31Å; E276-L280 WeakPolarHBondContact O-CG 3.38Å; E276-L280 PolarHBondContact O-N 2.9Å; L280-K283 CarbonylContact O-C 3.58Å; L280-K283 PolarHBondContact O-N 3.38Å; L280-G284 PolarHBondContact O-N 3.32Å; L280-Q285 HydrophobicContact CB-CB 4.38Å; L280-Q285 HydrophobicContact CD2-CB 3.86Å; L280-Q285 PolarHBondContact O-N 2.88Å; L280-L286 HydrophobicContact CB-CD1 3.67Å; L280-L286 HydrophobicContact CD1-CD1 4.27Å; L280-L286 PolarHBondContact O-N 3.34Å
281K83.9Confident77.2Confident155 Ų155107.8 Ų107.867%0.67456%0.557SS**Hα-helixtrans-62.1-44.3174.8-173.1174.8-177.7171.90112.5A277 T279 K283 G284 L286A277-K281 VanDerWaalsContact O-CB 3.25Å; A277-K281 WeakPolarHBondContact O-CB 3.41Å; A277-K281 PolarHBondContact O-N 3.44Å; T279-K281 VanDerWaalsContact C-N 3.29Å; T279-K281 PolarHBondContact O-N 3.42Å; K281-K283 VanDerWaalsContact C-N 3.3Å; K281-K283 PolarHBondContact O-N 2.8Å; K281-G284 PolarHBondContact O-N 2.94Å; K281-L286 HydrophobicContact CB-CB 4.41Å; K281-L286 HydrophobicContact CB-CD2 4.45Å
282K85.7Confident76.2Confident191 Ų191110 Ų11083%0.8357%0.569SS**Hα-helixtrans-63.9-34.8175.5-75.8179-177.6-179.80112.5C278 T279 G284C278-K282 WeakPolarHBondContact O-CG 3.37Å; C278-K282 PolarHBondContact O-N 3.04Å; T279-K282 PolarHBondContact O-N 2.94Å; K282-G284 VanDerWaalsContact C-N 3.28Å
283K89.2Confident75.4Confident143 Ų143117.2 Ų117.262%0.62260%0.601SS**THydrogen-bonded Turntrans-81.5-1.6177-68.3179.3179.4-179.70113.7T279 L280 K281 Q285T279-K283 HydrophobicContact CG2-CD 4.29Å; T279-K283 WeakPolarHBondContact O-CG 3.45Å; T279-K283 PolarHBondContact O-N 3.02Å; L280-K283 CarbonylContact O-C 3.58Å; L280-K283 PolarHBondContact O-N 3.38Å; K281-K283 VanDerWaalsContact C-N 3.3Å; K281-K283 PolarHBondContact O-N 2.8Å; K283-Q285 HydrophobicContact CB-CB 4.45Å; K283-Q285 HydrophobicContact CB-CG 3.95Å; K283-Q285 PolarHBondContact O-N 2.7Å
284G83.4Confident74.7Confident66 Ų66117.6 Ų117.668%0.6860%0.599SS**THydrogen-bonded Turntrans67.817.3-175.800000114.3L280 K281 K282L280-G284 PolarHBondContact O-N 3.32Å; K281-G284 PolarHBondContact O-N 2.94Å; K282-G284 VanDerWaalsContact C-N 3.28Å
285Q82.4Confident73.2Confident123 Ų123114.2 Ų114.258%0.57559%0.594SS**  trans-96.4-4.4-176.2-67.7175.9-40.400113.2L280 K283L280-Q285 HydrophobicContact CB-CB 4.38Å; L280-Q285 HydrophobicContact CD2-CB 3.86Å; L280-Q285 PolarHBondContact O-N 2.88Å; K283-Q285 HydrophobicContact CB-CB 4.45Å; K283-Q285 HydrophobicContact CB-CG 3.95Å; K283-Q285 PolarHBondContact O-N 2.7Å
286L78.1Confident71.7Confident79 Ų79115.9 Ų115.941%0.41461%0.612SS.*SBendtrans-73.3131.4173.5-145.385.7000109.1A277 L280 K281 K288A277-L286 HydrophobicContact CB-CD1 4.31Å; A277-L286 WeakPolarHBondContact O-CD1 3.39Å; L280-L286 HydrophobicContact CB-CD1 3.67Å; L280-L286 HydrophobicContact CD1-CD1 4.27Å; L280-L286 PolarHBondContact O-N 3.34Å; K281-L286 HydrophobicContact CB-CB 4.41Å; K281-L286 HydrophobicContact CB-CD2 4.45Å; L286-K288 PolarHBondContact O-N 3.18Å
287A72.9Confident70.3Confident96 Ų96116.3 Ų116.379%0.79362%0.618SS**PPolyproline II helixtrans-50.7127.3174.800000109.8
288K70Confident68.9Low191 Ų191119.4 Ų119.483%0.8364%0.637SS**PPolyproline II helixtrans-72.5136.5174.2-68.7179.2-177.2172.80107.7L286 I290L286-K288 PolarHBondContact O-N 3.18Å; K288-I290 PolarHBondContact O-N 3.05Å
289E59.5Low67.2Low180 Ų180127.4 Ų127.484%0.84166%0.659SS**  trans-53.5115.4171.4-156.9172.2-152.200108R291E289-R291 PolarHBondContact O-N 3.22Å
290I58.1Low65Low124 Ų124130.6 Ų130.664%0.63668%0.678SS**  trans-68.5106.7175.5-59.3172.7000105K288K288-I290 PolarHBondContact O-N 3.05Å
291R57.1Low62.7Low155 Ų155134.8 Ų134.859%0.58570%0.7SS**  trans-64.3144.9172.6-67.2-178.7-90.4-159.9-12.8107.2E289 Q293 D294E289-R291 PolarHBondContact O-N 3.22Å; R291-Q293 HydrophobicContact CB-CG 4.31Å; R291-Q293 PolarHBondContact O-N 3.2Å; R291-D294 HydrophobicContact CB-CB 4.48Å; R291-D294 WeakPolarHBondContact CB-OD2 3.47Å; R291-D294 IonicContact CZ-OD2 3.92Å; R291-D294 IonicContact NE-OD2 3.12Å; R291-D294 PolarHBondContact NE-OD2 3.38Å; R291-D294 VanDerWaalsContact NE-OD2 3.12Å; R291-D294 IonicContact NH2-OD2 3.96Å; R291-D294 PolarHBondContact O-N 3.46Å
292P56.3Low60.6Low119 Ų119133.4 Ų133.477%0.77371%0.705SS**THydrogen-bonded Turntrans-53.1-22.4177.5-26.233.1000113.9
293Q59.2Low58.4Low172 Ų172131.9 Ų131.980%0.80471%0.705SS**THydrogen-bonded Turntrans-83.1-19.2-179.8-16.2-174.712.900113.1R291R291-Q293 HydrophobicContact CB-CG 4.31Å; R291-Q293 PolarHBondContact O-N 3.2Å
294D55.6Low56.1Low94 Ų94130.8 Ų130.850%0.50371%0.713SS.*SBendtrans-97.93.7-179.1-63.2-35.3000111.5R291 P296R291-D294 HydrophobicContact CB-CB 4.48Å; R291-D294 WeakPolarHBondContact CB-OD2 3.47Å; R291-D294 IonicContact CZ-OD2 3.92Å; R291-D294 IonicContact NE-OD2 3.12Å; R291-D294 PolarHBondContact NE-OD2 3.38Å; R291-D294 VanDerWaalsContact NE-OD2 3.12Å; R291-D294 IonicContact NH2-OD2 3.96Å; R291-D294 PolarHBondContact O-N 3.46Å; D294-P296 WeakPolarHBondContact O-CD 3.35Å
295C47.8Very low54.4Low62 Ų62136.3 Ų136.342%0.41972%0.721SS.*  trans-73.6118.3171.6-77.70000110I297C295-I297 HydrophobicContact CB-CG1 4.28Å; C295-I297 PolarHBondContact O-N 3.41Å
296P50.4Low52.3Low127 Ų127136.3 Ų136.383%0.82573%0.732SS**  trans-76.376.8170.232.1-31000108.6D294 S298D294-P296 WeakPolarHBondContact O-CD 3.35Å; P296-S298 PolarHBondContact O-N 2.82Å
297I53.3Low50.4Low151 Ų151140.8 Ų140.877%0.77476%0.755SS**  trans-76.384.4162.6-58.2175.3000106.1C295C295-I297 HydrophobicContact CB-CG1 4.28Å; C295-I297 PolarHBondContact O-N 3.41Å
298S51.6Low48.7Very low110 Ų110142.9 Ų142.977%0.76976%0.758SS**  trans-142.369.9163.5-1530000108.8P296P296-S298 PolarHBondContact O-N 2.82Å
299R44.1Very low47.2Very low227 Ų227138 Ų13886%0.85775%0.753SS**  trans179.2102.8144-98.9170.7-170.7-161.32.4107D301R299-D301 VanDerWaalsContact C-N 3.29Å; R299-D301 PolarHBondContact O-N 3.05Å
300V39.7Very low46Very low124 Ų124134.8 Ų134.875%0.75275%0.75SS**  trans-65.798.6159178.90000104.9T302V300-T302 VanDerWaalsContact C-N 3.32Å; V300-T302 PolarHBondContact O-N 3.26Å
301D39.1Very low44.9Very low141 Ų141137 Ų13775%0.75476%0.758SS**  trans-63.4106.5155.8-81.7-28.9000105.5R299 L303R299-D301 VanDerWaalsContact C-N 3.29Å; R299-D301 PolarHBondContact O-N 3.05Å; D301-L303 VanDerWaalsContact C-N 3.28Å; D301-L303 PolarHBondContact O-N 2.94Å
302T38.9Very low43.8Very low127 Ų127141.3 Ų141.378%0.77978%0.775SS**  trans-5695168.136.70000108.2V300V300-T302 VanDerWaalsContact C-N 3.32Å; V300-T302 PolarHBondContact O-N 3.26Å
303L39.1Very low42.7Very low158 Ų158144 Ų14483%0.82778%0.777SS**  trans-56.8133.8160.6-78.9159.1000107.6D301 Q305D301-L303 VanDerWaalsContact C-N 3.28Å; D301-L303 PolarHBondContact O-N 2.94Å; L303-Q305 PolarHBondContact O-N 3.19Å
304P42.1Very low41.4Very low121 Ų121140.8 Ų140.879%0.78677%0.773SS**  trans-57.8140.3172.31.24.9000109.3
305Q46.6Very low40.3Very low182 Ų182144.7 Ų144.785%0.8579%0.792SS**  trans-42.9149.3-175.5-74.7177.4-27.100114.1L303 L307L303-Q305 PolarHBondContact O-N 3.19Å; Q305-L307 PolarHBondContact O-N 3.36Å
306P38.1Very low39.6Very low123 Ų123149.4 Ų149.480%0.79981%0.813SS**PPolyproline II helixtrans-63.9131.5177.223.7-27.6000110.6V308P306-V308 PolarHBondContact O-N 3.33Å
307L39Very low38.8Very low173 Ų173147.4 Ų147.491%0.90681%0.807SS**PPolyproline II helixtrans-53.5128.5168-77.3161.7000109.3Q305 A309Q305-L307 PolarHBondContact O-N 3.36Å; L307-A309 PolarHBondContact O-N 2.87Å
308V37.8Very low37.9Very low139 Ų139146.2 Ų146.284%0.84281%0.809SS**PPolyproline II helixtrans-49.6126.9177.5-178.70000109.9P306 S310P306-V308 PolarHBondContact O-N 3.33Å; V308-S310 PolarHBondContact O-N 3.12Å
309A37.1Very low37Very low89 Ų89150 Ų15074%0.73681%0.814SS**PPolyproline II helixtrans-60.6116.6174.900000110.1L307 Q311L307-A309 PolarHBondContact O-N 2.87Å; A309-Q311 PolarHBondContact O-N 2.82Å
310S34.8Very low36.4Very low112 Ų112147.9 Ų147.978%0.78382%0.816SS**PPolyproline II helixtrans-61.4130.9165.3-176.40000109V308 R312V308-S310 PolarHBondContact O-N 3.12Å; S310-R312 PolarHBondContact O-N 3.02Å
311Q35.8Very low36.1Very low172 Ų172151 Ų15180%0.80482%0.823SS**PPolyproline II helixtrans-54.2119.6-178.9-71.8174.8-23.900110.6A309 H313A309-Q311 PolarHBondContact O-N 2.82Å; Q311-H313 PolarHBondContact O-N 3.32Å
312R33.4Very low35.6Very low245 Ų245152 Ų15293%0.92583%0.828SS**  trans-70.3111.4164.2-76.4-177.3175.3-178.9-1.8107.8S310 S314S310-R312 PolarHBondContact O-N 3.02Å; R312-S314 PolarHBondContact O-N 3.46Å
313H33.6Very low35.4Very low176 Ų176153.3 Ų153.382%0.81583%0.83SS**  trans-58.6114.6161.5-89.5-91.2000108.7Q311 L315Q311-H313 PolarHBondContact O-N 3.32Å; H313-L315 PolarHBondContact O-N 2.83Å
314S31.8Very low35Very low103 Ų103154.8 Ų154.872%0.7283%0.833SS**  trans-66.8114.6164.6450000108.8R312 L316R312-S314 PolarHBondContact O-N 3.46Å; S314-L316 PolarHBondContact O-N 3.05Å
315L32.2Very low34.6Very low176 Ų176157.7 Ų157.792%0.92184%0.838SS**  trans-71.3109.9163.7-72.5167.5000107.5H313H313-L315 PolarHBondContact O-N 2.83Å
316L33Very low33.9Very low162 Ų162154.1 Ų154.185%0.84883%0.833SS**PPolyproline II helixtrans-63.8138.8170.8-79.7152.3000109.8S314S314-L316 PolarHBondContact O-N 3.05Å
317A34.3Very low33.6Very low84 Ų84154.5 Ų154.569%0.69484%0.837SS**PPolyproline II helixtrans-67.8145.816600000109.8
318P34.5Very low33.4Very low126 Ų126151.7 Ų151.782%0.81883%0.832SS**PPolyproline II helixtrans-76.4133.5175.830.9-29.8000110.2
319E32Very low33.7Very low189 Ų189154.7 Ų154.788%0.88386%0.855SS**PPolyproline II helixtrans-62.8132.5174.4-66.4175.9143.300110.3
320M32.6Very low33.5Very low183 Ų183158 Ų15890%0.90186%0.861SS**PPolyproline II helixtrans-80.2116.1163.7-76.5-161.1-63.400107.9D322M320-D322 PolarHBondContact O-N 2.85Å
321E31.9Very low33.4Very low191 Ų191160.4 Ų160.489%0.89387%0.865SS**  trans-71.9114167.2-76.5-179.4150.800109.5N323E321-N323 PolarHBondContact O-N 3.06Å
322D30.1Very low33.3Very low161 Ų161159.7 Ų159.786%0.86187%0.868SS**  trans-65.5112.7163-79.8-41.3000108.8M320M320-D322 PolarHBondContact O-N 2.85Å
323N32.7Very low33.3Very low154 Ų154154.7 Ų154.782%0.82487%0.865SS**  trans-105.7104.4167.5-150.812.9000108.6E321 M325E321-N323 PolarHBondContact O-N 3.06Å; N323-M325 PolarHBondContact O-N 2.98Å
324E32.2Very low33.3Very low190 Ų190153.4 Ų153.489%0.88887%0.868SS**  trans-57.4120.5169.2-72.7-175.7140.400109.7
325M33.8Very low33.4Very low181 Ų181156.7 Ų156.789%0.89288%0.878SS**  trans-123.4104.6160.5-153127.3107.800109.2N323N323-M325 PolarHBondContact O-N 2.98Å
326S32.3Very low33.5Very low107 Ų107155.4 Ų155.475%0.74888%0.875SS**  trans-60.4129173.652.60000112.2
327C31Very low33.5Very low131 Ų131154.8 Ų154.889%0.88588%0.877SS**  trans-137.5116.5151.6-88.40000108.2
328S33.8Very low33.4Very low114 Ų114160.8 Ų160.880%0.79789%0.892SS**  trans-107.2171.8163-53.70000108.7
329P44.6Very low33.4Very low202 Ų202163.9 Ų163.9100%1.31290%0.898SS**  -850-85.634.1-28.9000114.2

Retrieved 329 of 329 residues in 77.2 ms (Link to these results)

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