A0A024QYX5_HUMAN Loading...

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

AlphaFold DB (Q9UET6), UniProt , Accession A0A024QYX5, Species HUMAN (Homo sapiens, Human), 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
1M49Very low79.6Confident203 Ų20380 Ų80100%139%0.389SS*.  0131.60-74-176.5-138.800109.1R9M1-R9 PolarHBondContact SD-NH2 3.28Å
2G69Low80.9Confident49 Ų4973.8 Ų73.851%0.50536%0.358SS..  trans-67.5148.8178.300000112.4T4 S5G2-T4 PolarHBondContact O-N 3.21Å; G2-T4 VanDerWaalsContact O-N 3.08Å; G2-S5 WeakPolarHBondContact O-CB 3.33Å; G2-S5 PolarHBondContact O-N 3.33Å; G2-S5 PolarHBondContact O-OG 3.12Å
3R67.4Low81.9Confident192 Ų19272.2 Ų72.273%0.72535%0.346SS*.Hα-helixtrans-51.3-34.4-177.4-68.4-179.6-178.6172.80.1113.2Y262R3-Y262 HydrophobicContact CB-CD2 4.44Å; R3-Y262 HydrophobicContact CB-CE2 4.04Å
4T78Confident82.7Confident60 Ų6067.9 Ų67.937%0.36833%0.325SS..Hα-helixtrans-78-19-179.253.80000114.6G2 K6 D7 K8 L252 Y260G2-T4 PolarHBondContact O-N 3.21Å; G2-T4 VanDerWaalsContact O-N 3.08Å; T4-K6 VanDerWaalsContact C-N 3.3Å; T4-K6 PolarHBondContact O-N 3.27Å; T4-D7 PolarHBondContact O-N 2.95Å; T4-K8 PolarHBondContact O-N 2.89Å; T4-K8 VanDerWaalsContact O-N 3.12Å; T4-L252 HydrophobicContact CG2-CD1 4.25Å; T4-Y260 HydrophobicContact CG2-CE1 3.84Å
5S82.1Confident83.4Confident35 Ų3565.2 Ų65.225%0.24531%0.313CS..Hα-helixtrans-67.7-29.5-177.967.50000113.3G2 R9G2-S5 WeakPolarHBondContact O-CB 3.33Å; G2-S5 PolarHBondContact O-N 3.33Å; G2-S5 PolarHBondContact O-OG 3.12Å; S5-R9 WeakPolarHBondContact O-CG 3.09Å; S5-R9 PolarHBondContact O-N 3.26Å; S5-R9 PolarHBondContact O-NE 3.18Å
6K82.9Confident84.2Confident95 Ų9561.2 Ų61.241%0.41329%0.294SS..Hα-helixtrans-73.7-44.3175.4-170.8173.6178-178.50110.3T4 K8 R9 D10 Y13T4-K6 VanDerWaalsContact C-N 3.3Å; T4-K6 PolarHBondContact O-N 3.27Å; K6-K8 VanDerWaalsContact C-N 3.26Å; K6-K8 PolarHBondContact O-N 3.07Å; K6-R9 PolarHBondContact O-N 3.36Å; K6-D10 WeakPolarHBondContact O-CB 3.37Å; K6-D10 PolarHBondContact O-N 3.18Å; K6-Y13 HydrophobicContact CD-CD1 3.94Å; K6-Y13 HydrophobicContact CD-CE1 3.66Å; K6-Y13 HydrophobicContact CD-CE2 4.48Å; K6-Y13 HydrophobicContact CD-CG 4.45Å; K6-Y13 HydrophobicContact CG-CD1 3.92Å; K6-Y13 HydrophobicContact CG-CE1 4.03Å
7D84.2Confident84.8Confident5 Ų558.2 Ų58.23%0.02728%0.279CS..Hα-helixtrans-62.3-32.1179-71.318.4000113T4 R14 K17 L252 Y260T4-D7 PolarHBondContact O-N 2.95Å; D7-R14 HydrophobicContact CB-CB 4.14Å; D7-R14 HydrophobicContact CB-CG 4.18Å; D7-K17 WeakPolarHBondContact OD1-CE 3.41Å; D7-K17 IonicContact OD1-NZ 3.78Å; D7-K17 PolarHBondContact OD1-NZ 3.48Å; D7-K17 IonicContact OD2-NZ 3.39Å; D7-K17 PolarHBondContact OD2-NZ 3.31Å; D7-L252 HydrophobicContact CB-CD2 3.97Å; D7-Y260 HydrophobicContact CB-CE2 4.48Å; D7-Y260 PolarHBondContact OD2-OH 3.16Å
8K86Confident85.2Confident98 Ų9859.2 Ų59.243%0.42628%0.284SS..Hα-helixtrans-68.3-40171.5-73.3-174.5178.2-172.40113.3T4 K6 S249 Y250 L252T4-K8 PolarHBondContact O-N 2.89Å; T4-K8 VanDerWaalsContact O-N 3.12Å; K6-K8 VanDerWaalsContact C-N 3.26Å; K6-K8 PolarHBondContact O-N 3.07Å; K8-S249 CarbonylContact O-C 3.48Å; K8-S249 WeakPolarHBondContact O-CA 3.36Å; K8-S249 WeakPolarHBondContact O-CB 3.41Å; K8-Y250 PolarHBondContact O-N 3.31Å; K8-L252 HydrophobicContact CD-CD1 4.48Å; K8-L252 HydrophobicContact CD-CG 4.26Å; K8-L252 HydrophobicContact CG-CD1 4.21Å; K8-L252 HydrophobicContact CG-CD2 3.62Å; K8-L252 HydrophobicContact CG-CG 3.63Å
9R90Very high85.7Confident127 Ų12761.3 Ų61.348%0.47930%0.296SS..Hα-helixtrans-87.5-17-174-70.3-171.9-62.2164.11114M1 S5 K6M1-R9 PolarHBondContact SD-NH2 3.28Å; S5-R9 WeakPolarHBondContact O-CG 3.09Å; S5-R9 PolarHBondContact O-N 3.26Å; S5-R9 PolarHBondContact O-NE 3.18Å; K6-R9 PolarHBondContact O-N 3.36Å
10D93.1Very high86.2Confident14 Ų1459.6 Ų59.68%0.07530%0.296CS..  trans-137.385.3-174.4-171.1-18.2000109.6K6 Y12 Y13 R14 R24K6-D10 WeakPolarHBondContact O-CB 3.37Å; K6-D10 PolarHBondContact O-N 3.18Å; D10-Y12 VanDerWaalsContact C-N 3.31Å; D10-Y12 PolarHBondContact O-N 2.92Å; D10-Y12 PolarHBondContact OD1-N 2.91Å; D10-Y13 PolarHBondContact O-N 2.94Å; D10-Y13 VanDerWaalsContact OD1-CB 3.31Å; D10-Y13 WeakPolarHBondContact OD1-CB 3.33Å; D10-Y13 PolarHBondContact OD1-N 3.41Å; D10-Y13 WeakPolarHBondContact OD2-CB 3.41Å; D10-R14 PolarHBondContact O-N 3.1Å; D10-R24 IonicContact OD1-CZ 3.08Å; D10-R24 IonicContact OD1-NE 2.84Å; D10-R24 IonicContact OD1-NH1 3.56Å; D10-R24 PolarHBondContact OD1-NH1 3.4Å; D10-R24 IonicContact OD1-NH2 3.54Å; D10-R24 WeakPolarHBondContact OD2-CD 3.46Å; D10-R24 IonicContact OD2-CZ 2.67Å; D10-R24 IonicContact OD2-NE 2.69Å; D10-R24 IonicContact OD2-NH1 3.23Å; D10-R24 PolarHBondContact OD2-NH1 3.44Å
11V93.5Very high86.7Confident2 Ų258 Ų581%0.01229%0.286CS..Hα-helixtrans-60.7-38-179.364.20000112.2R14 L15 Y244 Y250 L254V11-R14 WeakPolarHBondContact O-CB 3.39Å; V11-R14 PolarHBondContact O-N 3.18Å; V11-L15 HydrophobicContact CG2-CD1 4.09Å; V11-L15 HydrophobicContact CG2-CG 4.34Å; V11-L15 WeakPolarHBondContact O-CB 3.22Å; V11-L15 VanDerWaalsContact O-CG 3.22Å; V11-L15 WeakPolarHBondContact O-CG 3.18Å; V11-L15 PolarHBondContact O-N 2.94Å; V11-Y244 HydrophobicContact CB-CG 4.44Å; V11-Y244 HydrophobicContact CG1-CG 4.11Å; V11-Y244 HydrophobicContact CG2-CD1 3.95Å; V11-Y244 HydrophobicContact CG2-CD2 3.62Å; V11-Y244 HydrophobicContact CG2-CE1 4.31Å; V11-Y244 HydrophobicContact CG2-CE2 3.98Å; V11-Y244 HydrophobicContact CG2-CG 3.59Å; V11-Y250 HydrophobicContact CB-CD2 3.84Å; V11-Y250 HydrophobicContact CB-CE2 4.35Å; V11-Y250 HydrophobicContact CG1-CD2 4.05Å; V11-Y250 HydrophobicContact CG1-CE2 4.06Å; V11-Y250 HydrophobicContact CG2-CD2 4.2Å; V11-L254 HydrophobicContact CG2-CD1 4.36Å
12Y95.5Very high89Confident6 Ų649.7 Ų49.72%0.02424%0.244CC..Hα-helixtrans-73.1-32.7178.5-73.1-74.3000112.8D10 L15 A16 F27 Q31 S184 Y244D10-Y12 VanDerWaalsContact C-N 3.31Å; D10-Y12 PolarHBondContact O-N 2.92Å; D10-Y12 PolarHBondContact OD1-N 2.91Å; Y12-L15 HydrophobicContact CD1-CD1 4.34Å; Y12-A16 VanDerWaalsContact O-CB 3.28Å; Y12-A16 WeakPolarHBondContact O-CB 3.3Å; Y12-A16 PolarHBondContact O-N 2.86Å; Y12-F27 HydrophobicContact CD1-CB 3.81Å; Y12-F27 HydrophobicContact CD1-CD1 4.16Å; Y12-F27 AromaticContact CD1-CD2 3.69Å; Y12-F27 HydrophobicContact CD1-CD2 3.69Å; Y12-F27 HydrophobicContact CD1-CE2 4.3Å; Y12-F27 AromaticContact CD1-CG 3.61Å; Y12-F27 HydrophobicContact CD1-CG 3.61Å; Y12-F27 HydrophobicContact CE1-CB 4.12Å; Y12-F27 HydrophobicContact CE1-CD1 4.34Å; Y12-F27 HydrophobicContact CE1-CG 4.11Å; Y12-F27 HydrophobicContact CG-CD2 4.45Å; Y12-F27 WeakPolarHBondContact O-CE2 3.42Å; Y12-Q31 PolarHBondContact OH-NE2 3.07Å; Y12-S184 VanDerWaalsContact CE2-CA 3.44Å; Y12-Y244 PolarHBondContact OH-O 2.7Å; Y12-Y244 VanDerWaalsContact OH-O 3.07Å
13Y94.5Very high90.3Very high52 Ų5248.3 Ų48.320%0.20423%0.228CC..Hα-helixtrans-64.6-41.8169.4176.5-98.1000111.7K6 D10 A16 K17K6-Y13 HydrophobicContact CD-CD1 3.94Å; K6-Y13 HydrophobicContact CD-CE1 3.66Å; K6-Y13 HydrophobicContact CD-CE2 4.48Å; K6-Y13 HydrophobicContact CD-CG 4.45Å; K6-Y13 HydrophobicContact CG-CD1 3.92Å; K6-Y13 HydrophobicContact CG-CE1 4.03Å; D10-Y13 PolarHBondContact O-N 2.94Å; D10-Y13 VanDerWaalsContact OD1-CB 3.31Å; D10-Y13 WeakPolarHBondContact OD1-CB 3.33Å; D10-Y13 PolarHBondContact OD1-N 3.41Å; D10-Y13 WeakPolarHBondContact OD2-CB 3.41Å; Y13-A16 PolarHBondContact O-N 3.13Å; Y13-K17 HydrophobicContact CD1-CD 4.46Å; Y13-K17 HydrophobicContact CE1-CD 3.86Å; Y13-K17 WeakPolarHBondContact O-CG 3.48Å; Y13-K17 PolarHBondContact O-N 3.17Å
14R92.9Very high91.7Very high13 Ų1341.1 Ų41.15%0.04920%0.201CC..Hα-helixtrans-62.4-53.9174.4179-170.7165173.5-0.2111.5D7 D10 V11 A16 K17 E18 P251 L252 L254D7-R14 HydrophobicContact CB-CB 4.14Å; D7-R14 HydrophobicContact CB-CG 4.18Å; D10-R14 PolarHBondContact O-N 3.1Å; V11-R14 WeakPolarHBondContact O-CB 3.39Å; V11-R14 PolarHBondContact O-N 3.18Å; R14-A16 PolarHBondContact O-N 3.35Å; R14-K17 PolarHBondContact O-N 3.4Å; R14-E18 HydrophobicContact CG-CG 4.47Å; R14-E18 IonicContact CZ-OE1 3.3Å; R14-E18 VanDerWaalsContact CZ-OE1 3.3Å; R14-E18 IonicContact NE-OE1 2.72Å; R14-E18 PolarHBondContact NE-OE1 3.27Å; R14-E18 IonicContact NE-OE2 3.59Å; R14-E18 IonicContact NH2-OE1 3.01Å; R14-E18 PolarHBondContact NH2-OE1 3.03Å; R14-E18 PolarHBondContact O-N 3.35Å; R14-P251 PolarHBondContact NH1-O 3.23Å; R14-L252 PolarHBondContact NH1-O 3.07Å; R14-L252 PolarHBondContact NH2-O 3.18Å; R14-L254 VanDerWaalsContact CZ-CD1 3.43Å; R14-L254 VanDerWaalsContact NH1-CG 3.3Å
15L93.4Very high92.6Very high27 Ų2739 Ų3914%0.14119%0.188CC..Hα-helixtrans-57.2-35.4178.5-72.9170.8000111.5V11 Y12 K17 E18 N19 F27 Y244V11-L15 HydrophobicContact CG2-CD1 4.09Å; V11-L15 HydrophobicContact CG2-CG 4.34Å; V11-L15 WeakPolarHBondContact O-CB 3.22Å; V11-L15 VanDerWaalsContact O-CG 3.22Å; V11-L15 WeakPolarHBondContact O-CG 3.18Å; V11-L15 PolarHBondContact O-N 2.94Å; Y12-L15 HydrophobicContact CD1-CD1 4.34Å; L15-K17 PolarHBondContact O-N 3.08Å; L15-E18 PolarHBondContact O-N 2.94Å; L15-N19 VanDerWaalsContact O-CB 3.28Å; L15-N19 WeakPolarHBondContact O-CB 3.33Å; L15-N19 PolarHBondContact O-N 2.9Å; L15-N19 PolarHBondContact O-ND2 3.15Å; L15-F27 HydrophobicContact CB-CE2 3.75Å; L15-F27 HydrophobicContact CB-CZ 3.56Å; L15-F27 HydrophobicContact CD1-CZ 4.5Å; L15-Y244 HydrophobicContact CD1-CD2 3.72Å; L15-Y244 HydrophobicContact CD1-CE2 3.85Å
16A96Very high93.4Very high1 Ų137.3 Ų37.31%0.00818%0.177CC..Hα-helixtrans-60-47.9176.300000111.1Y12 Y13 R14 E18 N19 G20 W21 F27Y12-A16 VanDerWaalsContact O-CB 3.28Å; Y12-A16 WeakPolarHBondContact O-CB 3.3Å; Y12-A16 PolarHBondContact O-N 2.86Å; Y13-A16 PolarHBondContact O-N 3.13Å; R14-A16 PolarHBondContact O-N 3.35Å; A16-E18 PolarHBondContact O-N 3.49Å; A16-N19 CarbonylContact O-C 3.59Å; A16-N19 PolarHBondContact O-N 3.35Å; A16-G20 CarbonylContact O-C 3.55Å; A16-G20 PolarHBondContact O-N 3.19Å; A16-W21 HydrophobicContact CB-CB 3.96Å; A16-W21 PolarHBondContact O-N 2.8Å; A16-F27 HydrophobicContact CB-CE2 4.1Å
17K94Very high94.1Very high10 Ų1034.4 Ų34.44%0.04316%0.164CC..Hα-helixtrans-64.2-43.1177.4-58.6-177.8-61.2155.70112D7 Y13 R14 L15 N19 G20 T263D7-K17 WeakPolarHBondContact OD1-CE 3.41Å; D7-K17 IonicContact OD1-NZ 3.78Å; D7-K17 PolarHBondContact OD1-NZ 3.48Å; D7-K17 IonicContact OD2-NZ 3.39Å; D7-K17 PolarHBondContact OD2-NZ 3.31Å; Y13-K17 HydrophobicContact CD1-CD 4.46Å; Y13-K17 HydrophobicContact CE1-CD 3.86Å; Y13-K17 WeakPolarHBondContact O-CG 3.48Å; Y13-K17 PolarHBondContact O-N 3.17Å; R14-K17 PolarHBondContact O-N 3.4Å; L15-K17 PolarHBondContact O-N 3.08Å; K17-N19 VanDerWaalsContact C-N 3.32Å; K17-N19 PolarHBondContact O-N 2.64Å; K17-G20 PolarHBondContact O-N 2.87Å; K17-T263 HydrophobicContact CB-CG2 4.26Å; K17-T263 WeakPolarHBondContact CD-O 3.48Å; K17-T263 PolarHBondContact NZ-O 2.82Å; K17-T263 WeakPolarHBondContact O-CG2 3.36Å
18E92.7Very high94.8Very high77 Ų7735.1 Ų35.136%0.3617%0.167SC..Hα-helixtrans-64.9-35179.8-70.1172.4164.100112.5R14 L15 A16R14-E18 HydrophobicContact CG-CG 4.47Å; R14-E18 IonicContact CZ-OE1 3.3Å; R14-E18 VanDerWaalsContact CZ-OE1 3.3Å; R14-E18 IonicContact NE-OE1 2.72Å; R14-E18 PolarHBondContact NE-OE1 3.27Å; R14-E18 IonicContact NE-OE2 3.59Å; R14-E18 IonicContact NH2-OE1 3.01Å; R14-E18 PolarHBondContact NH2-OE1 3.03Å; R14-E18 PolarHBondContact O-N 3.35Å; L15-E18 PolarHBondContact O-N 2.94Å; A16-E18 PolarHBondContact O-N 3.49Å
19N94.3Very high95.4Very high99 Ų9930.4 Ų30.453%0.52915%0.146SC..THydrogen-bonded Turntrans-92.84.2178-69.9-89.4000113.4L15 A16 K17 W21L15-N19 VanDerWaalsContact O-CB 3.28Å; L15-N19 WeakPolarHBondContact O-CB 3.33Å; L15-N19 PolarHBondContact O-N 2.9Å; L15-N19 PolarHBondContact O-ND2 3.15Å; A16-N19 CarbonylContact O-C 3.59Å; A16-N19 PolarHBondContact O-N 3.35Å; K17-N19 VanDerWaalsContact C-N 3.32Å; K17-N19 PolarHBondContact O-N 2.64Å; N19-W21 VanDerWaalsContact C-N 3.33Å; N19-W21 PolarHBondContact O-N 3.25Å
20G95.5Very high95.7Very high27 Ų2726.1 Ų26.128%0.27813%0.133SC..THydrogen-bonded Turntrans71.821.6178.700000115A16 K17 Q57 T266A16-G20 CarbonylContact O-C 3.55Å; A16-G20 PolarHBondContact O-N 3.19Å; K17-G20 PolarHBondContact O-N 2.87Å; G20-Q57 PolarHBondContact O-NE2 3.32Å; G20-T266 VanDerWaalsContact C-OG1 3.28Å; G20-T266 WeakPolarHBondContact CA-OG1 3.47Å; G20-T266 WeakPolarHBondContact O-CG2 3.1Å
21W97.6Very high96Very high27 Ų2726.3 Ų26.310%0.10213%0.133CC..  trans-82.3135.5171.6-60.7117.3000111.4A16 N19 A23 A26 L30 Q57 V58 T266A16-W21 HydrophobicContact CB-CB 3.96Å; A16-W21 PolarHBondContact O-N 2.8Å; N19-W21 VanDerWaalsContact C-N 3.33Å; N19-W21 PolarHBondContact O-N 3.25Å; W21-A23 PolarHBondContact O-N 3.32Å; W21-A26 HydrophobicContact CB-CB 3.83Å; W21-A26 HydrophobicContact CD2-CB 3.79Å; W21-A26 HydrophobicContact CE3-CB 4Å; W21-A26 HydrophobicContact CG-CB 3.7Å; W21-L30 HydrophobicContact CZ2-CD1 4.1Å; W21-Q57 HydrophobicContact CE3-CB 4.38Å; W21-Q57 HydrophobicContact CE3-CG 3.93Å; W21-Q57 HydrophobicContact CZ3-CB 4.3Å; W21-Q57 HydrophobicContact CZ3-CG 3.79Å; W21-V58 HydrophobicContact CE3-CG2 3.93Å; W21-V58 HydrophobicContact CH2-CG2 3.91Å; W21-V58 HydrophobicContact CZ3-CB 4.35Å; W21-V58 HydrophobicContact CZ3-CG2 3.55Å; W21-T266 PolarHBondContact O-OG1 3.18Å
22R96.9Very high96.2Very high27 Ų2726.2 Ų26.210%0.10213%0.133CC..SBendtrans-59.2-31.5179-68.2-168.3172.5-173.5-1.8114.2P52 A80 P81 L82 Q267R22-P52 HydrophobicContact CB-CG 4.43Å; R22-P52 WeakPolarHBondContact CD-O 3.41Å; R22-P52 PolarHBondContact NH1-O 3.41Å; R22-A80 PolarHBondContact NH1-O 3.37Å; R22-A80 PolarHBondContact NH2-O 2.97Å; R22-P81 PolarHBondContact NH2-O 2.93Å; R22-L82 VanDerWaalsContact NH2-CD2 3.28Å; R22-L82 VanDerWaalsContact NH2-CG 3.3Å; R22-Q267 HydrophobicContact CB-CB 4.45Å; R22-Q267 HydrophobicContact CG-CB 3.86Å
23A96.5Very high96.3Very high21 Ų2127.3 Ų27.317%0.17414%0.139CC..SBendtrans-151.2160178.400000111.7W21 S25 A26 P52W21-A23 PolarHBondContact O-N 3.32Å; A23-S25 PolarHBondContact O-N 3.18Å; A23-A26 WeakPolarHBondContact O-CB 3.35Å; A23-A26 PolarHBondContact O-N 3.29Å; A23-P52 HydrophobicContact CB-CG 4.04Å
24R96.3Very high96.5Very high41 Ų4131.8 Ų31.816%0.15516%0.159CC..THydrogen-bonded Turntrans-60.8-23.5177.270.9172.9-71.9177.71.1113.9D10 A26 F27 S184D10-R24 IonicContact OD1-CZ 3.08Å; D10-R24 IonicContact OD1-NE 2.84Å; D10-R24 IonicContact OD1-NH1 3.56Å; D10-R24 PolarHBondContact OD1-NH1 3.4Å; D10-R24 IonicContact OD1-NH2 3.54Å; D10-R24 WeakPolarHBondContact OD2-CD 3.46Å; D10-R24 IonicContact OD2-CZ 2.67Å; D10-R24 IonicContact OD2-NE 2.69Å; D10-R24 IonicContact OD2-NH1 3.23Å; D10-R24 PolarHBondContact OD2-NH1 3.44Å; R24-A26 PolarHBondContact O-N 3.13Å; R24-F27 WeakPolarHBondContact O-CD2 3.5Å; R24-F27 PolarHBondContact O-N 2.94Å; R24-S184 PolarHBondContact NH2-O 3.01Å
25S97.1Very high96.7Very high15 Ų1535.9 Ų35.911%0.10518%0.179CC..THydrogen-bonded Turntrans-64.7-17.2179.443.20000113.1A23 F27 K28 L29 S54 W55 D116A23-S25 PolarHBondContact O-N 3.18Å; S25-F27 PolarHBondContact O-N 3.23Å; S25-K28 VanDerWaalsContact O-CB 3.27Å; S25-K28 WeakPolarHBondContact O-CB 3.37Å; S25-K28 PolarHBondContact O-N 2.91Å; S25-L29 PolarHBondContact O-N 3.08Å; S25-S54 PolarHBondContact OG-OG 2.71Å; S25-W55 PolarHBondContact O-NE1 3.3Å; S25-D116 WeakPolarHBondContact CB-OD2 3.48Å
26A98.2Very high96.9Very high0 Ų035.9 Ų35.90%018%0.178CC..Hα-helixtrans-51.5-39.917000000112.1W21 A23 R24 K28 L29 L30 V58W21-A26 HydrophobicContact CB-CB 3.83Å; W21-A26 HydrophobicContact CD2-CB 3.79Å; W21-A26 HydrophobicContact CE3-CB 4Å; W21-A26 HydrophobicContact CG-CB 3.7Å; A23-A26 WeakPolarHBondContact O-CB 3.35Å; A23-A26 PolarHBondContact O-N 3.29Å; R24-A26 PolarHBondContact O-N 3.13Å; A26-K28 VanDerWaalsContact C-N 3.26Å; A26-K28 PolarHBondContact O-N 3.4Å; A26-L29 PolarHBondContact O-N 2.55Å; A26-L30 VanDerWaalsContact O-CG 3.32Å; A26-L30 WeakPolarHBondContact O-CG 3.48Å; A26-L30 PolarHBondContact O-N 3.35Å; A26-V58 HydrophobicContact CB-CG2 3.8Å
27F97.9Very high97Very high33 Ų3341.5 Ų41.515%0.14520%0.204CC..Hα-helixtrans-66.3-26.6177.6-67.1-76.2000113.5Y12 L15 A16 R24 S25 Q31Y12-F27 HydrophobicContact CD1-CB 3.81Å; Y12-F27 HydrophobicContact CD1-CD1 4.16Å; Y12-F27 AromaticContact CD1-CD2 3.69Å; Y12-F27 HydrophobicContact CD1-CD2 3.69Å; Y12-F27 HydrophobicContact CD1-CE2 4.3Å; Y12-F27 AromaticContact CD1-CG 3.61Å; Y12-F27 HydrophobicContact CD1-CG 3.61Å; Y12-F27 HydrophobicContact CE1-CB 4.12Å; Y12-F27 HydrophobicContact CE1-CD1 4.34Å; Y12-F27 HydrophobicContact CE1-CG 4.11Å; Y12-F27 HydrophobicContact CG-CD2 4.45Å; Y12-F27 WeakPolarHBondContact O-CE2 3.42Å; L15-F27 HydrophobicContact CB-CE2 3.75Å; L15-F27 HydrophobicContact CB-CZ 3.56Å; L15-F27 HydrophobicContact CD1-CZ 4.5Å; A16-F27 HydrophobicContact CB-CE2 4.1Å; R24-F27 WeakPolarHBondContact O-CD2 3.5Å; R24-F27 PolarHBondContact O-N 2.94Å; S25-F27 PolarHBondContact O-N 3.23Å; F27-Q31 VanDerWaalsContact O-CB 3.3Å; F27-Q31 WeakPolarHBondContact O-CB 3.23Å; F27-Q31 WeakPolarHBondContact O-CG 3.26Å; F27-Q31 PolarHBondContact O-N 3.24Å
28K98.2Very high97.1Very high20 Ų2041.2 Ų41.29%0.08720%0.203CC..Hα-helixtrans-64.8-52.1175.7-57.6179-169.2177.90109.7S25 A26 L30 Q31 L32 W55 D116 P182 S184 E191 F193S25-K28 VanDerWaalsContact O-CB 3.27Å; S25-K28 WeakPolarHBondContact O-CB 3.37Å; S25-K28 PolarHBondContact O-N 2.91Å; A26-K28 VanDerWaalsContact C-N 3.26Å; A26-K28 PolarHBondContact O-N 3.4Å; K28-L30 PolarHBondContact O-N 3.24Å; K28-Q31 PolarHBondContact O-N 3.47Å; K28-L32 VanDerWaalsContact O-CG 3.28Å; K28-L32 WeakPolarHBondContact O-CG 3.4Å; K28-L32 PolarHBondContact O-N 3.3Å; K28-W55 HydrophobicContact CB-CZ2 4.16Å; K28-D116 IonicContact NZ-OD1 3.87Å; K28-D116 PolarHBondContact NZ-OD1 2.83Å; K28-D116 IonicContact NZ-OD2 3.76Å; K28-P182 HydrophobicContact CB-CB 4.21Å; K28-P182 HydrophobicContact CB-CG 4.08Å; K28-P182 HydrophobicContact CG-CB 4.45Å; K28-S184 VanDerWaalsContact CA-OG 3.3Å; K28-S184 WeakPolarHBondContact CA-OG 3.25Å; K28-S184 WeakPolarHBondContact CG-OG 2.98Å; K28-S184 PolarHBondContact N-OG 3.35Å; K28-E191 WeakPolarHBondContact CE-OE1 3.3Å; K28-E191 IonicContact NZ-OE1 2.77Å; K28-E191 PolarHBondContact NZ-OE1 3.32Å; K28-E191 IonicContact NZ-OE2 2.7Å; K28-F193 HydrophobicContact CB-CE2 4.47Å; K28-F193 HydrophobicContact CB-CZ 4.41Å; K28-F193 HydrophobicContact CD-CE2 3.92Å; K28-F193 HydrophobicContact CD-CZ 3.65Å
29L98.6Very high97.3Very high0 Ų038 Ų380%019%0.188CC..Hα-helixtrans-64.2-41.6179.3-173.659000112S25 A26 Q31 L32 D33 L38 F39 W55 V58 L59 V114S25-L29 PolarHBondContact O-N 3.08Å; A26-L29 PolarHBondContact O-N 2.55Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 3.47Å; L29-L32 PolarHBondContact O-N 2.8Å; L29-D33 WeakPolarHBondContact O-CB 3.43Å; L29-D33 PolarHBondContact O-N 3.35Å; L29-L38 HydrophobicContact CD1-CD1 4.33Å; L29-F39 HydrophobicContact CD1-CE1 4.36Å; L29-F39 HydrophobicContact CD1-CZ 4.27Å; L29-F39 HydrophobicContact CD2-CE1 4.36Å; L29-F39 HydrophobicContact CD2-CZ 3.98Å; L29-F39 HydrophobicContact CG-CE1 4.35Å; L29-F39 HydrophobicContact CG-CZ 3.83Å; L29-W55 HydrophobicContact CB-CD2 3.89Å; L29-W55 HydrophobicContact CB-CG 4.07Å; L29-W55 HydrophobicContact CB-CZ2 3.95Å; L29-W55 HydrophobicContact CD1-CD2 4.36Å; L29-W55 HydrophobicContact CD1-CE3 4.22Å; L29-W55 HydrophobicContact CD1-CH2 4.31Å; L29-W55 HydrophobicContact CD1-CZ2 4.48Å; L29-W55 HydrophobicContact CD1-CZ3 4.21Å; L29-W55 HydrophobicContact CD2-CB 3.88Å; L29-W55 HydrophobicContact CD2-CD2 3.9Å; L29-W55 HydrophobicContact CD2-CE3 4.23Å; L29-W55 HydrophobicContact CD2-CG 3.78Å; L29-W55 HydrophobicContact CG-CD2 4.26Å; L29-W55 HydrophobicContact CG-CG 4.48Å; L29-V58 HydrophobicContact CD2-CB 4.07Å; L29-V58 HydrophobicContact CD2-CG1 3.88Å; L29-V58 HydrophobicContact CG-CG1 4.23Å; L29-L59 HydrophobicContact CD2-CD2 4.34Å; L29-L59 HydrophobicContact CD2-CG 4.19Å; L29-V114 HydrophobicContact CD1-CG1 4.35Å
30L98Very high97.3Very high37 Ų3740.2 Ų40.219%0.19420%0.195CC..Hα-helixtrans-61.6-37.2176-70.7168.8000112.7W21 A26 K28 K34 V58W21-L30 HydrophobicContact CZ2-CD1 4.1Å; A26-L30 VanDerWaalsContact O-CG 3.32Å; A26-L30 WeakPolarHBondContact O-CG 3.48Å; A26-L30 PolarHBondContact O-N 3.35Å; K28-L30 PolarHBondContact O-N 3.24Å; L30-K34 WeakPolarHBondContact O-CB 3.31Å; L30-K34 PolarHBondContact O-N 2.7Å; L30-V58 HydrophobicContact CD1-CG2 4.45Å; L30-V58 HydrophobicContact CD2-CG1 3.75Å; L30-V58 HydrophobicContact CD2-CG2 4.41Å; L30-V58 HydrophobicContact CG-CG1 4.13Å; L30-V58 HydrophobicContact CG-CG2 4.15Å
31Q98.2Very high97.2Very high18 Ų1841.4 Ų41.48%0.08421%0.207CC..Hα-helixtrans-72.2-38.9176.3-76171.4-14.900112Y12 F27 K28 L29 K34 E35 P182 R183 S184 C238Y12-Q31 PolarHBondContact OH-NE2 3.07Å; F27-Q31 VanDerWaalsContact O-CB 3.3Å; F27-Q31 WeakPolarHBondContact O-CB 3.23Å; F27-Q31 WeakPolarHBondContact O-CG 3.26Å; F27-Q31 PolarHBondContact O-N 3.24Å; K28-Q31 PolarHBondContact O-N 3.47Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 3.47Å; Q31-K34 PolarHBondContact O-N 3.07Å; Q31-E35 PolarHBondContact O-N 3.01Å; Q31-P182 HydrophobicContact CB-CB 4.19Å; Q31-P182 VanDerWaalsContact OE1-CB 3.24Å; Q31-R183 VanDerWaalsContact OE1-N 3.13Å; Q31-S184 VanDerWaalsContact OE1-CB 3.27Å; Q31-S184 PolarHBondContact OE1-OG 2.86Å; Q31-C238 HydrophobicContact CB-CB 4.16Å
32L98.6Very high97.2Very high0 Ų040.5 Ų40.50%021%0.205CC..Hα-helixtrans-63.4-46173.7-68166000111K28 L29 K34 E35 F36 L38 W55 V154 A180 P182 F193 V195K28-L32 VanDerWaalsContact O-CG 3.28Å; K28-L32 WeakPolarHBondContact O-CG 3.4Å; K28-L32 PolarHBondContact O-N 3.3Å; L29-L32 PolarHBondContact O-N 2.8Å; L32-K34 PolarHBondContact O-N 3.16Å; L32-E35 PolarHBondContact O-N 2.97Å; L32-F36 HydrophobicContact CD2-CD2 4.38Å; L32-F36 HydrophobicContact CD2-CE2 4Å; L32-F36 WeakPolarHBondContact O-CD2 3.26Å; L32-F36 PolarHBondContact O-N 3.47Å; L32-L38 HydrophobicContact CB-CD1 3.8Å; L32-W55 HydrophobicContact CD1-CH2 4.19Å; L32-W55 HydrophobicContact CD1-CZ2 4.42Å; L32-V154 HydrophobicContact CD1-CG1 4Å; L32-A180 HydrophobicContact CD2-CB 3.44Å; L32-A180 VanDerWaalsContact CD2-CB 3.44Å; L32-P182 HydrophobicContact CD1-CG 4.17Å; L32-P182 HydrophobicContact CD2-CG 3.94Å; L32-P182 HydrophobicContact CG-CG 3.84Å; L32-F193 HydrophobicContact CD1-CB 4.15Å; L32-F193 HydrophobicContact CD1-CD1 4.08Å; L32-F193 HydrophobicContact CD1-CD2 4.2Å; L32-F193 HydrophobicContact CD1-CG 3.85Å; L32-F193 HydrophobicContact CD2-CB 4.3Å; L32-V195 HydrophobicContact CD2-CG2 4.13Å
33D97.9Very high97.1Very high28 Ų2841.4 Ų41.415%0.1521%0.214CC..Hα-helixtrans-61.1-42.5176.7173.960.8000112.2L29 E35 F36 Q37 L38 F39L29-D33 WeakPolarHBondContact O-CB 3.43Å; L29-D33 PolarHBondContact O-N 3.35Å; D33-E35 PolarHBondContact O-N 3.19Å; D33-F36 PolarHBondContact O-N 2.99Å; D33-Q37 VanDerWaalsContact O-CA 3.23Å; D33-Q37 WeakPolarHBondContact O-CA 3.44Å; D33-Q37 PolarHBondContact O-N 2.79Å; D33-L38 HydrophobicContact CB-CB 4.4Å; D33-L38 PolarHBondContact OD1-N 2.86Å; D33-L38 VanDerWaalsContact OD1-N 3.11Å; D33-F39 HydrophobicContact CB-CD2 3.87Å; D33-F39 HydrophobicContact CB-CE1 4.43Å; D33-F39 HydrophobicContact CB-CE2 3.52Å; D33-F39 HydrophobicContact CB-CG 4.46Å; D33-F39 HydrophobicContact CB-CZ 3.85Å; D33-F39 WeakPolarHBondContact OD1-CD2 3.48Å; D33-F39 VanDerWaalsContact OD1-CG 3.25Å; D33-F39 WeakPolarHBondContact OD1-CG 3.4Å; D33-F39 PolarHBondContact OD1-N 3.12Å; D33-F39 WeakPolarHBondContact OD2-CD2 3.25Å; D33-F39 WeakPolarHBondContact OD2-CE2 3.38Å
34K97.3Very high97.1Very high147 Ų14743 Ų4364%0.63922%0.215SC*.Hα-helixtrans-57.9-36.1176.6-175.5179.1177.7-176.10112.6L30 Q31 L32L30-K34 WeakPolarHBondContact O-CB 3.31Å; L30-K34 PolarHBondContact O-N 2.7Å; Q31-K34 PolarHBondContact O-N 3.07Å; L32-K34 PolarHBondContact O-N 3.16Å
35E97.8Very high97.2Very high98 Ų9841 Ų4146%0.45821%0.208SC..Hα-helixtrans-81.5-44.4-178.3-168.663.4-15300112.2Q31 L32 D33 V236 C238Q31-E35 PolarHBondContact O-N 3.01Å; L32-E35 PolarHBondContact O-N 2.97Å; D33-E35 PolarHBondContact O-N 3.19Å; E35-V236 HydrophobicContact CG-CG1 3.87Å; E35-C238 HydrophobicContact CB-CB 4.29Å
36F97.9Very high97.3Very high27 Ų2740.3 Ų40.312%0.11820%0.203CC..Hα-helixtrans-109.90.5-168.5-54.5-66000114.8L32 D33 L38 L178 A180 V195 V236 C238L32-F36 HydrophobicContact CD2-CD2 4.38Å; L32-F36 HydrophobicContact CD2-CE2 4Å; L32-F36 WeakPolarHBondContact O-CD2 3.26Å; L32-F36 PolarHBondContact O-N 3.47Å; D33-F36 PolarHBondContact O-N 2.99Å; F36-L38 HydrophobicContact CB-CD2 3.81Å; F36-L38 HydrophobicContact CB-CG 4.01Å; F36-L38 PolarHBondContact O-N 3.11Å; F36-L178 HydrophobicContact CD1-CD2 4.03Å; F36-L178 HydrophobicContact CE1-CD1 3.64Å; F36-L178 HydrophobicContact CE1-CD2 3.49Å; F36-L178 VanDerWaalsContact CE1-CD2 3.49Å; F36-L178 HydrophobicContact CE1-CG 4.22Å; F36-L178 HydrophobicContact CE2-CD1 4.1Å; F36-L178 HydrophobicContact CZ-CD1 3.37Å; F36-L178 HydrophobicContact CZ-CD2 4.15Å; F36-L178 HydrophobicContact CZ-CG 4.41Å; F36-A180 HydrophobicContact CE2-CB 3.65Å; F36-A180 HydrophobicContact CZ-CB 3.92Å; F36-V195 HydrophobicContact CB-CG1 4.43Å; F36-V195 HydrophobicContact CD1-CG1 4.48Å; F36-V195 HydrophobicContact CD2-CG1 4.04Å; F36-V195 HydrophobicContact CD2-CG2 4.02Å; F36-V195 HydrophobicContact CE2-CG1 4.48Å; F36-V195 HydrophobicContact CE2-CG2 3.88Å; F36-V195 HydrophobicContact CG-CG1 4.05Å; F36-V236 HydrophobicContact CE1-CG1 4.37Å; F36-V236 HydrophobicContact CE1-CG2 4.47Å; F36-V236 HydrophobicContact CZ-CB 3.98Å; F36-V236 HydrophobicContact CZ-CG1 3.89Å; F36-V236 HydrophobicContact CZ-CG2 4.36Å; F36-C238 VanDerWaalsContact CE2-SG 3.55Å
37Q97Very high97.3Very high120 Ų12040.4 Ų40.456%0.56120%0.203SC*.  trans5441.3-178.7-56.4174.932.200112.3D33 F39 Q40D33-Q37 VanDerWaalsContact O-CA 3.23Å; D33-Q37 WeakPolarHBondContact O-CA 3.44Å; D33-Q37 PolarHBondContact O-N 2.79Å; Q37-F39 PolarHBondContact O-N 3.4Å; Q37-Q40 HydrophobicContact CB-CB 4.34Å; Q37-Q40 WeakPolarHBondContact O-CB 3.37Å; Q37-Q40 PolarHBondContact O-N 3.08Å
38L97.7Very high97.4Very high4 Ų438.9 Ų38.92%0.02120%0.196CC..THydrogen-bonded Turntrans-57.4-27.8-171.7-64.3175.8000113.3L29 L32 D33 F36 V42 V154 V195L29-L38 HydrophobicContact CD1-CD1 4.33Å; L32-L38 HydrophobicContact CB-CD1 3.8Å; D33-L38 HydrophobicContact CB-CB 4.4Å; D33-L38 PolarHBondContact OD1-N 2.86Å; D33-L38 VanDerWaalsContact OD1-N 3.11Å; F36-L38 HydrophobicContact CB-CD2 3.81Å; F36-L38 HydrophobicContact CB-CG 4.01Å; F36-L38 PolarHBondContact O-N 3.11Å; L38-V42 WeakPolarHBondContact O-CG2 3.35Å; L38-V154 HydrophobicContact CD1-CG2 3.89Å; L38-V154 HydrophobicContact CD2-CG2 3.85Å; L38-V195 HydrophobicContact CD2-CG1 4.16Å
39F96.6Very high97.4Very high9 Ų939.2 Ų39.24%0.03920%0.201CC..THydrogen-bonded Turntrans-91.5-0.8-178.4-52.7-30.7000114.4L29 D33 Q37 G41 V42 V58 L59 K62 Q66 L112L29-F39 HydrophobicContact CD1-CE1 4.36Å; L29-F39 HydrophobicContact CD1-CZ 4.27Å; L29-F39 HydrophobicContact CD2-CE1 4.36Å; L29-F39 HydrophobicContact CD2-CZ 3.98Å; L29-F39 HydrophobicContact CG-CE1 4.35Å; L29-F39 HydrophobicContact CG-CZ 3.83Å; D33-F39 HydrophobicContact CB-CD2 3.87Å; D33-F39 HydrophobicContact CB-CE1 4.43Å; D33-F39 HydrophobicContact CB-CE2 3.52Å; D33-F39 HydrophobicContact CB-CG 4.46Å; D33-F39 HydrophobicContact CB-CZ 3.85Å; D33-F39 WeakPolarHBondContact OD1-CD2 3.48Å; D33-F39 VanDerWaalsContact OD1-CG 3.25Å; D33-F39 WeakPolarHBondContact OD1-CG 3.4Å; D33-F39 PolarHBondContact OD1-N 3.12Å; D33-F39 WeakPolarHBondContact OD2-CD2 3.25Å; D33-F39 WeakPolarHBondContact OD2-CE2 3.38Å; Q37-F39 PolarHBondContact O-N 3.4Å; F39-G41 PolarHBondContact O-N 2.87Å; F39-V42 PolarHBondContact O-N 3.42Å; F39-V58 HydrophobicContact CE2-CG1 3.9Å; F39-V58 HydrophobicContact CZ-CG1 3.75Å; F39-L59 HydrophobicContact CD1-CD2 4.11Å; F39-L59 HydrophobicContact CE1-CD2 3.52Å; F39-L59 HydrophobicContact CZ-CD2 4.23Å; F39-K62 HydrophobicContact CD2-CB 3.56Å; F39-K62 HydrophobicContact CD2-CD 4.26Å; F39-K62 HydrophobicContact CD2-CG 3.78Å; F39-K62 HydrophobicContact CE2-CB 3.85Å; F39-K62 HydrophobicContact CE2-CD 4.38Å; F39-K62 HydrophobicContact CE2-CG 3.67Å; F39-K62 HydrophobicContact CG-CB 4.21Å; F39-Q66 PolarHBondContact O-NE2 3.07Å; F39-L112 HydrophobicContact CD1-CD2 3.97Å; F39-L112 HydrophobicContact CE1-CD2 4.07Å
40Q94.2Very high97.3Very high145 Ų14539.4 Ų39.468%0.67820%0.203SC*.THydrogen-bonded Turntrans-67.3119.4-179.3-170.8177.33300110.7Q37 V42Q37-Q40 HydrophobicContact CB-CB 4.34Å; Q37-Q40 WeakPolarHBondContact O-CB 3.37Å; Q37-Q40 PolarHBondContact O-N 3.08Å; Q40-V42 PolarHBondContact O-N 3.19Å
41G93.8Very high97.2Very high53 Ų5338.9 Ų38.955%0.54620%0.203SC..THydrogen-bonded Turntrans68.811.1179.400000114.7F39F39-G41 PolarHBondContact O-N 2.87Å
42V96.4Very high97.1Very high8 Ų840.6 Ų40.65%0.04822%0.216CC..  trans-81.3127.4176.2174.60000109.6L38 F39 Q40 A45 I63 D111 L112L38-V42 WeakPolarHBondContact O-CG2 3.35Å; F39-V42 PolarHBondContact O-N 3.42Å; Q40-V42 PolarHBondContact O-N 3.19Å; V42-A45 HydrophobicContact CG1-CB 4.11Å; V42-I63 HydrophobicContact CB-CD1 4.28Å; V42-I63 HydrophobicContact CB-CG1 4.31Å; V42-I63 HydrophobicContact CG1-CD1 3.46Å; V42-I63 VanDerWaalsContact CG1-CD1 3.46Å; V42-I63 HydrophobicContact CG1-CG1 3.98Å; V42-I63 HydrophobicContact CG1-CG2 4.44Å; V42-I63 WeakPolarHBondContact O-CG2 3.23Å; V42-D111 HydrophobicContact CB-CB 4.34Å; V42-D111 HydrophobicContact CG1-CB 4.15Å; V42-D111 HydrophobicContact CG2-CB 4.17Å; V42-L112 HydrophobicContact CG1-CB 3.91Å; V42-L112 HydrophobicContact CG1-CD2 4.45Å; V42-L112 HydrophobicContact CG2-CB 3.98Å; V42-L112 HydrophobicContact CG2-CD2 4.45Å
43T95.4Very high97Very high46 Ų4640.6 Ų40.628%0.28222%0.216SC..  trans-120.2-29.4177.359.30000112.3G69 H70 D111T43-G69 CarbonylContact O-C 3.59Å; T43-G69 WeakPolarHBondContact O-CA 3.45Å; T43-H70 PolarHBondContact O-N 2.81Å; T43-D111 WeakPolarHBondContact CA-OD2 3.5Å; T43-D111 PolarHBondContact N-OD2 2.8Å; T43-D111 PolarHBondContact OG1-OD2 2.9Å
44R97Very high97Very high54 Ų5439.4 Ų39.420%0.20421%0.21CC..EExtended strand (participates in β ladder)trans-125.3117.8177.3-69.5174.6-58.4-57.2-18.7108.9H70 F105 P109 D111 L112R44-H70 WeakPolarHBondContact CA-O 3.39Å; R44-H70 HydrophobicContact CG-CB 4.41Å; R44-F105 HydrophobicContact CB-CD1 4.03Å; R44-F105 HydrophobicContact CB-CE1 3.77Å; R44-F105 HydrophobicContact CB-CZ 4.07Å; R44-F105 HydrophobicContact CG-CD1 3.79Å; R44-F105 HydrophobicContact CG-CE1 3.95Å; R44-F105 HydrophobicContact CG-CG 4.44Å; R44-P109 VanDerWaalsContact CZ-O 3.23Å; R44-P109 PolarHBondContact NE-O 3.19Å; R44-P109 PolarHBondContact NH2-O 3.11Å; R44-D111 IonicContact CZ-OD2 2.69Å; R44-D111 PolarHBondContact N-OD2 2.8Å; R44-D111 IonicContact NH2-OD1 3.58Å; R44-D111 PolarHBondContact NH2-OD1 3.32Å; R44-D111 VanDerWaalsContact NH2-OD1 3.14Å; R44-D111 IonicContact NH2-OD2 3.89Å; R44-D111 PolarHBondContact O-N 3.02Å; R44-L112 PolarHBondContact O-N 2.87Å
45A98.3Very high97.1Very high0 Ų032.6 Ų32.60%018%0.18CC..EExtended strand (participates in β ladder)trans-124.6142178.800000111.7V42 L59 I63 H70 V71 V72 L112V42-A45 HydrophobicContact CG1-CB 4.11Å; A45-L59 HydrophobicContact CB-CD1 4.14Å; A45-L59 HydrophobicContact CB-CD2 4.03Å; A45-I63 HydrophobicContact CB-CD1 3.64Å; A45-H70 PolarHBondContact N-O 3.5Å; A45-V71 WeakPolarHBondContact O-CA 3.29Å; A45-V72 PolarHBondContact O-N 2.89Å; A45-L112 CarbonylContact C-O 3.51Å; A45-L112 VanDerWaalsContact CA-O 3.26Å; A45-L112 WeakPolarHBondContact CA-O 3.33Å; A45-L112 HydrophobicContact CB-CB 4.41Å
46V98.7Very high97.1Very high0 Ų027.9 Ų27.90%016%0.159CC..EExtended strand (participates in β ladder)trans-111.6130.4173.6-176.50000109.2L48 V72 I101 F105 A110 L112 V113 V114 V146V46-L48 HydrophobicContact CG1-CD2 3.51Å; V46-L48 HydrophobicContact CG1-CG 3.98Å; V46-V72 CarbonylContact C-O 3.48Å; V46-V72 VanDerWaalsContact CA-O 3.28Å; V46-V72 WeakPolarHBondContact CA-O 3.4Å; V46-I101 HydrophobicContact CG1-CD1 4.17Å; V46-I101 HydrophobicContact CG1-CG2 4.42Å; V46-I101 HydrophobicContact CG2-CG2 3.71Å; V46-F105 HydrophobicContact CG2-CE2 3.47Å; V46-F105 VanDerWaalsContact CG2-CE2 3.47Å; V46-F105 HydrophobicContact CG2-CZ 3.84Å; V46-A110 HydrophobicContact CG2-CB 3.9Å; V46-L112 PolarHBondContact N-O 3.41Å; V46-V113 HydrophobicContact CB-CG1 4.4Å; V46-V113 HydrophobicContact CB-CG2 4.03Å; V46-V113 HydrophobicContact CG2-CG2 4.28Å; V46-V113 CarbonylContact O-C 3.57Å; V46-V113 WeakPolarHBondContact O-CA 3.38Å; V46-V114 WeakPolarHBondContact O-CG2 3.39Å; V46-V114 PolarHBondContact O-N 3.49Å; V46-V146 HydrophobicContact CG2-CG2 4.23Å
47D98.8Very high97.1Very high2 Ų227.7 Ų27.71%0.01116%0.158CC..EExtended strand (participates in β ladder)trans-110.4109172.8-171.717.5000108.8A50 W55 S56 L59 V72 A73 V74 V114D47-A50 HydrophobicContact CB-CB 4.08Å; D47-A50 WeakPolarHBondContact OD2-CB 3.32Å; D47-W55 WeakPolarHBondContact OD2-CB 3.37Å; D47-S56 WeakPolarHBondContact OD2-CA 3.31Å; D47-S56 WeakPolarHBondContact OD2-CB 3.48Å; D47-S56 PolarHBondContact OD2-N 3.07Å; D47-S56 PolarHBondContact OD2-OG 3.28Å; D47-L59 HydrophobicContact CB-CD1 4.01Å; D47-V72 PolarHBondContact N-O 3.36Å; D47-A73 HydrophobicContact CB-CB 4.4Å; D47-A73 CarbonylContact O-C 3.58Å; D47-A73 WeakPolarHBondContact O-CA 3.37Å; D47-V74 PolarHBondContact O-N 3.15Å; D47-V114 HydrophobicContact CB-CG2 4.1Å
48L98.7Very high97.1Very high0 Ų022 Ų220%013%0.131CC..EExtended strand (participates in β ladder)trans-96.2142.9179.9-57.9179.4000110.2V46 A50 V74 I92 I101 V113 V114 C115 A139 I142V46-L48 HydrophobicContact CG1-CD2 3.51Å; V46-L48 HydrophobicContact CG1-CG 3.98Å; L48-A50 VanDerWaalsContact C-N 3.26Å; L48-A50 PolarHBondContact O-N 3.03Å; L48-V74 CarbonylContact C-O 3.39Å; L48-V74 HydrophobicContact CD2-CB 4.08Å; L48-V74 HydrophobicContact CD2-CG2 4.1Å; L48-I92 HydrophobicContact CB-CG2 4.37Å; L48-I92 HydrophobicContact CD2-CG2 3.98Å; L48-I101 HydrophobicContact CD2-CD1 4.28Å; L48-V113 HydrophobicContact CD1-CG1 3.69Å; L48-V113 HydrophobicContact CG-CG1 4.06Å; L48-V114 PolarHBondContact N-O 3.03Å; L48-C115 HydrophobicContact CB-CB 4.05Å; L48-C115 WeakPolarHBondContact O-CA 3.17Å; L48-A139 HydrophobicContact CD1-CB 3.89Å; L48-I142 HydrophobicContact CD1-CB 4.07Å; L48-I142 HydrophobicContact CD1-CG2 3.97Å; L48-I142 HydrophobicContact CD2-CG2 3.98Å
49C97.8Very high97.1Very high27 Ų2721.8 Ų21.818%0.18213%0.13CC..SBendtrans53.148.4-170.4-53.30000111.1V74 D75C49-V74 WeakPolarHBondContact CA-O 3.45Å; C49-V74 PolarHBondContact N-O 2.68Å; C49-D75 VanDerWaalsContact CA-OD2 3.27Å; C49-D75 WeakPolarHBondContact CA-OD2 3.48Å
50A97.9Very high97.1Very high5 Ų522.4 Ų22.44%0.04114%0.136CC..  trans-74.8-22.9-164.600000114.9D47 L48 G53 A73 V74 D75 M79D47-A50 HydrophobicContact CB-CB 4.08Å; D47-A50 WeakPolarHBondContact OD2-CB 3.32Å; L48-A50 VanDerWaalsContact C-N 3.26Å; L48-A50 PolarHBondContact O-N 3.03Å; A50-G53 WeakPolarHBondContact O-CA 3.44Å; A50-G53 PolarHBondContact O-N 3.36Å; A50-A73 HydrophobicContact CB-CB 3.77Å; A50-V74 PolarHBondContact N-O 3.48Å; A50-D75 PolarHBondContact N-OD2 2.9Å; A50-M79 HydrophobicContact CB-SD 4.44Å
51A95.8Very high97.1Very high25 Ų2520.5 Ų20.521%0.20713%0.127CC..THydrogen-bonded Turntrans-61.8134.6-172.100000111D75 Q77A51-D75 HydrophobicContact CB-CB 4Å; A51-D75 VanDerWaalsContact CB-CG 3.42Å; A51-D75 VanDerWaalsContact CB-OD2 3.3Å; A51-D75 WeakPolarHBondContact CB-OD2 3.38Å; A51-D75 PolarHBondContact N-OD2 3.39Å; A51-Q77 HydrophobicContact CB-CB 4.09Å
52P96.2Very high97.1Very high54 Ų5422.5 Ų22.535%0.35112%0.12SC..THydrogen-bonded Turncis-89.78.310.137.1-37.8000114.8R22 A23 M79R22-P52 HydrophobicContact CB-CG 4.43Å; R22-P52 WeakPolarHBondContact CD-O 3.41Å; R22-P52 PolarHBondContact NH1-O 3.41Å; A23-P52 HydrophobicContact CB-CG 4.04Å; P52-M79 VanDerWaalsContact C-SD 3.56Å
53G96.9Very high96.9Very high0 Ų022.1 Ų22.10%012%0.118CC..  trans103.721.1173.800000115A50 Q57 M79 L82A50-G53 WeakPolarHBondContact O-CA 3.44Å; A50-G53 PolarHBondContact O-N 3.36Å; G53-Q57 VanDerWaalsContact O-CB 3.22Å; G53-Q57 WeakPolarHBondContact O-CB 3.35Å; G53-Q57 PolarHBondContact O-N 3.32Å; G53-M79 WeakPolarHBondContact CA-SD 3.29Å; G53-M79 PolarHBondContact N-SD 3.46Å; G53-M79 VanDerWaalsContact N-SD 3.38Å; G53-L82 WeakPolarHBondContact O-CD1 3.38Å
54S97.7Very high96.1Very high4 Ų421.5 Ų21.53%0.02812%0.121CC..Hα-helixtrans-67.6-38179.444.60000113S25 V58S25-S54 PolarHBondContact OG-OG 2.71Å; S54-V58 WeakPolarHBondContact O-CG2 3.31Å; S54-V58 PolarHBondContact O-N 3.05Å; S54-V58 VanDerWaalsContact O-N 3.15Å
55W98.5Very high95Very high3 Ų322.3 Ų22.31%0.01115%0.146CC..Hα-helixtrans-73.2-44.3175.9-79.925.7000110.4S25 K28 L29 L32 D47 Q57 V58 L59 V114 D116 V154 F193S25-W55 PolarHBondContact O-NE1 3.3Å; K28-W55 HydrophobicContact CB-CZ2 4.16Å; L29-W55 HydrophobicContact CB-CD2 3.89Å; L29-W55 HydrophobicContact CB-CG 4.07Å; L29-W55 HydrophobicContact CB-CZ2 3.95Å; L29-W55 HydrophobicContact CD1-CD2 4.36Å; L29-W55 HydrophobicContact CD1-CE3 4.22Å; L29-W55 HydrophobicContact CD1-CH2 4.31Å; L29-W55 HydrophobicContact CD1-CZ2 4.48Å; L29-W55 HydrophobicContact CD1-CZ3 4.21Å; L29-W55 HydrophobicContact CD2-CB 3.88Å; L29-W55 HydrophobicContact CD2-CD2 3.9Å; L29-W55 HydrophobicContact CD2-CE3 4.23Å; L29-W55 HydrophobicContact CD2-CG 3.78Å; L29-W55 HydrophobicContact CG-CD2 4.26Å; L29-W55 HydrophobicContact CG-CG 4.48Å; L32-W55 HydrophobicContact CD1-CH2 4.19Å; L32-W55 HydrophobicContact CD1-CZ2 4.42Å; D47-W55 WeakPolarHBondContact OD2-CB 3.37Å; W55-Q57 VanDerWaalsContact C-N 3.26Å; W55-Q57 PolarHBondContact O-N 3.2Å; W55-V58 WeakPolarHBondContact O-CB 3.11Å; W55-V58 PolarHBondContact O-N 3.47Å; W55-L59 WeakPolarHBondContact O-CG 3.43Å; W55-L59 PolarHBondContact O-N 3.04Å; W55-V114 HydrophobicContact CE3-CB 3.64Å; W55-V114 HydrophobicContact CE3-CG2 3.64Å; W55-V114 HydrophobicContact CZ3-CB 3.68Å; W55-V114 HydrophobicContact CZ3-CG1 4.47Å; W55-V114 HydrophobicContact CZ3-CG2 4.22Å; W55-D116 HydrophobicContact CD2-CB 3.82Å; W55-D116 HydrophobicContact CE3-CB 3.99Å; W55-D116 HydrophobicContact CH2-CB 4Å; W55-D116 HydrophobicContact CZ2-CB 3.76Å; W55-D116 HydrophobicContact CZ3-CB 4.06Å; W55-V154 HydrophobicContact CH2-CG1 4.48Å; W55-F193 AromaticContact CH2-CD1 3.74Å; W55-F193 HydrophobicContact CH2-CD1 3.74Å; W55-F193 AromaticContact CH2-CE1 3.37Å; W55-F193 HydrophobicContact CH2-CE1 3.37Å; W55-F193 HydrophobicContact CH2-CZ 4.26Å; W55-F193 HydrophobicContact CZ2-CD1 4.34Å; W55-F193 AromaticContact CZ2-CE1 3.63Å; W55-F193 HydrophobicContact CZ2-CE1 3.63Å; W55-F193 HydrophobicContact CZ2-CZ 4.07Å; W55-F193 HydrophobicContact CZ3-CE1 4.46Å
56S98.2Very high93.8Very high0 Ų027.4 Ų27.40%017%0.169CC..Hα-helixtrans-50.5-43.4168.8-65.70000113.1D47 L59 S60 A73D47-S56 WeakPolarHBondContact OD2-CA 3.31Å; D47-S56 WeakPolarHBondContact OD2-CB 3.48Å; D47-S56 PolarHBondContact OD2-N 3.07Å; D47-S56 PolarHBondContact OD2-OG 3.28Å; S56-L59 PolarHBondContact O-N 3.35Å; S56-S60 WeakPolarHBondContact O-CB 3.42Å; S56-S60 PolarHBondContact O-N 3.45Å; S56-S60 PolarHBondContact O-OG 3.45Å; S56-A73 VanDerWaalsContact OG-CB 3.22Å; S56-A73 WeakPolarHBondContact OG-CB 3.47Å
57Q97.3Very high92.1Very high22 Ų2230.7 Ų30.710%0.10320%0.204CC..Hα-helixtrans-65.9-40.9177.1-171.2-174.111.600112.1G20 W21 G53 W55 S60 Q61 L82G20-Q57 PolarHBondContact O-NE2 3.32Å; W21-Q57 HydrophobicContact CE3-CB 4.38Å; W21-Q57 HydrophobicContact CE3-CG 3.93Å; W21-Q57 HydrophobicContact CZ3-CB 4.3Å; W21-Q57 HydrophobicContact CZ3-CG 3.79Å; G53-Q57 VanDerWaalsContact O-CB 3.22Å; G53-Q57 WeakPolarHBondContact O-CB 3.35Å; G53-Q57 PolarHBondContact O-N 3.32Å; W55-Q57 VanDerWaalsContact C-N 3.26Å; W55-Q57 PolarHBondContact O-N 3.2Å; Q57-S60 PolarHBondContact O-OG 3.25Å; Q57-Q61 VanDerWaalsContact O-CG 3.31Å; Q57-Q61 WeakPolarHBondContact O-CG 3.3Å; Q57-Q61 PolarHBondContact O-N 3.08Å; Q57-L82 HydrophobicContact CB-CD1 4.47Å; Q57-L82 HydrophobicContact CB-CD2 4.3Å; Q57-L82 HydrophobicContact CG-CD2 4.35Å
58V97.9Very high90.9Very high0 Ų034.3 Ų34.30%023%0.229CC..Hα-helixtrans-64.2-48.8174.7169.40000110.1W21 A26 L29 L30 F39 S54 W55 S60 Q61 K62W21-V58 HydrophobicContact CE3-CG2 3.93Å; W21-V58 HydrophobicContact CH2-CG2 3.91Å; W21-V58 HydrophobicContact CZ3-CB 4.35Å; W21-V58 HydrophobicContact CZ3-CG2 3.55Å; A26-V58 HydrophobicContact CB-CG2 3.8Å; L29-V58 HydrophobicContact CD2-CB 4.07Å; L29-V58 HydrophobicContact CD2-CG1 3.88Å; L29-V58 HydrophobicContact CG-CG1 4.23Å; L30-V58 HydrophobicContact CD1-CG2 4.45Å; L30-V58 HydrophobicContact CD2-CG1 3.75Å; L30-V58 HydrophobicContact CD2-CG2 4.41Å; L30-V58 HydrophobicContact CG-CG1 4.13Å; L30-V58 HydrophobicContact CG-CG2 4.15Å; F39-V58 HydrophobicContact CE2-CG1 3.9Å; F39-V58 HydrophobicContact CZ-CG1 3.75Å; S54-V58 WeakPolarHBondContact O-CG2 3.31Å; S54-V58 PolarHBondContact O-N 3.05Å; S54-V58 VanDerWaalsContact O-N 3.15Å; W55-V58 WeakPolarHBondContact O-CB 3.11Å; W55-V58 PolarHBondContact O-N 3.47Å; V58-S60 PolarHBondContact O-N 2.95Å; V58-Q61 PolarHBondContact O-N 3.16Å; V58-K62 HydrophobicContact CG1-CG 4.16Å; V58-K62 VanDerWaalsContact O-CB 3.3Å; V58-K62 WeakPolarHBondContact O-CB 3.46Å; V58-K62 WeakPolarHBondContact O-CG 3.42Å; V58-K62 PolarHBondContact O-N 3.1Å
59L97.8Very high90.2Very high0 Ų035.1 Ų35.10%024%0.238CC..Hα-helixtrans-58.5-48.7179.2-70.3170.8000111.5L29 F39 A45 D47 W55 S56 Q61 K62 I63 V71 L112 V114L29-L59 HydrophobicContact CD2-CD2 4.34Å; L29-L59 HydrophobicContact CD2-CG 4.19Å; F39-L59 HydrophobicContact CD1-CD2 4.11Å; F39-L59 HydrophobicContact CE1-CD2 3.52Å; F39-L59 HydrophobicContact CZ-CD2 4.23Å; A45-L59 HydrophobicContact CB-CD1 4.14Å; A45-L59 HydrophobicContact CB-CD2 4.03Å; D47-L59 HydrophobicContact CB-CD1 4.01Å; W55-L59 WeakPolarHBondContact O-CG 3.43Å; W55-L59 PolarHBondContact O-N 3.04Å; S56-L59 PolarHBondContact O-N 3.35Å; L59-Q61 VanDerWaalsContact C-N 3.33Å; L59-Q61 PolarHBondContact O-N 3.05Å; L59-K62 PolarHBondContact O-N 3Å; L59-I63 HydrophobicContact CB-CD1 4.13Å; L59-I63 HydrophobicContact CD2-CD1 3.64Å; L59-I63 HydrophobicContact CG-CD1 4.49Å; L59-I63 VanDerWaalsContact O-CB 3.29Å; L59-I63 WeakPolarHBondContact O-CB 3.4Å; L59-I63 PolarHBondContact O-N 3.44Å; L59-V71 HydrophobicContact CB-CG1 4.14Å; L59-V71 HydrophobicContact CB-CG2 3.82Å; L59-V71 HydrophobicContact CD1-CG1 4.1Å; L59-L112 HydrophobicContact CD2-CD2 3.95Å; L59-V114 HydrophobicContact CD1-CG2 3.78Å
60S95.6Very high89.9Confident22 Ų2238.8 Ų38.815%0.15425%0.252CS..Hα-helixtrans-65.5-36-177.672.50000112.4S56 Q57 V58 G64S56-S60 WeakPolarHBondContact O-CB 3.42Å; S56-S60 PolarHBondContact O-N 3.45Å; S56-S60 PolarHBondContact O-OG 3.45Å; Q57-S60 PolarHBondContact O-OG 3.25Å; V58-S60 PolarHBondContact O-N 2.95Å; S60-G64 WeakPolarHBondContact O-CA 3.26Å; S60-G64 PolarHBondContact O-N 3.49Å
61Q94.7Very high89.9Confident105 Ų10538.7 Ų38.749%0.49125%0.251SS..Hα-helixtrans-71.7-40.2175-70.6-17818.700112.7Q57 V58 L59 G65Q57-Q61 VanDerWaalsContact O-CG 3.31Å; Q57-Q61 WeakPolarHBondContact O-CG 3.3Å; Q57-Q61 PolarHBondContact O-N 3.08Å; V58-Q61 PolarHBondContact O-N 3.16Å; L59-Q61 VanDerWaalsContact C-N 3.33Å; L59-Q61 PolarHBondContact O-N 3.05Å; Q61-G65 PolarHBondContact O-N 2.84Å
62K94.3Very high90.1Very high95 Ų9537.6 Ų37.641%0.41324%0.241SC..Hα-helixtrans-80.9-39.5-173.8-68.7-72.7-174.8174.60113.6F39 V58 L59F39-K62 HydrophobicContact CD2-CB 3.56Å; F39-K62 HydrophobicContact CD2-CD 4.26Å; F39-K62 HydrophobicContact CD2-CG 3.78Å; F39-K62 HydrophobicContact CE2-CB 3.85Å; F39-K62 HydrophobicContact CE2-CD 4.38Å; F39-K62 HydrophobicContact CE2-CG 3.67Å; F39-K62 HydrophobicContact CG-CB 4.21Å; V58-K62 HydrophobicContact CG1-CG 4.16Å; V58-K62 VanDerWaalsContact O-CB 3.3Å; V58-K62 WeakPolarHBondContact O-CB 3.46Å; V58-K62 WeakPolarHBondContact O-CG 3.42Å; V58-K62 PolarHBondContact O-N 3.1Å; L59-K62 PolarHBondContact O-N 3Å
63I91.3Very high90.2Very high1 Ų135 Ų351%0.00523%0.225CC..Hα-helixtrans-91.6-39.2-179.1-60159.9000110.2V42 A45 L59 G65 Q66 G69V42-I63 HydrophobicContact CB-CD1 4.28Å; V42-I63 HydrophobicContact CB-CG1 4.31Å; V42-I63 HydrophobicContact CG1-CD1 3.46Å; V42-I63 VanDerWaalsContact CG1-CD1 3.46Å; V42-I63 HydrophobicContact CG1-CG1 3.98Å; V42-I63 HydrophobicContact CG1-CG2 4.44Å; V42-I63 WeakPolarHBondContact O-CG2 3.23Å; A45-I63 HydrophobicContact CB-CD1 3.64Å; L59-I63 HydrophobicContact CB-CD1 4.13Å; L59-I63 HydrophobicContact CD2-CD1 3.64Å; L59-I63 HydrophobicContact CG-CD1 4.49Å; L59-I63 VanDerWaalsContact O-CB 3.29Å; L59-I63 WeakPolarHBondContact O-CB 3.4Å; L59-I63 PolarHBondContact O-N 3.44Å; I63-G65 VanDerWaalsContact C-N 3.29Å; I63-G65 PolarHBondContact O-N 3.31Å; I63-Q66 WeakPolarHBondContact O-CB 3.4Å; I63-Q66 PolarHBondContact O-N 3.05Å; I63-G69 VanDerWaalsContact CG2-CA 3.42Å
64G79Confident90.3Very high33 Ų3335 Ų3534%0.3423%0.225SC..Hα-helixtrans-63.7-33.5176.500000113.1S60 Q66 G67S60-G64 WeakPolarHBondContact O-CA 3.26Å; S60-G64 PolarHBondContact O-N 3.49Å; G64-Q66 PolarHBondContact O-N 3.29Å; G64-Q66 VanDerWaalsContact O-N 3.08Å; G64-G67 PolarHBondContact O-N 3.38Å
65G74Confident90.3Very high70 Ų7036 Ų3672%0.72223%0.23SC*.THydrogen-bonded Turntrans-59.9-15.8172.200000114.5Q61 I63Q61-G65 PolarHBondContact O-N 2.84Å; I63-G65 VanDerWaalsContact C-N 3.29Å; I63-G65 PolarHBondContact O-N 3.31Å
66Q72.4Confident90.1Very high107 Ų10741.2 Ų41.250%0.526%0.257SS..THydrogen-bonded Turntrans-87.3-0.6176.9-53.3-179.5600113.4F39 I63 G64F39-Q66 PolarHBondContact O-NE2 3.07Å; I63-Q66 WeakPolarHBondContact O-CB 3.4Å; I63-Q66 PolarHBondContact O-N 3.05Å; G64-Q66 PolarHBondContact O-N 3.29Å; G64-Q66 VanDerWaalsContact O-N 3.08Å
67G63.8Low89.9Confident70 Ų7046.8 Ų46.872%0.72228%0.283SS*.SBendtrans109.6-25.4167.400000116.5G64G64-G67 PolarHBondContact O-N 3.38Å
68S73.9Confident89.8Confident77 Ų7747.8 Ų47.854%0.53830%0.295SS..  trans-150.534.8178.460.90000114.4H70S68-H70 PolarHBondContact O-CE1 2.87Å; S68-H70 PolarHBondContact O-N 2.91Å; S68-H70 PolarHBondContact O-ND1 3.31Å
69G82.8Confident89.6Confident18 Ų1848.9 Ų48.919%0.18630%0.301CS..  trans-66.5127.6176.600000113.2T43 I63T43-G69 CarbonylContact O-C 3.59Å; T43-G69 WeakPolarHBondContact O-CA 3.45Å; I63-G69 VanDerWaalsContact CG2-CA 3.42Å
70H93Very high89.5Confident104 Ų10449.4 Ų49.448%0.48131%0.305SS..EExtended strand (participates in β ladder)trans-114.2123.2174.6-64.674.7000109.7T43 R44 A45 S68 F105T43-H70 PolarHBondContact O-N 2.81Å; R44-H70 WeakPolarHBondContact CA-O 3.39Å; R44-H70 HydrophobicContact CG-CB 4.41Å; A45-H70 PolarHBondContact N-O 3.5Å; S68-H70 PolarHBondContact O-CE1 2.87Å; S68-H70 PolarHBondContact O-N 2.91Å; S68-H70 PolarHBondContact O-ND1 3.31Å; H70-F105 HydrophobicContact CB-CD1 4.36Å; H70-F105 HydrophobicContact CB-CE1 4.04Å
71V97.7Very high89.5Confident2 Ų253.9 Ų53.91%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-115.2127.6176.8-175.70000109.2A45 L59 V85 V86A45-V71 WeakPolarHBondContact O-CA 3.29Å; L59-V71 HydrophobicContact CB-CG1 4.14Å; L59-V71 HydrophobicContact CB-CG2 3.82Å; L59-V71 HydrophobicContact CD1-CG1 4.1Å; V71-V85 HydrophobicContact CB-CG1 4.42Å; V71-V85 HydrophobicContact CB-CG2 4.17Å; V71-V85 HydrophobicContact CG1-CG1 4.11Å; V71-V85 HydrophobicContact CG1-CG2 4.27Å; V71-V86 PolarHBondContact O-N 3.04Å
72V98.3Very high89.5Confident2 Ų249.8 Ų49.81%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-112118.5170.6178.40000108A45 V46 D47 V74 V86 I88 I101 H104 F105A45-V72 PolarHBondContact O-N 2.89Å; V46-V72 CarbonylContact C-O 3.48Å; V46-V72 VanDerWaalsContact CA-O 3.28Å; V46-V72 WeakPolarHBondContact CA-O 3.4Å; D47-V72 PolarHBondContact N-O 3.36Å; V72-V74 HydrophobicContact CG1-CG2 4.39Å; V72-V86 WeakPolarHBondContact CA-O 3.27Å; V72-V86 HydrophobicContact CG2-CB 4.28Å; V72-I88 HydrophobicContact CG1-CD1 3.51Å; V72-I88 HydrophobicContact CG1-CG1 4.19Å; V72-I101 HydrophobicContact CG1-CB 4.49Å; V72-I101 HydrophobicContact CG1-CG1 4.11Å; V72-I101 HydrophobicContact CG1-CG2 4.34Å; V72-H104 HydrophobicContact CG2-CB 3.81Å; V72-F105 HydrophobicContact CB-CE1 4.46Å; V72-F105 HydrophobicContact CB-CE2 4.47Å; V72-F105 HydrophobicContact CB-CZ 3.96Å; V72-F105 HydrophobicContact CG2-CD1 4.21Å; V72-F105 HydrophobicContact CG2-CE1 3.59Å; V72-F105 HydrophobicContact CG2-CE2 4.14Å; V72-F105 HydrophobicContact CG2-CZ 3.55Å
73A98.6Very high89.4Confident1 Ų150.6 Ų50.61%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-106.3135.4179.600000110.1D47 A50 S56 M79 V85 V86 Q87 I88D47-A73 HydrophobicContact CB-CB 4.4Å; D47-A73 CarbonylContact O-C 3.58Å; D47-A73 WeakPolarHBondContact O-CA 3.37Å; A50-A73 HydrophobicContact CB-CB 3.77Å; S56-A73 VanDerWaalsContact OG-CB 3.22Å; S56-A73 WeakPolarHBondContact OG-CB 3.47Å; A73-M79 HydrophobicContact CB-CE 3.52Å; A73-V85 HydrophobicContact CB-CG1 3.6Å; A73-V86 PolarHBondContact N-O 3.01Å; A73-Q87 WeakPolarHBondContact O-CA 3.39Å; A73-I88 PolarHBondContact O-N 3.02Å
74V98.7Very high89.4Confident0 Ų053.4 Ų53.40%036%0.359CS..EExtended strand (participates in β ladder)trans-127.9130.2-177.6-172.80000109.9D47 L48 C49 A50 V72 I88 I92 T97 I101D47-V74 PolarHBondContact O-N 3.15Å; L48-V74 CarbonylContact C-O 3.39Å; L48-V74 HydrophobicContact CD2-CB 4.08Å; L48-V74 HydrophobicContact CD2-CG2 4.1Å; C49-V74 WeakPolarHBondContact CA-O 3.45Å; C49-V74 PolarHBondContact N-O 2.68Å; A50-V74 PolarHBondContact N-O 3.48Å; V72-V74 HydrophobicContact CG1-CG2 4.39Å; V74-I88 WeakPolarHBondContact CA-O 3.24Å; V74-I88 HydrophobicContact CG2-CB 4.23Å; V74-I88 HydrophobicContact CG2-CD1 4.26Å; V74-I92 HydrophobicContact CB-CG2 4.44Å; V74-I92 HydrophobicContact CG1-CG2 3.88Å; V74-T97 HydrophobicContact CG1-CG2 3.46Å; V74-T97 VanDerWaalsContact CG1-CG2 3.46Å; V74-T97 HydrophobicContact CG2-CG2 4.47Å; V74-I101 HydrophobicContact CG2-CD1 3.86Å; V74-I101 HydrophobicContact CG2-CG1 3.86Å
75D98Very high90.3Very high25 Ų2552.6 Ų52.613%0.13435%0.348CS..EExtended strand (participates in β ladder)trans-153.1156.9171.8-156.2-73.2000111C49 A50 A51 Q77 I88 Q89 G90C49-D75 VanDerWaalsContact CA-OD2 3.27Å; C49-D75 WeakPolarHBondContact CA-OD2 3.48Å; A50-D75 PolarHBondContact N-OD2 2.9Å; A51-D75 HydrophobicContact CB-CB 4Å; A51-D75 VanDerWaalsContact CB-CG 3.42Å; A51-D75 VanDerWaalsContact CB-OD2 3.3Å; A51-D75 WeakPolarHBondContact CB-OD2 3.38Å; A51-D75 PolarHBondContact N-OD2 3.39Å; D75-Q77 VanDerWaalsContact C-N 3.28Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.46Å; D75-Q77 PolarHBondContact OD1-N 2.96Å; D75-I88 PolarHBondContact N-O 3.32Å; D75-Q89 CarbonylContact O-C 3.53Å; D75-Q89 VanDerWaalsContact O-CA 3.23Å; D75-Q89 WeakPolarHBondContact O-CA 3.48Å; D75-G90 CarbonylContact C-O 3.41Å; D75-G90 VanDerWaalsContact C-O 3.31Å; D75-G90 PolarHBondContact O-N 2.86Å
76L95.9Very high91.4Very high112 Ų11251.9 Ų51.959%0.58633%0.329SS*.SBendtrans-68.3-32.8168.6-71.5173.9000111.5Q89 D91L76-Q89 WeakPolarHBondContact O-CG 3.35Å; L76-Q89 PolarHBondContact O-NE2 3.23Å; L76-D91 HydrophobicContact CD2-CB 3.6Å
77Q93.7Very high92.6Very high116 Ų11649.6 Ų49.654%0.54232%0.319SS..SBendtrans-86.1144.6-179.8-59.3-171.2-16.500111.4A51 D75 M79A51-Q77 HydrophobicContact CB-CB 4.09Å; D75-Q77 VanDerWaalsContact C-N 3.28Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.46Å; D75-Q77 PolarHBondContact OD1-N 2.96Å; Q77-M79 PolarHBondContact O-N 3.19Å
78A94.1Very high94.2Very high43 Ų4346.6 Ų46.636%0.35529%0.286SS..  trans-63.1137.2170.400000110.5I270A78-I270 HydrophobicContact CB-CD1 4.31Å
79M94.4Very high95.4Very high24 Ų2449.5 Ų49.512%0.11829%0.291CS..  trans-114.2146.4177.1-177.4165.972.100110.3A50 P52 G53 A73 Q77 L82 V85 Q87 I270A50-M79 HydrophobicContact CB-SD 4.44Å; P52-M79 VanDerWaalsContact C-SD 3.56Å; G53-M79 WeakPolarHBondContact CA-SD 3.29Å; G53-M79 PolarHBondContact N-SD 3.46Å; G53-M79 VanDerWaalsContact N-SD 3.38Å; A73-M79 HydrophobicContact CB-CE 3.52Å; Q77-M79 PolarHBondContact O-N 3.19Å; M79-L82 HydrophobicContact CE-CD1 4.23Å; M79-L82 HydrophobicContact SD-CD1 4.33Å; M79-V85 HydrophobicContact CE-CG1 4.4Å; M79-Q87 HydrophobicContact CE-CB 4.33Å; M79-Q87 HydrophobicContact CE-CG 3.54Å; M79-Q87 PolarHBondContact O-OE1 2.96Å; M79-I270 VanDerWaalsContact C-CD1 3.41Å
80A95.2Very high96.1Very high11 Ų1149.2 Ų49.29%0.09129%0.288CS..  trans-70.8142.1175.900000109.7R22 L82 Q87 Q267 I270R22-A80 PolarHBondContact NH1-O 3.37Å; R22-A80 PolarHBondContact NH2-O 2.97Å; A80-L82 PolarHBondContact O-N 3.3Å; A80-Q87 PolarHBondContact O-NE2 3.22Å; A80-Q87 VanDerWaalsContact O-NE2 3.08Å; A80-Q87 PolarHBondContact O-OE1 2.94Å; A80-Q267 HydrophobicContact CB-CG 3.78Å; A80-I270 HydrophobicContact CB-CD1 4.17Å; A80-I270 VanDerWaalsContact N-CD1 3.35Å
81P95.9Very high96.2Very high116 Ų11646.8 Ų46.875%0.75328%0.278SS*.  trans-49.1138.1-179.5-3035.8000113.2R22 Q87R22-P81 PolarHBondContact NH2-O 2.93Å; P81-Q87 VanDerWaalsContact CA-NE2 3.3Å
82L94.2Very high96.1Very high18 Ų1847.1 Ų47.19%0.09428%0.28CS..  trans-127.7125.9179-86.2171.3000108.5R22 G53 Q57 M79 A80 G84 V85R22-L82 VanDerWaalsContact NH2-CD2 3.28Å; R22-L82 VanDerWaalsContact NH2-CG 3.3Å; G53-L82 WeakPolarHBondContact O-CD1 3.38Å; Q57-L82 HydrophobicContact CB-CD1 4.47Å; Q57-L82 HydrophobicContact CB-CD2 4.3Å; Q57-L82 HydrophobicContact CG-CD2 4.35Å; M79-L82 HydrophobicContact CE-CD1 4.23Å; M79-L82 HydrophobicContact SD-CD1 4.33Å; A80-L82 PolarHBondContact O-N 3.3Å; L82-G84 PolarHBondContact O-N 2.97Å; L82-V85 HydrophobicContact CB-CB 3.77Å; L82-V85 HydrophobicContact CB-CG2 3.74Å; L82-V85 HydrophobicContact CD1-CG2 4.36Å; L82-V85 PolarHBondContact O-N 2.79Å; L82-V85 VanDerWaalsContact O-N 3.16Å
83P92.2Very high95.9Very high112 Ų11250.3 Ų50.373%0.72730%0.3SS*.THydrogen-bonded Turntrans-56.6133.3175.1-25.134.6000111.6V85P83-V85 VanDerWaalsContact C-N 3.25Å; P83-V85 PolarHBondContact O-N 3.22Å
84G92.4Very high95.7Very high60 Ų6054.7 Ų54.762%0.61932%0.32SS*.THydrogen-bonded Turntrans748.8179.800000115.3L82L82-G84 PolarHBondContact O-N 2.97Å
85V96.8Very high95.4Very high16 Ų1658.1 Ų58.110%0.09734%0.338CS..EExtended strand (participates in β ladder)trans-121.2120.1179.5-176.30000109.9V71 A73 M79 L82 P83 Q87V71-V85 HydrophobicContact CB-CG1 4.42Å; V71-V85 HydrophobicContact CB-CG2 4.17Å; V71-V85 HydrophobicContact CG1-CG1 4.11Å; V71-V85 HydrophobicContact CG1-CG2 4.27Å; A73-V85 HydrophobicContact CB-CG1 3.6Å; M79-V85 HydrophobicContact CE-CG1 4.4Å; L82-V85 HydrophobicContact CB-CB 3.77Å; L82-V85 HydrophobicContact CB-CG2 3.74Å; L82-V85 HydrophobicContact CD1-CG2 4.36Å; L82-V85 PolarHBondContact O-N 2.79Å; L82-V85 VanDerWaalsContact O-N 3.16Å; P83-V85 VanDerWaalsContact C-N 3.25Å; P83-V85 PolarHBondContact O-N 3.22Å; V85-Q87 HydrophobicContact CG1-CG 4.17Å
86V97.3Very high95.4Very high56 Ų5660.4 Ų60.434%0.33936%0.356SS..EExtended strand (participates in β ladder)trans-77.5135165.4173.90000108.2V71 V72 A73 H104V71-V86 PolarHBondContact O-N 3.04Å; V72-V86 WeakPolarHBondContact CA-O 3.27Å; V72-V86 HydrophobicContact CG2-CB 4.28Å; A73-V86 PolarHBondContact N-O 3.01Å; V86-H104 HydrophobicContact CG1-CB 4.49Å; V86-H104 VanDerWaalsContact CG1-CE1 3.43Å; V86-H104 WeakPolarHBondContact CG1-CE1 3.24Å; V86-H104 WeakPolarHBondContact CG1-ND1 3.14Å
87Q98Very high95.4Very high59 Ų5955.3 Ų55.328%0.27633%0.329SS..EExtended strand (participates in β ladder)trans-120.1123.1-176.5-53.8-178.418.100109.4A73 M79 A80 P81 V85A73-Q87 WeakPolarHBondContact O-CA 3.39Å; M79-Q87 HydrophobicContact CE-CB 4.33Å; M79-Q87 HydrophobicContact CE-CG 3.54Å; M79-Q87 PolarHBondContact O-OE1 2.96Å; A80-Q87 PolarHBondContact O-NE2 3.22Å; A80-Q87 VanDerWaalsContact O-NE2 3.08Å; A80-Q87 PolarHBondContact O-OE1 2.94Å; P81-Q87 VanDerWaalsContact CA-NE2 3.3Å; V85-Q87 HydrophobicContact CG1-CG 4.17Å
88I98.3Very high95.5Very high6 Ų649.8 Ų49.83%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-109.7123.7175.3-59.6169.4000106.9V72 A73 V74 D75 G90 E100 I101V72-I88 HydrophobicContact CG1-CD1 3.51Å; V72-I88 HydrophobicContact CG1-CG1 4.19Å; A73-I88 PolarHBondContact O-N 3.02Å; V74-I88 WeakPolarHBondContact CA-O 3.24Å; V74-I88 HydrophobicContact CG2-CB 4.23Å; V74-I88 HydrophobicContact CG2-CD1 4.26Å; D75-I88 PolarHBondContact N-O 3.32Å; I88-G90 PolarHBondContact O-N 3.24Å; I88-E100 HydrophobicContact CD1-CB 4.08Å; I88-E100 HydrophobicContact CD1-CG 3.74Å; I88-E100 HydrophobicContact CG1-CG 4.14Å; I88-E100 VanDerWaalsContact CG2-CD 3.48Å; I88-E100 HydrophobicContact CG2-CG 4.36Å; I88-E100 WeakPolarHBondContact CG2-OE2 3.45Å; I88-I101 HydrophobicContact CD1-CG1 3.93Å
89Q97.9Very high95.6Very high139 Ų13953.9 Ų53.965%0.6531%0.314SS*.EExtended strand (participates in β ladder)trans-8799.3167.1-169179.1-12.100108.1D75 L76D75-Q89 CarbonylContact O-C 3.53Å; D75-Q89 VanDerWaalsContact O-CA 3.23Å; D75-Q89 WeakPolarHBondContact O-CA 3.48Å; L76-Q89 WeakPolarHBondContact O-CG 3.35Å; L76-Q89 PolarHBondContact O-NE2 3.23Å
90G97.5Very high95.8Very high12 Ų1256.4 Ų56.412%0.12433%0.325CS..  trans-153.7154.8-168.400000113.3D75 I88D75-G90 CarbonylContact C-O 3.41Å; D75-G90 VanDerWaalsContact C-O 3.31Å; D75-G90 PolarHBondContact O-N 2.86Å; I88-G90 PolarHBondContact O-N 3.24Å
91D96.3Very high95.9Very high52 Ų5255.9 Ų55.928%0.27832%0.321SS..  trans-90.8120.3175.8-177.3-15.4000109.4L76 T93 Q94 T97L76-D91 HydrophobicContact CD2-CB 3.6Å; D91-T93 PolarHBondContact O-N 3.33Å; D91-T93 VanDerWaalsContact O-N 3.17Å; D91-T93 WeakPolarHBondContact OD1-CB 3.43Å; D91-T93 WeakPolarHBondContact OD1-CG2 3.25Å; D91-T93 PolarHBondContact OD1-N 3.07Å; D91-T93 PolarHBondContact OD1-OG1 2.89Å; D91-T93 PolarHBondContact OD2-OG1 3.01Å; D91-Q94 HydrophobicContact CB-CB 4.48Å; D91-Q94 HydrophobicContact CB-CG 3.72Å; D91-Q94 WeakPolarHBondContact O-CB 3.29Å; D91-Q94 PolarHBondContact O-N 2.87Å; D91-T97 PolarHBondContact N-OG1 3.01Å; D91-T97 VanDerWaalsContact O-CB 3.25Å; D91-T97 WeakPolarHBondContact O-CB 3.45Å; D91-T97 PolarHBondContact O-OG1 2.63Å
92I95.5Very high96Very high9 Ų953 Ų535%0.04630%0.299CS..THydrogen-bonded Turntrans-69.5-8.4-178.565.3164.6000113.5L48 V74 Q94 L135 A138 A139 I142L48-I92 HydrophobicContact CB-CG2 4.37Å; L48-I92 HydrophobicContact CD2-CG2 3.98Å; V74-I92 HydrophobicContact CB-CG2 4.44Å; V74-I92 HydrophobicContact CG1-CG2 3.88Å; I92-Q94 VanDerWaalsContact C-N 3.27Å; I92-L135 HydrophobicContact CD1-CD1 3.89Å; I92-A138 HydrophobicContact CD1-CB 4.08Å; I92-A138 HydrophobicContact CG1-CB 4.14Å; I92-A139 HydrophobicContact CD1-CB 4.19Å; I92-I142 HydrophobicContact CB-CG1 4.12Å; I92-I142 VanDerWaalsContact O-CD1 3.31Å; I92-I142 WeakPolarHBondContact O-CD1 3.46Å; I92-I142 WeakPolarHBondContact O-CG1 3.38Å
93T93.1Very high96.2Very high69 Ų6959.2 Ų59.242%0.42333%0.327SS..THydrogen-bonded Turntrans-81-8.7170.769.40000112.7D91 A138D91-T93 PolarHBondContact O-N 3.33Å; D91-T93 VanDerWaalsContact O-N 3.17Å; D91-T93 WeakPolarHBondContact OD1-CB 3.43Å; D91-T93 WeakPolarHBondContact OD1-CG2 3.25Å; D91-T93 PolarHBondContact OD1-N 3.07Å; D91-T93 PolarHBondContact OD1-OG1 2.89Å; D91-T93 PolarHBondContact OD2-OG1 3.01Å; T93-A138 HydrophobicContact CG2-CB 3.96Å
94Q94.2Very high96.4Very high93 Ų9357.7 Ų57.744%0.43531%0.31SS..SBendtrans-102.3135-173.6-57.7-61.8-38.500112.5D91 I92 S96 T97D91-Q94 HydrophobicContact CB-CB 4.48Å; D91-Q94 HydrophobicContact CB-CG 3.72Å; D91-Q94 WeakPolarHBondContact O-CB 3.29Å; D91-Q94 PolarHBondContact O-N 2.87Å; I92-Q94 VanDerWaalsContact C-N 3.27Å; Q94-S96 PolarHBondContact O-N 3.27Å; Q94-T97 WeakPolarHBondContact O-CB 3.33Å; Q94-T97 PolarHBondContact O-N 3.28Å; Q94-T97 VanDerWaalsContact O-N 3.09Å
95L93.1Very high96.5Very high72 Ų7255.4 Ų55.438%0.37728%0.283SS..Hα-helixtrans-62.9-27.6175.5178.764.9000113.1T97 A98 K99 L209L95-T97 VanDerWaalsContact C-N 3.26Å; L95-T97 PolarHBondContact O-N 2.9Å; L95-A98 HydrophobicContact CD1-CB 4.42Å; L95-A98 PolarHBondContact O-N 3.36Å; L95-K99 HydrophobicContact CG-CD 4.31Å; L95-K99 WeakPolarHBondContact O-CG 3.44Å; L95-K99 PolarHBondContact O-N 3.13Å; L95-L209 VanDerWaalsContact CA-CD1 3.47Å; L95-L209 HydrophobicContact CB-CD1 3.76Å; L95-L209 HydrophobicContact CD1-CD1 3.7Å; L95-L209 HydrophobicContact CG-CD1 4.33Å
96S96.4Very high96.4Very high74 Ų7463.7 Ų63.752%0.51732%0.318SS..Hα-helixtrans-58.6-40.5173.550.20000111.7Q94 K99 E100Q94-S96 PolarHBondContact O-N 3.27Å; S96-K99 PolarHBondContact O-N 2.86Å; S96-E100 PolarHBondContact O-N 2.94Å
97T97.1Very high96.2Very high4 Ų463.5 Ų63.53%0.02533%0.328CS..Hα-helixtrans-65.3-44.4179.2-53.60000111V74 D91 Q94 L95 K99 E100 I101V74-T97 HydrophobicContact CG1-CG2 3.46Å; V74-T97 VanDerWaalsContact CG1-CG2 3.46Å; V74-T97 HydrophobicContact CG2-CG2 4.47Å; D91-T97 PolarHBondContact N-OG1 3.01Å; D91-T97 VanDerWaalsContact O-CB 3.25Å; D91-T97 WeakPolarHBondContact O-CB 3.45Å; D91-T97 PolarHBondContact O-OG1 2.63Å; Q94-T97 WeakPolarHBondContact O-CB 3.33Å; Q94-T97 PolarHBondContact O-N 3.28Å; Q94-T97 VanDerWaalsContact O-N 3.09Å; L95-T97 VanDerWaalsContact C-N 3.26Å; L95-T97 PolarHBondContact O-N 2.9Å; T97-K99 VanDerWaalsContact C-N 3.34Å; T97-K99 PolarHBondContact O-N 3.26Å; T97-E100 PolarHBondContact O-N 3.37Å; T97-I101 HydrophobicContact CG2-CD1 4.43Å; T97-I101 VanDerWaalsContact O-CG1 3.29Å; T97-I101 WeakPolarHBondContact O-CG1 3.28Å; T97-I101 PolarHBondContact O-N 2.94Å
98A96Very high96.1Very high1 Ų163.8 Ų63.81%0.00834%0.335CS..Hα-helixtrans-57.6-46173.500000111.9L95 E100 I101 I102 I142 H145 L209L95-A98 HydrophobicContact CD1-CB 4.42Å; L95-A98 PolarHBondContact O-N 3.36Å; A98-E100 VanDerWaalsContact C-N 3.35Å; A98-E100 PolarHBondContact O-N 3.28Å; A98-I101 PolarHBondContact O-N 3.47Å; A98-I102 VanDerWaalsContact O-CG1 3.28Å; A98-I102 WeakPolarHBondContact O-CG1 3.44Å; A98-I102 PolarHBondContact O-N 2.83Å; A98-I102 VanDerWaalsContact O-N 3.09Å; A98-I142 HydrophobicContact CB-CD1 3.69Å; A98-H145 HydrophobicContact CB-CB 4.22Å; A98-L209 HydrophobicContact CB-CD1 4.35Å
99K96.6Very high96Very high129 Ų12966.3 Ų66.356%0.56135%0.352SS*.Hα-helixtrans-62.4-40.4178.7-72.5173.1176.5175.20112.3L95 S96 T97 I102 Q103L95-K99 HydrophobicContact CG-CD 4.31Å; L95-K99 WeakPolarHBondContact O-CG 3.44Å; L95-K99 PolarHBondContact O-N 3.13Å; S96-K99 PolarHBondContact O-N 2.86Å; T97-K99 VanDerWaalsContact C-N 3.34Å; T97-K99 PolarHBondContact O-N 3.26Å; K99-I102 PolarHBondContact O-N 3.17Å; K99-Q103 WeakPolarHBondContact O-CB 3.27Å; K99-Q103 PolarHBondContact O-N 3.05Å
100E98.2Very high96.1Very high76 Ų7659.7 Ų59.736%0.35532%0.321SS..Hα-helixtrans-66.2-41.3178.4-166.2175.716600111.8I88 S96 T97 A98 I102 Q103 H104I88-E100 HydrophobicContact CD1-CB 4.08Å; I88-E100 HydrophobicContact CD1-CG 3.74Å; I88-E100 HydrophobicContact CG1-CG 4.14Å; I88-E100 VanDerWaalsContact CG2-CD 3.48Å; I88-E100 HydrophobicContact CG2-CG 4.36Å; I88-E100 WeakPolarHBondContact CG2-OE2 3.45Å; S96-E100 PolarHBondContact O-N 2.94Å; T97-E100 PolarHBondContact O-N 3.37Å; A98-E100 VanDerWaalsContact C-N 3.35Å; A98-E100 PolarHBondContact O-N 3.28Å; E100-I102 PolarHBondContact O-N 2.83Å; E100-Q103 WeakPolarHBondContact O-CB 3.46Å; E100-Q103 PolarHBondContact O-N 3.42Å; E100-H104 PolarHBondContact O-CD2 3.09Å; E100-H104 VanDerWaalsContact O-CD2 3.28Å; E100-H104 PolarHBondContact O-N 3.09Å
101I98Very high96.1Very high0 Ų059.5 Ų59.50%032%0.317CS..Hα-helixtrans-57.6-49.8172.7-63.2161.9000110.5V46 L48 V72 V74 I88 T97 A98 Q103 H104 F105 I142 V146V46-I101 HydrophobicContact CG1-CD1 4.17Å; V46-I101 HydrophobicContact CG1-CG2 4.42Å; V46-I101 HydrophobicContact CG2-CG2 3.71Å; L48-I101 HydrophobicContact CD2-CD1 4.28Å; V72-I101 HydrophobicContact CG1-CB 4.49Å; V72-I101 HydrophobicContact CG1-CG1 4.11Å; V72-I101 HydrophobicContact CG1-CG2 4.34Å; V74-I101 HydrophobicContact CG2-CD1 3.86Å; V74-I101 HydrophobicContact CG2-CG1 3.86Å; I88-I101 HydrophobicContact CD1-CG1 3.93Å; T97-I101 HydrophobicContact CG2-CD1 4.43Å; T97-I101 VanDerWaalsContact O-CG1 3.29Å; T97-I101 WeakPolarHBondContact O-CG1 3.28Å; T97-I101 PolarHBondContact O-N 2.94Å; A98-I101 PolarHBondContact O-N 3.47Å; I101-Q103 VanDerWaalsContact C-N 3.28Å; I101-Q103 PolarHBondContact O-N 3.47Å; I101-H104 PolarHBondContact O-N 3.46Å; I101-F105 HydrophobicContact CG2-CD2 4Å; I101-F105 HydrophobicContact CG2-CE2 3.7Å; I101-F105 PolarHBondContact O-N 3.36Å; I101-I142 HydrophobicContact CD1-CG2 3.76Å; I101-V146 HydrophobicContact CB-CG1 4.31Å; I101-V146 HydrophobicContact CG2-CB 4.41Å; I101-V146 HydrophobicContact CG2-CG1 3.96Å
102I96.9Very high96.2Very high57 Ų5757 Ų5729%0.29230%0.304SS..Hα-helixtrans-60-40.6179.7-66.1165.7000110.8A98 K99 E100 H104 F105 K106 G107 V146A98-I102 VanDerWaalsContact O-CG1 3.28Å; A98-I102 WeakPolarHBondContact O-CG1 3.44Å; A98-I102 PolarHBondContact O-N 2.83Å; A98-I102 VanDerWaalsContact O-N 3.09Å; K99-I102 PolarHBondContact O-N 3.17Å; E100-I102 PolarHBondContact O-N 2.83Å; I102-H104 PolarHBondContact O-N 2.92Å; I102-F105 CarbonylContact O-C 3.56Å; I102-F105 PolarHBondContact O-N 2.92Å; I102-K106 PolarHBondContact O-N 2.69Å; I102-K106 VanDerWaalsContact O-N 3.14Å; I102-G107 PolarHBondContact O-N 3.37Å; I102-V146 HydrophobicContact CD1-CG1 4.45Å; I102-V146 HydrophobicContact CG1-CG1 3.97Å
103Q97.5Very high96.4Very high148 Ų14856.6 Ų56.669%0.69230%0.302SS*.Hα-helixtrans-61.5-42.7177.4-177.4177.9-1.300111.8K99 E100 I101 F105 K106K99-Q103 WeakPolarHBondContact O-CB 3.27Å; K99-Q103 PolarHBondContact O-N 3.05Å; E100-Q103 WeakPolarHBondContact O-CB 3.46Å; E100-Q103 PolarHBondContact O-N 3.42Å; I101-Q103 VanDerWaalsContact C-N 3.28Å; I101-Q103 PolarHBondContact O-N 3.47Å; Q103-F105 VanDerWaalsContact C-N 3.27Å; Q103-F105 PolarHBondContact O-N 2.69Å; Q103-K106 WeakPolarHBondContact O-CA 3.3Å; Q103-K106 PolarHBondContact O-N 2.94Å
104H96.6Very high96.6Very high79 Ų7953.3 Ų53.337%0.36628%0.281SS..Hα-helixtrans-65.9-29.2177.3-82.6-67.3000113.5V72 V86 E100 I101 I102 K106V72-H104 HydrophobicContact CG2-CB 3.81Å; V86-H104 HydrophobicContact CG1-CB 4.49Å; V86-H104 VanDerWaalsContact CG1-CE1 3.43Å; V86-H104 WeakPolarHBondContact CG1-CE1 3.24Å; V86-H104 WeakPolarHBondContact CG1-ND1 3.14Å; E100-H104 PolarHBondContact O-CD2 3.09Å; E100-H104 VanDerWaalsContact O-CD2 3.28Å; E100-H104 PolarHBondContact O-N 3.09Å; I101-H104 PolarHBondContact O-N 3.46Å; I102-H104 PolarHBondContact O-N 2.92Å; H104-K106 VanDerWaalsContact C-N 3.27Å
105F95.7Very high96.8Very high12 Ų1249 Ų495%0.05326%0.262CS..THydrogen-bonded Turntrans-86.38.6169.5-62.5-45.5000114.3R44 V46 H70 V72 I101 I102 Q103 G107 C108 A110R44-F105 HydrophobicContact CB-CD1 4.03Å; R44-F105 HydrophobicContact CB-CE1 3.77Å; R44-F105 HydrophobicContact CB-CZ 4.07Å; R44-F105 HydrophobicContact CG-CD1 3.79Å; R44-F105 HydrophobicContact CG-CE1 3.95Å; R44-F105 HydrophobicContact CG-CG 4.44Å; V46-F105 HydrophobicContact CG2-CE2 3.47Å; V46-F105 VanDerWaalsContact CG2-CE2 3.47Å; V46-F105 HydrophobicContact CG2-CZ 3.84Å; H70-F105 HydrophobicContact CB-CD1 4.36Å; H70-F105 HydrophobicContact CB-CE1 4.04Å; V72-F105 HydrophobicContact CB-CE1 4.46Å; V72-F105 HydrophobicContact CB-CE2 4.47Å; V72-F105 HydrophobicContact CB-CZ 3.96Å; V72-F105 HydrophobicContact CG2-CD1 4.21Å; V72-F105 HydrophobicContact CG2-CE1 3.59Å; V72-F105 HydrophobicContact CG2-CE2 4.14Å; V72-F105 HydrophobicContact CG2-CZ 3.55Å; I101-F105 HydrophobicContact CG2-CD2 4Å; I101-F105 HydrophobicContact CG2-CE2 3.7Å; I101-F105 PolarHBondContact O-N 3.36Å; I102-F105 CarbonylContact O-C 3.56Å; I102-F105 PolarHBondContact O-N 2.92Å; Q103-F105 VanDerWaalsContact C-N 3.27Å; Q103-F105 PolarHBondContact O-N 2.69Å; F105-G107 PolarHBondContact O-N 2.81Å; F105-C108 WeakPolarHBondContact CB-O 3.38Å; F105-C108 WeakPolarHBondContact O-CB 3.2Å; F105-C108 PolarHBondContact O-N 3.28Å; F105-A110 HydrophobicContact CE2-CB 3.96Å
106K94.5Very high97.1Very high190 Ų19046.8 Ų46.883%0.82625%0.25SS*.THydrogen-bonded Turntrans55.535.7179.9-53.4175.8-178174.80112.5I102 Q103 H104 C108I102-K106 PolarHBondContact O-N 2.69Å; I102-K106 VanDerWaalsContact O-N 3.14Å; Q103-K106 WeakPolarHBondContact O-CA 3.3Å; Q103-K106 PolarHBondContact O-N 2.94Å; H104-K106 VanDerWaalsContact C-N 3.27Å; K106-C108 VanDerWaalsContact C-N 3.29Å; K106-C108 PolarHBondContact O-N 3.09Å
107G92.4Very high97Very high53 Ų5343.6 Ų43.655%0.54623%0.229SC..THydrogen-bonded Turntrans83.7-7.6-177.600000115.1I102 F105I102-G107 PolarHBondContact O-N 3.37Å; F105-G107 PolarHBondContact O-N 2.81Å
108C96.1Very high96.8Very high65 Ų6545.7 Ų45.744%0.43925%0.247SC..PPolyproline II helixtrans-76.2136.8176.2-66.10000110.9F105 K106F105-C108 WeakPolarHBondContact CB-O 3.38Å; F105-C108 WeakPolarHBondContact O-CB 3.2Å; F105-C108 PolarHBondContact O-N 3.28Å; K106-C108 VanDerWaalsContact C-N 3.29Å; K106-C108 PolarHBondContact O-N 3.09Å
109P97.3Very high96.6Very high58 Ų5846.9 Ų46.938%0.37726%0.255SS..PPolyproline II helixtrans-73.1148.4178.530.6-36.1000112.1R44 V146 K148R44-P109 VanDerWaalsContact CZ-O 3.23Å; R44-P109 PolarHBondContact NE-O 3.19Å; R44-P109 PolarHBondContact NH2-O 3.11Å; P109-V146 CarbonylContact C-O 3.55Å; P109-V146 VanDerWaalsContact CA-O 3.27Å; P109-V146 WeakPolarHBondContact CA-O 3.48Å; P109-V146 WeakPolarHBondContact CB-O 3.35Å; P109-K148 HydrophobicContact CB-CB 3.81Å; P109-K148 HydrophobicContact CG-CB 3.68Å
110A98.2Very high96.2Very high0 Ų048.3 Ų48.30%027%0.268CS..EExtended strand (participates in β ladder)trans-67.9150.1173.800000112.2V46 F105 V113 V146 K148V46-A110 HydrophobicContact CG2-CB 3.9Å; F105-A110 HydrophobicContact CE2-CB 3.96Å; A110-V113 HydrophobicContact CB-CG2 4.5Å; A110-V146 HydrophobicContact CB-CG2 4.43Å; A110-V146 PolarHBondContact N-O 2.78Å; A110-K148 WeakPolarHBondContact O-CG 3.3Å; A110-K148 PolarHBondContact O-N 2.96Å
111D98.1Very high95.6Very high8 Ų849.8 Ų49.84%0.04328%0.282CS..EExtended strand (participates in β ladder)trans-89.1-30.8174.5-49.8-65.6000111.5V42 T43 R44 K148 G151 C152V42-D111 HydrophobicContact CB-CB 4.34Å; V42-D111 HydrophobicContact CG1-CB 4.15Å; V42-D111 HydrophobicContact CG2-CB 4.17Å; T43-D111 WeakPolarHBondContact CA-OD2 3.5Å; T43-D111 PolarHBondContact N-OD2 2.8Å; T43-D111 PolarHBondContact OG1-OD2 2.9Å; R44-D111 IonicContact CZ-OD2 2.69Å; R44-D111 PolarHBondContact N-OD2 2.8Å; R44-D111 IonicContact NH2-OD1 3.58Å; R44-D111 PolarHBondContact NH2-OD1 3.32Å; R44-D111 VanDerWaalsContact NH2-OD1 3.14Å; R44-D111 IonicContact NH2-OD2 3.89Å; R44-D111 PolarHBondContact O-N 3.02Å; D111-K148 VanDerWaalsContact OD1-CD 3.24Å; D111-K148 WeakPolarHBondContact OD1-CD 3.41Å; D111-K148 WeakPolarHBondContact OD1-CE 3.2Å; D111-K148 IonicContact OD1-NZ 3.74Å; D111-K148 PolarHBondContact OD1-NZ 3.41Å; D111-G151 WeakPolarHBondContact O-CA 3.46Å; D111-C152 PolarHBondContact O-N 2.85Å
112L98.7Very high95.2Very high0 Ų053.8 Ų53.80%031%0.307CS..EExtended strand (participates in β ladder)trans-141.5132.5-175.6174.965.3000110.6F39 V42 R44 A45 V46 L59 V114 C152 V154F39-L112 HydrophobicContact CD1-CD2 3.97Å; F39-L112 HydrophobicContact CE1-CD2 4.07Å; V42-L112 HydrophobicContact CG1-CB 3.91Å; V42-L112 HydrophobicContact CG1-CD2 4.45Å; V42-L112 HydrophobicContact CG2-CB 3.98Å; V42-L112 HydrophobicContact CG2-CD2 4.45Å; R44-L112 PolarHBondContact O-N 2.87Å; A45-L112 CarbonylContact C-O 3.51Å; A45-L112 VanDerWaalsContact CA-O 3.26Å; A45-L112 WeakPolarHBondContact CA-O 3.33Å; A45-L112 HydrophobicContact CB-CB 4.41Å; V46-L112 PolarHBondContact N-O 3.41Å; L59-L112 HydrophobicContact CD2-CD2 3.95Å; L112-V114 HydrophobicContact CD1-CG1 3.83Å; L112-V114 HydrophobicContact CD2-CG1 3.91Å; L112-V114 HydrophobicContact CG-CG1 3.75Å; L112-C152 WeakPolarHBondContact CA-O 3.31Å; L112-C152 HydrophobicContact CD1-CB 3.67Å; L112-V154 HydrophobicContact CD1-CG2 4.48Å
113V98.8Very high94.8Very high0 Ų053.5 Ų53.50%032%0.317CS..EExtended strand (participates in β ladder)trans-118.6129.9168.2176.50000108.4V46 L48 A110 A143 V146 L147 C152 F153 V154V46-V113 HydrophobicContact CB-CG1 4.4Å; V46-V113 HydrophobicContact CB-CG2 4.03Å; V46-V113 HydrophobicContact CG2-CG2 4.28Å; V46-V113 CarbonylContact O-C 3.57Å; V46-V113 WeakPolarHBondContact O-CA 3.38Å; L48-V113 HydrophobicContact CD1-CG1 3.69Å; L48-V113 HydrophobicContact CG-CG1 4.06Å; A110-V113 HydrophobicContact CB-CG2 4.5Å; V113-A143 HydrophobicContact CB-CB 4.23Å; V113-A143 HydrophobicContact CG1-CB 4.11Å; V113-A143 HydrophobicContact CG2-CB 4.24Å; V113-V146 HydrophobicContact CG2-CG2 3.61Å; V113-L147 HydrophobicContact CB-CD2 4.23Å; V113-L147 HydrophobicContact CB-CG 4.4Å; V113-L147 HydrophobicContact CG2-CD1 4.32Å; V113-L147 HydrophobicContact CG2-CD2 3.57Å; V113-L147 HydrophobicContact CG2-CG 3.67Å; V113-C152 PolarHBondContact N-O 3.04Å; V113-F153 HydrophobicContact CB-CD2 3.98Å; V113-F153 HydrophobicContact CG1-CD2 3.81Å; V113-F153 HydrophobicContact CG1-CE2 4.03Å; V113-F153 CarbonylContact O-C 3.59Å; V113-F153 VanDerWaalsContact O-CA 3.31Å; V113-F153 WeakPolarHBondContact O-CA 3.23Å; V113-V154 PolarHBondContact O-N 2.92Å
114V98.9Very high94.5Very high0 Ų051.8 Ų51.80%031%0.313CS..EExtended strand (participates in β ladder)trans-125.3149.6178.9-58.20000111.5L29 V46 D47 L48 W55 L59 L112 V154L29-V114 HydrophobicContact CD1-CG1 4.35Å; V46-V114 WeakPolarHBondContact O-CG2 3.39Å; V46-V114 PolarHBondContact O-N 3.49Å; D47-V114 HydrophobicContact CB-CG2 4.1Å; L48-V114 PolarHBondContact N-O 3.03Å; W55-V114 HydrophobicContact CE3-CB 3.64Å; W55-V114 HydrophobicContact CE3-CG2 3.64Å; W55-V114 HydrophobicContact CZ3-CB 3.68Å; W55-V114 HydrophobicContact CZ3-CG1 4.47Å; W55-V114 HydrophobicContact CZ3-CG2 4.22Å; L59-V114 HydrophobicContact CD1-CG2 3.78Å; L112-V114 HydrophobicContact CD1-CG1 3.83Å; L112-V114 HydrophobicContact CD2-CG1 3.91Å; L112-V114 HydrophobicContact CG-CG1 3.75Å; V114-V154 CarbonylContact C-O 3.53Å; V114-V154 WeakPolarHBondContact CA-O 3.33Å; V114-V154 HydrophobicContact CG1-CB 4.26Å
115C98.6Very high94.2Very high4 Ų454.3 Ų54.33%0.02732%0.324CS..EExtended strand (participates in β ladder)trans-150107.1179.2-173.80000112.2L48 G117 A139 V154 A155 K156L48-C115 HydrophobicContact CB-CB 4.05Å; L48-C115 WeakPolarHBondContact O-CA 3.17Å; C115-G117 VanDerWaalsContact C-N 3.33Å; C115-A139 HydrophobicContact CB-CB 4.15Å; C115-V154 PolarHBondContact N-O 2.82Å; C115-A155 HydrophobicContact CB-CB 4.01Å; C115-A155 CarbonylContact O-C 3.58Å; C115-A155 VanDerWaalsContact O-CA 3.3Å; C115-A155 WeakPolarHBondContact O-CA 3.23Å; C115-K156 PolarHBondContact O-N 2.83Å
116D97.9Very high93.9Very high25 Ų2560.1 Ų60.113%0.13436%0.356CS..  trans-97.220171.1-168.131.7000111.8S25 K28 W55 K156 F193S25-D116 WeakPolarHBondContact CB-OD2 3.48Å; K28-D116 IonicContact NZ-OD1 3.87Å; K28-D116 PolarHBondContact NZ-OD1 2.83Å; K28-D116 IonicContact NZ-OD2 3.76Å; W55-D116 HydrophobicContact CD2-CB 3.82Å; W55-D116 HydrophobicContact CE3-CB 3.99Å; W55-D116 HydrophobicContact CH2-CB 4Å; W55-D116 HydrophobicContact CZ2-CB 3.76Å; W55-D116 HydrophobicContact CZ3-CB 4.06Å; D116-K156 WeakPolarHBondContact O-CE 3.31Å; D116-K156 PolarHBondContact O-NZ 2.85Å; D116-K156 WeakPolarHBondContact OD1-CE 3.45Å; D116-K156 IonicContact OD1-NZ 3.14Å; D116-K156 PolarHBondContact OD1-NZ 2.75Å; D116-K156 VanDerWaalsContact OD1-NZ 3.08Å; D116-F193 HydrophobicContact CB-CE1 4.49Å; D116-F193 WeakPolarHBondContact OD1-CE1 3.42Å; D116-F193 VanDerWaalsContact OD1-CZ 3.27Å; D116-F193 WeakPolarHBondContact OD1-CZ 3.46Å
117G94.9Very high93.8Very high6 Ų654.2 Ų54.26%0.06234%0.336CS..  trans-64145.6179.400000113.1C115 Q132 L135C115-G117 VanDerWaalsContact C-N 3.33Å; G117-Q132 PolarHBondContact O-NE2 3.25Å; G117-Q132 VanDerWaalsContact O-NE2 3.11Å; G117-L135 VanDerWaalsContact C-CD2 3.42Å
118A92.9Very high93.8Very high49 Ų4952.1 Ų52.141%0.40531%0.312SS..  trans-143.1146.9168.900000109.7Q132 K156A118-Q132 VanDerWaalsContact CA-OE1 3.3Å; A118-K156 HydrophobicContact CB-CD 4.1Å
119P91.2Very high93.6Very high26 Ų2651.3 Ų51.317%0.16930%0.302CS..PPolyproline II helixtrans-68.1165.217232.5-35.5000110.7V121 M131P119-V121 PolarHBondContact O-N 2.85Å; P119-M131 HydrophobicContact CB-CB 3.86Å; P119-M131 HydrophobicContact CG-CB 3.74Å
120D88.9Confident93.3Very high159 Ų15955.3 Ų55.385%0.8531%0.31SS*.PPolyproline II helixtrans-62.2118.6167.2-73.4-39.9000109.4T122D120-T122 PolarHBondContact O-N 3.01Å
121V85.7Confident93.1Very high106 Ų10659.6 Ų59.664%0.64233%0.331SS*.PPolyproline II helixtrans-69.9119.3-177.2179.20000109.4P119 D128P119-V121 PolarHBondContact O-N 2.85Å; V121-D128 VanDerWaalsContact CG1-OD2 3.31Å; V121-D128 WeakPolarHBondContact CG1-OD2 3.03Å
122T89.5Confident93Very high85 Ų8559.4 Ų59.452%0.52133%0.33SS..  trans-83.7-22.3179.166.70000112.2D120 L124 D128D120-T122 PolarHBondContact O-N 3.01Å; T122-L124 VanDerWaalsContact C-N 3.28Å; T122-L124 PolarHBondContact OG1-N 2.63Å; T122-L124 VanDerWaalsContact OG1-N 3.15Å; T122-D128 WeakPolarHBondContact CB-OD1 3.25Å; T122-D128 PolarHBondContact N-OD1 3.29Å; T122-D128 PolarHBondContact N-OD2 3.43Å; T122-D128 PolarHBondContact OG1-OD1 2.74Å
123G88.4Confident92.7Very high50 Ų5060 Ų6052%0.51534%0.335SS..SBendtrans86.9-2-171.800000113.1D128G123-D128 PolarHBondContact N-OD2 2.79Å
124L92.1Very high92.4Very high113 Ų11362.8 Ų62.859%0.59235%0.348SS*.  trans-96.299.7170.9-59.2177.5000108.1T122 D126 V127 D128T122-L124 VanDerWaalsContact C-N 3.28Å; T122-L124 PolarHBondContact OG1-N 2.63Å; T122-L124 VanDerWaalsContact OG1-N 3.15Å; L124-D126 VanDerWaalsContact C-N 3.34Å; L124-D126 PolarHBondContact O-N 2.81Å; L124-V127 HydrophobicContact CB-CB 4.12Å; L124-V127 HydrophobicContact CB-CG2 4.02Å; L124-V127 HydrophobicContact CD1-CG2 4.31Å; L124-V127 PolarHBondContact O-N 2.84Å; L124-D128 PolarHBondContact O-N 2.77Å
125H89.1Confident92.1Very high132 Ų13264.6 Ų64.661%0.61136%0.358SS*.Hα-helixtrans-51.4-47.4-171-66.4-58.2000113.6V127 D128 E129H125-V127 VanDerWaalsContact C-N 3.3Å; H125-V127 PolarHBondContact O-N 3.39Å; H125-D128 PolarHBondContact O-N 3.18Å; H125-E129 WeakPolarHBondContact O-CB 3.49Å; H125-E129 VanDerWaalsContact O-CG 3.29Å; H125-E129 WeakPolarHBondContact O-CG 3.36Å; H125-E129 PolarHBondContact O-N 3.18Å
126D90.1Very high92Very high134 Ų13464.6 Ų64.672%0.71736%0.357SS*.Hα-helixtrans-61-38.3-179.6-59.3-17.3000112.6L124 Y130L124-D126 VanDerWaalsContact C-N 3.34Å; L124-D126 PolarHBondContact O-N 2.81Å; D126-Y130 WeakPolarHBondContact O-CB 3.14Å; D126-Y130 PolarHBondContact O-N 2.94Å; D126-Y130 VanDerWaalsContact O-N 3.11Å
127V91.7Very high91.7Very high66 Ų6664 Ų6440%0.435%0.354SS..Hα-helixtrans-72.4-43.9178.2179.80000110.3L124 H125 E129 Y130 M131L124-V127 HydrophobicContact CB-CB 4.12Å; L124-V127 HydrophobicContact CB-CG2 4.02Å; L124-V127 HydrophobicContact CD1-CG2 4.31Å; L124-V127 PolarHBondContact O-N 2.84Å; H125-V127 VanDerWaalsContact C-N 3.3Å; H125-V127 PolarHBondContact O-N 3.39Å; V127-E129 VanDerWaalsContact C-N 3.33Å; V127-E129 PolarHBondContact O-N 3.44Å; V127-Y130 PolarHBondContact O-N 3.39Å; V127-M131 HydrophobicContact CG1-CG 4.28Å; V127-M131 WeakPolarHBondContact O-CB 3.24Å; V127-M131 VanDerWaalsContact O-CG 3.24Å; V127-M131 WeakPolarHBondContact O-CG 3.25Å; V127-M131 PolarHBondContact O-N 2.86Å
128D92.7Very high91.7Very high8 Ų864.4 Ų64.44%0.04336%0.357CS..Hα-helixtrans-64.8-39-179.9-65.5-25.4000111.3V121 T122 G123 L124 H125 Q132 F158V121-D128 VanDerWaalsContact CG1-OD2 3.31Å; V121-D128 WeakPolarHBondContact CG1-OD2 3.03Å; T122-D128 WeakPolarHBondContact CB-OD1 3.25Å; T122-D128 PolarHBondContact N-OD1 3.29Å; T122-D128 PolarHBondContact N-OD2 3.43Å; T122-D128 PolarHBondContact OG1-OD1 2.74Å; G123-D128 PolarHBondContact N-OD2 2.79Å; L124-D128 PolarHBondContact O-N 2.77Å; H125-D128 PolarHBondContact O-N 3.18Å; D128-Q132 WeakPolarHBondContact O-CB 3.42Å; D128-Q132 PolarHBondContact O-N 3.36Å; D128-F158 HydrophobicContact CB-CE2 4.35Å
129E92.3Very high91.9Very high49 Ų4962.1 Ų62.123%0.22934%0.338CS..Hα-helixtrans-62.8-47.5173.3-74.9179.5-164.100111.8H125 V127 Q132 A133 F158 G160 I190H125-E129 WeakPolarHBondContact O-CB 3.49Å; H125-E129 VanDerWaalsContact O-CG 3.29Å; H125-E129 WeakPolarHBondContact O-CG 3.36Å; H125-E129 PolarHBondContact O-N 3.18Å; V127-E129 VanDerWaalsContact C-N 3.33Å; V127-E129 PolarHBondContact O-N 3.44Å; E129-Q132 PolarHBondContact O-N 3.28Å; E129-A133 WeakPolarHBondContact O-CB 3.46Å; E129-A133 PolarHBondContact O-N 3.25Å; E129-F158 HydrophobicContact CG-CB 4.28Å; E129-F158 HydrophobicContact CG-CD2 4.44Å; E129-G160 VanDerWaalsContact CD-CA 3.45Å; E129-G160 WeakPolarHBondContact OE2-CA 3.49Å; E129-I190 HydrophobicContact CG-CD1 4.16Å
130Y91.4Very high92.1Very high141 Ų14160.9 Ų60.955%0.55333%0.33SS*.Hα-helixtrans-60.3-46.4176.1175.7-97000112.1D126 V127 Q132 A133 Q134D126-Y130 WeakPolarHBondContact O-CB 3.14Å; D126-Y130 PolarHBondContact O-N 2.94Å; D126-Y130 VanDerWaalsContact O-N 3.11Å; V127-Y130 PolarHBondContact O-N 3.39Å; Y130-Q132 PolarHBondContact O-N 3.05Å; Y130-A133 WeakPolarHBondContact O-CB 3.47Å; Y130-A133 PolarHBondContact O-N 3.14Å; Y130-Q134 HydrophobicContact CD1-CG 4.26Å; Y130-Q134 HydrophobicContact CE1-CG 3.86Å; Y130-Q134 WeakPolarHBondContact O-CG 3.09Å; Y130-Q134 PolarHBondContact O-N 3.23Å; Y130-Q134 PolarHBondContact OH-NE2 3Å; Y130-Q134 VanDerWaalsContact OH-NE2 3.07Å
131M93.1Very high92.4Very high91 Ų9154.5 Ų54.545%0.44830%0.296SS..Hα-helixtrans-65.2-38.4179.8-69.7-64.1-68.600111.9P119 V127 A133 Q134 L135P119-M131 HydrophobicContact CB-CB 3.86Å; P119-M131 HydrophobicContact CG-CB 3.74Å; V127-M131 HydrophobicContact CG1-CG 4.28Å; V127-M131 WeakPolarHBondContact O-CB 3.24Å; V127-M131 VanDerWaalsContact O-CG 3.24Å; V127-M131 WeakPolarHBondContact O-CG 3.25Å; V127-M131 PolarHBondContact O-N 2.86Å; M131-A133 VanDerWaalsContact C-N 3.34Å; M131-Q134 PolarHBondContact O-N 3.48Å; M131-L135 PolarHBondContact O-N 3.19Å
132Q95.1Very high92.9Very high4 Ų449.4 Ų49.42%0.01927%0.265CS..Hα-helixtrans-64.6-39.6173.6-17667.643.300111.5G117 A118 D128 E129 Y130 L135 L136 K156 F158G117-Q132 PolarHBondContact O-NE2 3.25Å; G117-Q132 VanDerWaalsContact O-NE2 3.11Å; A118-Q132 VanDerWaalsContact CA-OE1 3.3Å; D128-Q132 WeakPolarHBondContact O-CB 3.42Å; D128-Q132 PolarHBondContact O-N 3.36Å; E129-Q132 PolarHBondContact O-N 3.28Å; Y130-Q132 PolarHBondContact O-N 3.05Å; Q132-L135 PolarHBondContact O-N 3Å; Q132-L136 PolarHBondContact O-N 2.85Å; Q132-K156 PolarHBondContact NE2-O 2.92Å; Q132-F158 HydrophobicContact CB-CD2 3.77Å; Q132-F158 HydrophobicContact CB-CE2 4.04Å; Q132-F158 HydrophobicContact CB-CG 4.06Å; Q132-F158 HydrophobicContact CG-CB 4.3Å; Q132-F158 HydrophobicContact CG-CD1 3.98Å; Q132-F158 HydrophobicContact CG-CD2 4.06Å; Q132-F158 HydrophobicContact CG-CE1 4.3Å; Q132-F158 HydrophobicContact CG-CE2 4.36Å; Q132-F158 HydrophobicContact CG-CG 3.85Å; Q132-F158 HydrophobicContact CG-CZ 4.47Å
133A93.1Very high93.2Very high13 Ų1345.4 Ų45.411%0.10724%0.24CC..Hα-helixtrans-62.4-43.1175.100000112.2E129 Y130 M131 L135 L136 L137 L166E129-A133 WeakPolarHBondContact O-CB 3.46Å; E129-A133 PolarHBondContact O-N 3.25Å; Y130-A133 WeakPolarHBondContact O-CB 3.47Å; Y130-A133 PolarHBondContact O-N 3.14Å; M131-A133 VanDerWaalsContact C-N 3.34Å; A133-L135 VanDerWaalsContact C-N 3.32Å; A133-L135 PolarHBondContact O-N 2.85Å; A133-L136 WeakPolarHBondContact O-CB 3.42Å; A133-L136 PolarHBondContact O-N 2.75Å; A133-L137 WeakPolarHBondContact O-CG 3.38Å; A133-L137 PolarHBondContact O-N 3.14Å; A133-L166 HydrophobicContact CB-CD1 4.15Å; A133-L166 HydrophobicContact CB-CD2 3.86Å
134Q92.2Very high93.6Very high58 Ų5843.4 Ų43.427%0.27122%0.218SC..Hα-helixtrans-59.8-43.6174-67.9-62.6-21.600111.8Y130 M131 L137 A138Y130-Q134 HydrophobicContact CD1-CG 4.26Å; Y130-Q134 HydrophobicContact CE1-CG 3.86Å; Y130-Q134 WeakPolarHBondContact O-CG 3.09Å; Y130-Q134 PolarHBondContact O-N 3.23Å; Y130-Q134 PolarHBondContact OH-NE2 3Å; Y130-Q134 VanDerWaalsContact OH-NE2 3.07Å; M131-Q134 PolarHBondContact O-N 3.48Å; Q134-L137 PolarHBondContact O-N 2.81Å; Q134-A138 PolarHBondContact O-N 2.84Å
135L94.3Very high93.7Very high38 Ų3840.3 Ų40.320%0.19920%0.201CC..Hα-helixtrans-64.4-40.9178.4-170.567.2000112.1I92 G117 M131 Q132 A133 L137 A138 A139I92-L135 HydrophobicContact CD1-CD1 3.89Å; G117-L135 VanDerWaalsContact C-CD2 3.42Å; M131-L135 PolarHBondContact O-N 3.19Å; Q132-L135 PolarHBondContact O-N 3Å; A133-L135 VanDerWaalsContact C-N 3.32Å; A133-L135 PolarHBondContact O-N 2.85Å; L135-L137 VanDerWaalsContact C-N 3.31Å; L135-L137 PolarHBondContact O-N 3.49Å; L135-A138 PolarHBondContact O-N 2.9Å; L135-A139 WeakPolarHBondContact O-CB 3.34Å; L135-A139 PolarHBondContact O-N 2.8Å
136L95.2Very high94.1Very high3 Ų334.1 Ų34.12%0.01617%0.172CC..Hα-helixtrans-57.9-44.5173.9174.868.3000111.2Q132 A133 A139 L140 F153 A155 I157 L166Q132-L136 PolarHBondContact O-N 2.85Å; A133-L136 WeakPolarHBondContact O-CB 3.42Å; A133-L136 PolarHBondContact O-N 2.75Å; L136-A139 PolarHBondContact O-N 3.39Å; L136-L140 WeakPolarHBondContact O-CB 3.27Å; L136-L140 PolarHBondContact O-N 2.73Å; L136-F153 HydrophobicContact CD1-CE1 4.04Å; L136-F153 HydrophobicContact CD1-CZ 4.2Å; L136-A155 HydrophobicContact CD1-CB 3.41Å; L136-A155 VanDerWaalsContact CD1-CB 3.41Å; L136-I157 HydrophobicContact CD1-CG2 3.97Å; L136-I157 HydrophobicContact CD2-CG2 3.7Å; L136-I157 HydrophobicContact CG-CG2 4.39Å; L136-L166 HydrophobicContact CD2-CB 4.01Å; L136-L166 HydrophobicContact CD2-CD1 3.89Å; L136-L166 HydrophobicContact CD2-CD2 4.21Å; L136-L166 HydrophobicContact CD2-CG 4.26Å
137L92.9Very high94.5Very high13 Ų1328.2 Ų28.27%0.06814%0.141CC..Hα-helixtrans-72.7-36.4-177.6-68.4169.7000112.8A133 Q134 L135 A139 L140 N141 L213 L214A133-L137 WeakPolarHBondContact O-CG 3.38Å; A133-L137 PolarHBondContact O-N 3.14Å; Q134-L137 PolarHBondContact O-N 2.81Å; L135-L137 VanDerWaalsContact C-N 3.31Å; L135-L137 PolarHBondContact O-N 3.49Å; L137-A139 VanDerWaalsContact C-N 3.3Å; L137-A139 PolarHBondContact O-N 2.85Å; L137-L140 HydrophobicContact CD2-CD2 4.17Å; L137-L140 PolarHBondContact O-N 2.78Å; L137-N141 VanDerWaalsContact O-CB 3.3Å; L137-N141 WeakPolarHBondContact O-CB 3.41Å; L137-N141 PolarHBondContact O-N 2.7Å; L137-L213 HydrophobicContact CD2-CB 4.29Å; L137-L213 HydrophobicContact CD2-CD1 4.22Å; L137-L214 HydrophobicContact CD1-CB 4.34Å; L137-L214 HydrophobicContact CD1-CD1 3.2Å; L137-L214 HydrophobicContact CD1-CD2 4.12Å; L137-L214 HydrophobicContact CD1-CG 3.25Å
138A94Very high94.8Very high15 Ų1528.4 Ų28.412%0.12414%0.136CC..Hα-helixtrans-59.2-45.1169.500000110.7I92 T93 Q134 L135 N141 I142I92-A138 HydrophobicContact CD1-CB 4.08Å; I92-A138 HydrophobicContact CG1-CB 4.14Å; T93-A138 HydrophobicContact CG2-CB 3.96Å; Q134-A138 PolarHBondContact O-N 2.84Å; L135-A138 PolarHBondContact O-N 2.9Å; A138-N141 PolarHBondContact O-N 2.87Å; A138-I142 PolarHBondContact O-N 3.23Å
139A96.9Very high95Very high0 Ų033.1 Ų33.10%017%0.167CC..Hα-helixtrans-64.3-42.9176.800000112.6L48 I92 C115 L135 L136 L137 N141 I142 A143 F153L48-A139 HydrophobicContact CD1-CB 3.89Å; I92-A139 HydrophobicContact CD1-CB 4.19Å; C115-A139 HydrophobicContact CB-CB 4.15Å; L135-A139 WeakPolarHBondContact O-CB 3.34Å; L135-A139 PolarHBondContact O-N 2.8Å; L136-A139 PolarHBondContact O-N 3.39Å; L137-A139 VanDerWaalsContact C-N 3.3Å; L137-A139 PolarHBondContact O-N 2.85Å; A139-N141 VanDerWaalsContact C-N 3.32Å; A139-N141 PolarHBondContact O-N 3.21Å; A139-I142 PolarHBondContact O-N 3.29Å; A139-A143 WeakPolarHBondContact O-CB 3.32Å; A139-A143 PolarHBondContact O-N 2.83Å; A139-F153 HydrophobicContact CB-CE2 4.13Å; A139-F153 HydrophobicContact CB-CZ 3.95Å
140L95.9Very high95.3Very high1 Ų133 Ų331%0.00518%0.18CC..Hα-helixtrans-59.6-44.1173.6174.160.3000110.8L136 L137 A143 T144 F153 L170 F173 F174 L213L136-L140 WeakPolarHBondContact O-CB 3.27Å; L136-L140 PolarHBondContact O-N 2.73Å; L137-L140 HydrophobicContact CD2-CD2 4.17Å; L137-L140 PolarHBondContact O-N 2.78Å; L140-A143 CarbonylContact O-C 3.43Å; L140-A143 WeakPolarHBondContact O-CA 3.26Å; L140-A143 VanDerWaalsContact O-CB 3.26Å; L140-A143 WeakPolarHBondContact O-CB 3.41Å; L140-A143 PolarHBondContact O-N 3.07Å; L140-T144 HydrophobicContact CD1-CG2 4.39Å; L140-T144 VanDerWaalsContact O-CG2 3.31Å; L140-T144 WeakPolarHBondContact O-CG2 3.42Å; L140-T144 PolarHBondContact O-N 3.45Å; L140-F153 HydrophobicContact CB-CE1 4.18Å; L140-F153 HydrophobicContact CB-CZ 4.31Å; L140-F153 HydrophobicContact CD1-CD1 4.34Å; L140-F153 HydrophobicContact CD1-CE1 4.31Å; L140-L170 HydrophobicContact CD1-CD2 3.94Å; L140-L170 HydrophobicContact CD2-CD2 3.89Å; L140-L170 HydrophobicContact CG-CD2 4.39Å; L140-F173 HydrophobicContact CD2-CD2 4.31Å; L140-F174 HydrophobicContact CD1-CE2 3.67Å; L140-F174 HydrophobicContact CD1-CZ 4.39Å; L140-L213 HydrophobicContact CD2-CD1 3.79Å
141N94.1Very high95.6Very high24 Ų2426.4 Ų26.413%0.12815%0.154CC..Hα-helixtrans-62.5-48-178.9-156.2-20.1000111L137 A138 A139 A143 T144 H145 D208 L209L137-N141 VanDerWaalsContact O-CB 3.3Å; L137-N141 WeakPolarHBondContact O-CB 3.41Å; L137-N141 PolarHBondContact O-N 2.7Å; A138-N141 PolarHBondContact O-N 2.87Å; A139-N141 VanDerWaalsContact C-N 3.32Å; A139-N141 PolarHBondContact O-N 3.21Å; N141-A143 VanDerWaalsContact C-N 3.26Å; N141-A143 PolarHBondContact O-N 2.67Å; N141-T144 PolarHBondContact O-N 3.08Å; N141-T144 VanDerWaalsContact O-N 3.08Å; N141-T144 PolarHBondContact O-OG1 2.92Å; N141-H145 PolarHBondContact O-CD2 3.24Å; N141-H145 VanDerWaalsContact O-CD2 3.3Å; N141-H145 PolarHBondContact O-N 3.44Å; N141-D208 PolarHBondContact ND2-O 3.08Å; N141-L209 HydrophobicContact CB-CD2 3.91Å; N141-L209 WeakPolarHBondContact ND2-CA 3.14Å
142I96Very high95.9Very high0 Ų023.1 Ų23.10%014%0.139CC..Hα-helixtrans-54.8-44.9169.9-65.6-63.7000110.9L48 I92 A98 I101 A138 A139 T144 H145 V146 L209L48-I142 HydrophobicContact CD1-CB 4.07Å; L48-I142 HydrophobicContact CD1-CG2 3.97Å; L48-I142 HydrophobicContact CD2-CG2 3.98Å; I92-I142 HydrophobicContact CB-CG1 4.12Å; I92-I142 VanDerWaalsContact O-CD1 3.31Å; I92-I142 WeakPolarHBondContact O-CD1 3.46Å; I92-I142 WeakPolarHBondContact O-CG1 3.38Å; A98-I142 HydrophobicContact CB-CD1 3.69Å; I101-I142 HydrophobicContact CD1-CG2 3.76Å; A138-I142 PolarHBondContact O-N 3.23Å; A139-I142 PolarHBondContact O-N 3.29Å; I142-T144 VanDerWaalsContact C-N 3.28Å; I142-T144 PolarHBondContact O-N 3.11Å; I142-H145 WeakPolarHBondContact O-CB 3.35Å; I142-H145 PolarHBondContact O-N 3.2Å; I142-V146 HydrophobicContact CG2-CG1 4.42Å; I142-V146 HydrophobicContact CG2-CG2 4.45Å; I142-V146 WeakPolarHBondContact O-CG2 3.49Å; I142-V146 PolarHBondContact O-N 3.02Å; I142-L209 HydrophobicContact CD1-CD1 4.41Å
143A97.1Very high96.1Very high0 Ų022.9 Ų22.90%014%0.139CC..Hα-helixtrans-57.6-40.4178.400000111.8V113 A139 L140 N141 H145 V146 L147 F153V113-A143 HydrophobicContact CB-CB 4.23Å; V113-A143 HydrophobicContact CG1-CB 4.11Å; V113-A143 HydrophobicContact CG2-CB 4.24Å; A139-A143 WeakPolarHBondContact O-CB 3.32Å; A139-A143 PolarHBondContact O-N 2.83Å; L140-A143 CarbonylContact O-C 3.43Å; L140-A143 WeakPolarHBondContact O-CA 3.26Å; L140-A143 VanDerWaalsContact O-CB 3.26Å; L140-A143 WeakPolarHBondContact O-CB 3.41Å; L140-A143 PolarHBondContact O-N 3.07Å; N141-A143 VanDerWaalsContact C-N 3.26Å; N141-A143 PolarHBondContact O-N 2.67Å; A143-H145 PolarHBondContact O-N 3.46Å; A143-V146 PolarHBondContact O-N 3.21Å; A143-V146 VanDerWaalsContact O-N 3.16Å; A143-L147 HydrophobicContact CB-CD1 3.77Å; A143-L147 HydrophobicContact CB-CG 4.24Å; A143-L147 VanDerWaalsContact O-CB 3.23Å; A143-L147 WeakPolarHBondContact O-CB 3.43Å; A143-L147 WeakPolarHBondContact O-CG 3.35Å; A143-L147 PolarHBondContact O-N 3.48Å; A143-F153 HydrophobicContact CB-CD2 3.86Å; A143-F153 HydrophobicContact CB-CE2 4.16Å; A143-F153 HydrophobicContact CB-CG 4.31Å
144T95.7Very high96.3Very high9 Ų922.3 Ų22.36%0.05513%0.133CC..Hα-helixtrans-64-27.6177.771.50000114L140 N141 I142 F173 Y199 F205 P207L140-T144 HydrophobicContact CD1-CG2 4.39Å; L140-T144 VanDerWaalsContact O-CG2 3.31Å; L140-T144 WeakPolarHBondContact O-CG2 3.42Å; L140-T144 PolarHBondContact O-N 3.45Å; N141-T144 PolarHBondContact O-N 3.08Å; N141-T144 VanDerWaalsContact O-N 3.08Å; N141-T144 PolarHBondContact O-OG1 2.92Å; I142-T144 VanDerWaalsContact C-N 3.28Å; I142-T144 PolarHBondContact O-N 3.11Å; T144-F173 HydrophobicContact CG2-CD1 4.33Å; T144-F173 HydrophobicContact CG2-CE1 4.44Å; T144-Y199 VanDerWaalsContact CA-OH 3.26Å; T144-Y199 WeakPolarHBondContact CA-OH 3.37Å; T144-Y199 WeakPolarHBondContact CB-OH 3.15Å; T144-Y199 HydrophobicContact CG2-CE2 4.3Å; T144-Y199 PolarHBondContact O-OH 2.78Å; T144-Y199 VanDerWaalsContact O-OH 3.1Å; T144-F205 HydrophobicContact CG2-CE1 4.25Å; T144-P207 WeakPolarHBondContact O-CG 3.42Å
145H95.1Very high96.6Very high47 Ų4719.6 Ų19.622%0.21812%0.121CC..Hα-helixtrans-79.6-28.2175.7-78.1-79.5000113.5A98 N141 I142 A143 P207A98-H145 HydrophobicContact CB-CB 4.22Å; N141-H145 PolarHBondContact O-CD2 3.24Å; N141-H145 VanDerWaalsContact O-CD2 3.3Å; N141-H145 PolarHBondContact O-N 3.44Å; I142-H145 WeakPolarHBondContact O-CB 3.35Å; I142-H145 PolarHBondContact O-N 3.2Å; A143-H145 PolarHBondContact O-N 3.46Å; H145-P207 WeakPolarHBondContact CE1-CB 3.27Å; H145-P207 PolarHBondContact CE1-O 3.46Å; H145-P207 WeakPolarHBondContact ND1-CB 2.79Å
146V96.9Very high96.8Very high3 Ų318.4 Ų18.42%0.01811%0.114CC..Hα-helixtrans-115.8-20.8-167.3-51.20000114V46 I101 I102 P109 A110 V113 I142 A143V46-V146 HydrophobicContact CG2-CG2 4.23Å; I101-V146 HydrophobicContact CB-CG1 4.31Å; I101-V146 HydrophobicContact CG2-CB 4.41Å; I101-V146 HydrophobicContact CG2-CG1 3.96Å; I102-V146 HydrophobicContact CD1-CG1 4.45Å; I102-V146 HydrophobicContact CG1-CG1 3.97Å; P109-V146 CarbonylContact C-O 3.55Å; P109-V146 VanDerWaalsContact CA-O 3.27Å; P109-V146 WeakPolarHBondContact CA-O 3.48Å; P109-V146 WeakPolarHBondContact CB-O 3.35Å; A110-V146 HydrophobicContact CB-CG2 4.43Å; A110-V146 PolarHBondContact N-O 2.78Å; V113-V146 HydrophobicContact CG2-CG2 3.61Å; I142-V146 HydrophobicContact CG2-CG1 4.42Å; I142-V146 HydrophobicContact CG2-CG2 4.45Å; I142-V146 WeakPolarHBondContact O-CG2 3.49Å; I142-V146 PolarHBondContact O-N 3.02Å; A143-V146 PolarHBondContact O-N 3.21Å; A143-V146 VanDerWaalsContact O-N 3.16Å
147L98.2Very high96.9Very high10 Ų1018.4 Ų18.45%0.05211%0.114CC..EExtended strand (participates in β ladder)trans-75.5144.1-178.7-79.3174.8000112.7V113 A143 C152 F153 F174 Y199V113-L147 HydrophobicContact CB-CD2 4.23Å; V113-L147 HydrophobicContact CB-CG 4.4Å; V113-L147 HydrophobicContact CG2-CD1 4.32Å; V113-L147 HydrophobicContact CG2-CD2 3.57Å; V113-L147 HydrophobicContact CG2-CG 3.67Å; A143-L147 HydrophobicContact CB-CD1 3.77Å; A143-L147 HydrophobicContact CB-CG 4.24Å; A143-L147 VanDerWaalsContact O-CB 3.23Å; A143-L147 WeakPolarHBondContact O-CB 3.43Å; A143-L147 WeakPolarHBondContact O-CG 3.35Å; A143-L147 PolarHBondContact O-N 3.48Å; L147-C152 WeakPolarHBondContact CD2-O 3.23Å; L147-F153 HydrophobicContact CD1-CB 4.1Å; L147-F174 HydrophobicContact CD1-CE1 4.02Å; L147-F174 HydrophobicContact CD1-CZ 3.91Å; L147-Y199 HydrophobicContact CB-CD1 3.76Å; L147-Y199 HydrophobicContact CB-CE1 4.11Å; L147-Y199 HydrophobicContact CB-CG 4.09Å; L147-Y199 HydrophobicContact CD1-CD2 4.46Å; L147-Y199 HydrophobicContact CD1-CG 4.33Å
148K97.8Very high97Very high69 Ų6919.1 Ų19.130%0.312%0.117SC..EExtended strand (participates in β ladder)trans-76.9152.3167.272.1177.6-175.1-174.30110.2P109 A110 D111 G150 G151 Y199P109-K148 HydrophobicContact CB-CB 3.81Å; P109-K148 HydrophobicContact CG-CB 3.68Å; A110-K148 WeakPolarHBondContact O-CG 3.3Å; A110-K148 PolarHBondContact O-N 2.96Å; D111-K148 VanDerWaalsContact OD1-CD 3.24Å; D111-K148 WeakPolarHBondContact OD1-CD 3.41Å; D111-K148 WeakPolarHBondContact OD1-CE 3.2Å; D111-K148 IonicContact OD1-NZ 3.74Å; D111-K148 PolarHBondContact OD1-NZ 3.41Å; K148-G150 PolarHBondContact O-N 2.74Å; K148-G151 WeakPolarHBondContact O-CA 3.2Å; K148-G151 PolarHBondContact O-N 2.77Å; K148-Y199 WeakPolarHBondContact O-CD1 3.38Å
149P98Very high96.9Very high107 Ų10723.1 Ų23.170%0.69513%0.129SC*.EExtended strand (participates in β ladder)trans-51.5133.6163.9-25.835.2000111.2G151 Y199P149-G151 VanDerWaalsContact C-N 3.3Å; P149-Y199 CarbonylContact C-O 3.47Å; P149-Y199 WeakPolarHBondContact CA-O 3.28Å
150G98.1Very high96.5Very high48 Ų4823.9 Ų23.950%0.49514%0.137SC..EExtended strand (participates in β ladder)trans81-1.2-172.800000115.2K148 Y199K148-G150 PolarHBondContact O-N 2.74Å; G150-Y199 PolarHBondContact N-O 2.96Å
151G98.5Very high95.9Very high1 Ų134 Ų341%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-69.1172.2179.200000114.3D111 K148 P149 G198 Y199D111-G151 WeakPolarHBondContact O-CA 3.46Å; K148-G151 WeakPolarHBondContact O-CA 3.2Å; K148-G151 PolarHBondContact O-N 2.77Å; P149-G151 VanDerWaalsContact C-N 3.3Å; G151-G198 PolarHBondContact O-N 2.82Å; G151-Y199 PolarHBondContact O-N 2.81Å
152C98.8Very high95.3Very high22 Ų2236.6 Ų36.615%0.14919%0.189CC..EExtended strand (participates in β ladder)trans-115.4144.1-177.6-66.80000112.2D111 L112 V113 L147 C196D111-C152 PolarHBondContact O-N 2.85Å; L112-C152 WeakPolarHBondContact CA-O 3.31Å; L112-C152 HydrophobicContact CD1-CB 3.67Å; V113-C152 PolarHBondContact N-O 3.04Å; L147-C152 WeakPolarHBondContact CD2-O 3.23Å; C152-C196 CarbonylContact C-O 3.59Å; C152-C196 WeakPolarHBondContact CA-O 3.43Å
153F98.8Very high95Very high0 Ų037.5 Ų37.50%019%0.194CC..EExtended strand (participates in β ladder)trans-127.9127.5172.9175.3-121.3000110.4V113 L136 A139 L140 A143 L147 A155 L170 F174 C196V113-F153 HydrophobicContact CB-CD2 3.98Å; V113-F153 HydrophobicContact CG1-CD2 3.81Å; V113-F153 HydrophobicContact CG1-CE2 4.03Å; V113-F153 CarbonylContact O-C 3.59Å; V113-F153 VanDerWaalsContact O-CA 3.31Å; V113-F153 WeakPolarHBondContact O-CA 3.23Å; L136-F153 HydrophobicContact CD1-CE1 4.04Å; L136-F153 HydrophobicContact CD1-CZ 4.2Å; A139-F153 HydrophobicContact CB-CE2 4.13Å; A139-F153 HydrophobicContact CB-CZ 3.95Å; L140-F153 HydrophobicContact CB-CE1 4.18Å; L140-F153 HydrophobicContact CB-CZ 4.31Å; L140-F153 HydrophobicContact CD1-CD1 4.34Å; L140-F153 HydrophobicContact CD1-CE1 4.31Å; A143-F153 HydrophobicContact CB-CD2 3.86Å; A143-F153 HydrophobicContact CB-CE2 4.16Å; A143-F153 HydrophobicContact CB-CG 4.31Å; L147-F153 HydrophobicContact CD1-CB 4.1Å; F153-A155 HydrophobicContact CE1-CB 3.78Å; F153-A155 HydrophobicContact CE2-CB 3.93Å; F153-A155 HydrophobicContact CZ-CB 3.39Å; F153-L170 HydrophobicContact CD1-CD2 4.06Å; F153-L170 HydrophobicContact CE1-CD2 3.94Å; F153-F174 HydrophobicContact CB-CE1 3.76Å; F153-F174 HydrophobicContact CB-CE2 4.15Å; F153-F174 HydrophobicContact CB-CZ 3.38Å; F153-F174 HydrophobicContact CD1-CE2 4.26Å; F153-F174 HydrophobicContact CD1-CZ 4.27Å; F153-F174 HydrophobicContact CG-CZ 4.15Å; F153-C196 HydrophobicContact CB-CB 4.2Å; F153-C196 PolarHBondContact N-O 3.19Å; F153-C196 WeakPolarHBondContact O-CA 3.45Å; F153-C196 WeakPolarHBondContact O-CB 3.28Å; F153-C196 PolarHBondContact O-N 2.89Å
154V98.9Very high94.6Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-128.3120178.1-178.60000109.9L32 L38 W55 L112 V113 V114 C115 F193 A194 V195L32-V154 HydrophobicContact CD1-CG1 4Å; L38-V154 HydrophobicContact CD1-CG2 3.89Å; L38-V154 HydrophobicContact CD2-CG2 3.85Å; W55-V154 HydrophobicContact CH2-CG1 4.48Å; L112-V154 HydrophobicContact CD1-CG2 4.48Å; V113-V154 PolarHBondContact O-N 2.92Å; V114-V154 CarbonylContact C-O 3.53Å; V114-V154 WeakPolarHBondContact CA-O 3.33Å; V114-V154 HydrophobicContact CG1-CB 4.26Å; C115-V154 PolarHBondContact N-O 2.82Å; V154-F193 HydrophobicContact CG1-CB 4.4Å; V154-F193 HydrophobicContact CG1-CD1 4.4Å; V154-A194 VanDerWaalsContact CA-O 3.3Å; V154-A194 WeakPolarHBondContact CA-O 3.41Å; V154-V195 HydrophobicContact CG1-CG2 4.2Å; V154-V195 HydrophobicContact CG2-CG1 4.23Å; V154-V195 HydrophobicContact CG2-CG2 4.39Å
155A98.6Very high94.3Very high1 Ų139.9 Ų39.91%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-141146.3-176.800000112.9C115 L136 F153 F193 A194C115-A155 HydrophobicContact CB-CB 4.01Å; C115-A155 CarbonylContact O-C 3.58Å; C115-A155 VanDerWaalsContact O-CA 3.3Å; C115-A155 WeakPolarHBondContact O-CA 3.23Å; L136-A155 HydrophobicContact CD1-CB 3.41Å; L136-A155 VanDerWaalsContact CD1-CB 3.41Å; F153-A155 HydrophobicContact CE1-CB 3.78Å; F153-A155 HydrophobicContact CE2-CB 3.93Å; F153-A155 HydrophobicContact CZ-CB 3.39Å; A155-F193 CarbonylContact O-C 3.56Å; A155-F193 VanDerWaalsContact O-CA 3.25Å; A155-F193 WeakPolarHBondContact O-CA 3.35Å; A155-A194 PolarHBondContact N-O 3.32Å; A155-A194 PolarHBondContact O-N 3.45Å
156K98.2Very high94.1Very high14 Ų1438.4 Ų38.46%0.06120%0.201CC..EExtended strand (participates in β ladder)trans-64.2136.1172.9-174.8-174.7-65.5163.30110.7C115 D116 A118 Q132 F158 E191 A192 F193C115-K156 PolarHBondContact O-N 2.83Å; D116-K156 WeakPolarHBondContact O-CE 3.31Å; D116-K156 PolarHBondContact O-NZ 2.85Å; D116-K156 WeakPolarHBondContact OD1-CE 3.45Å; D116-K156 IonicContact OD1-NZ 3.14Å; D116-K156 PolarHBondContact OD1-NZ 2.75Å; D116-K156 VanDerWaalsContact OD1-NZ 3.08Å; A118-K156 HydrophobicContact CB-CD 4.1Å; Q132-K156 PolarHBondContact NE2-O 2.92Å; K156-F158 HydrophobicContact CD-CE1 4.3Å; K156-E191 HydrophobicContact CD-CG 3.79Å; K156-E191 VanDerWaalsContact CE-CD 3.46Å; K156-E191 WeakPolarHBondContact CE-OE2 3.44Å; K156-E191 HydrophobicContact CG-CG 3.7Å; K156-E191 IonicContact NZ-OE2 3.11Å; K156-A192 WeakPolarHBondContact CA-O 3.26Å; K156-F193 HydrophobicContact CB-CD1 4.27Å; K156-F193 HydrophobicContact CB-CE1 3.88Å; K156-F193 HydrophobicContact CB-CZ 4.42Å; K156-F193 HydrophobicContact CG-CE1 4.45Å
157I96.5Very high93.9Very high2 Ų238.8 Ų38.81%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-131.3156.7172.667.1175.2000109.8L136 R159 V163 Y167 E191 A192 A194L136-I157 HydrophobicContact CD1-CG2 3.97Å; L136-I157 HydrophobicContact CD2-CG2 3.7Å; L136-I157 HydrophobicContact CG-CG2 4.39Å; I157-R159 HydrophobicContact CD1-CG 4.47Å; I157-V163 HydrophobicContact CD1-CG2 3.98Å; I157-Y167 HydrophobicContact CD1-CE1 3.63Å; I157-E191 WeakPolarHBondContact O-CA 3.43Å; I157-A192 HydrophobicContact CG1-CB 4.12Å; I157-A192 PolarHBondContact N-O 3.26Å; I157-A192 PolarHBondContact O-N 3.47Å; I157-A192 VanDerWaalsContact O-O 3.09Å; I157-A194 HydrophobicContact CD1-CB 4.4Å; I157-A194 HydrophobicContact CG2-CB 3.9Å
158F95Very high93.6Very high29 Ų2940.2 Ų40.213%0.12721%0.213CC..EExtended strand (participates in β ladder)trans-99.4126.1162.8-71-7.3000108.2D128 E129 Q132 K156 G160 I190 E191D128-F158 HydrophobicContact CB-CE2 4.35Å; E129-F158 HydrophobicContact CG-CB 4.28Å; E129-F158 HydrophobicContact CG-CD2 4.44Å; Q132-F158 HydrophobicContact CB-CD2 3.77Å; Q132-F158 HydrophobicContact CB-CE2 4.04Å; Q132-F158 HydrophobicContact CB-CG 4.06Å; Q132-F158 HydrophobicContact CG-CB 4.3Å; Q132-F158 HydrophobicContact CG-CD1 3.98Å; Q132-F158 HydrophobicContact CG-CD2 4.06Å; Q132-F158 HydrophobicContact CG-CE1 4.3Å; Q132-F158 HydrophobicContact CG-CE2 4.36Å; Q132-F158 HydrophobicContact CG-CG 3.85Å; Q132-F158 HydrophobicContact CG-CZ 4.47Å; K156-F158 HydrophobicContact CD-CE1 4.3Å; F158-G160 PolarHBondContact O-N 2.89Å; F158-I190 HydrophobicContact CB-CD1 3.78Å; F158-I190 HydrophobicContact CB-CG1 4.03Å; F158-I190 HydrophobicContact CD1-CG1 4.38Å; F158-I190 HydrophobicContact CD2-CD1 4.23Å; F158-I190 HydrophobicContact CG-CD1 4.05Å; F158-I190 HydrophobicContact CG-CG1 4.09Å; F158-E191 HydrophobicContact CD1-CB 4.43Å; F158-E191 HydrophobicContact CE1-CB 4.38Å
159R92.6Very high93.3Very high98 Ų9837.5 Ų37.537%0.3720%0.201SC..  trans-78.562.6176.8-70.3176.560.890.5-4.6110.5I157 Y167 C179 I190 A192 F235I157-R159 HydrophobicContact CD1-CG 4.47Å; R159-Y167 PolarHBondContact NH1-OH 3.39Å; R159-C179 PolarHBondContact NH1-SG 3.03Å; R159-I190 PolarHBondContact N-O 2.8Å; R159-A192 HydrophobicContact CG-CB 3.82Å; R159-F235 VanDerWaalsContact CZ-CD2 3.42Å
160G88Confident93.2Very high16 Ų1632.5 Ų32.517%0.16517%0.169CC..  trans-77.1-171.317400000113E129 F158 D162E129-G160 VanDerWaalsContact CD-CA 3.45Å; E129-G160 WeakPolarHBondContact OE2-CA 3.49Å; F158-G160 PolarHBondContact O-N 2.89Å; G160-D162 VanDerWaalsContact C-N 3.35Å; G160-D162 PolarHBondContact O-N 2.98Å
161R83.4Confident93Very high213 Ų21333.7 Ų33.780%0.80416%0.162SC*.THydrogen-bonded Turntrans-61.1-41.4-176.1-166.6179.6-149.81634113
162D81.3Confident92.8Very high80 Ų8037.3 Ų37.343%0.42818%0.183SC..THydrogen-bonded Turntrans-104.924.1-170.5-56.3-40000113G160 T164 L165G160-D162 VanDerWaalsContact C-N 3.35Å; G160-D162 PolarHBondContact O-N 2.98Å; D162-T164 PolarHBondContact O-N 2.89Å; D162-T164 VanDerWaalsContact O-N 3.12Å; D162-L165 WeakPolarHBondContact O-CB 3.49Å; D162-L165 PolarHBondContact O-N 2.84Å; D162-L165 VanDerWaalsContact O-N 3.13Å
163V89.3Confident92.7Very high18 Ų1836.4 Ų36.411%0.10918%0.177CC..Hα-helixtrans-60.1-24.9-17871.10000113.4I157 L166 Y167I157-V163 HydrophobicContact CD1-CG2 3.98Å; V163-L166 WeakPolarHBondContact O-CB 3.22Å; V163-L166 PolarHBondContact O-N 2.85Å; V163-Y167 HydrophobicContact CB-CE2 4.41Å; V163-Y167 HydrophobicContact CG1-CE2 3.84Å; V163-Y167 HydrophobicContact CG2-CE1 3.87Å; V163-Y167 HydrophobicContact CG2-CE2 3.91Å; V163-Y167 VanDerWaalsContact CG2-CZ 3.46Å; V163-Y167 WeakPolarHBondContact CG2-OH 3.46Å; V163-Y167 PolarHBondContact O-N 3.22Å; V163-Y167 VanDerWaalsContact O-N 3.07Å
164T89.4Confident92.6Very high33 Ų3336.8 Ų36.820%0.20218%0.179CC..Hα-helixtrans-64.2-34.5176.542.40000113.2D162 L166 Y167 S168 Y218 N223D162-T164 PolarHBondContact O-N 2.89Å; D162-T164 VanDerWaalsContact O-N 3.12Å; T164-L166 VanDerWaalsContact C-N 3.31Å; T164-L166 PolarHBondContact O-N 2.96Å; T164-Y167 WeakPolarHBondContact O-CB 3.37Å; T164-Y167 PolarHBondContact O-N 3.47Å; T164-S168 PolarHBondContact O-N 2.81Å; T164-S168 PolarHBondContact O-OG 2.58Å; T164-Y218 PolarHBondContact OG1-OH 3.25Å; T164-N223 VanDerWaalsContact CB-OD1 3.26Å; T164-N223 WeakPolarHBondContact CB-OD1 3.18Å; T164-N223 VanDerWaalsContact CG2-OD1 3.23Å; T164-N223 WeakPolarHBondContact CG2-OD1 3.33Å; T164-N223 PolarHBondContact OG1-OD1 3.04Å
165L88.2Confident92.6Very high26 Ų2641.4 Ų41.414%0.13621%0.211CC..Hα-helixtrans-59-45.6171.1171.758.8000110.6D162 Y167 S168 Q169 L214 Y218D162-L165 WeakPolarHBondContact O-CB 3.49Å; D162-L165 PolarHBondContact O-N 2.84Å; D162-L165 VanDerWaalsContact O-N 3.13Å; L165-Y167 VanDerWaalsContact C-N 3.29Å; L165-Y167 PolarHBondContact O-N 3.35Å; L165-S168 PolarHBondContact O-N 3.01Å; L165-Q169 HydrophobicContact CD1-CG 4.22Å; L165-Q169 WeakPolarHBondContact O-CG 3.35Å; L165-Q169 PolarHBondContact O-N 2.73Å; L165-L214 HydrophobicContact CD2-CD2 4.03Å; L165-Y218 HydrophobicContact CB-CD1 4.18Å; L165-Y218 HydrophobicContact CB-CD2 3.84Å; L165-Y218 HydrophobicContact CB-CE1 4.23Å; L165-Y218 HydrophobicContact CB-CE2 3.87Å; L165-Y218 HydrophobicContact CB-CG 3.99Å; L165-Y218 HydrophobicContact CD1-CD2 3.62Å; L165-Y218 HydrophobicContact CD1-CE2 4.29Å; L165-Y218 HydrophobicContact CD1-CG 4.01Å; L165-Y218 HydrophobicContact CD2-CD1 4.42Å; L165-Y218 HydrophobicContact CD2-CD2 4.42Å; L165-Y218 HydrophobicContact CD2-CG 3.99Å; L165-Y218 HydrophobicContact CG-CD2 4.14Å; L165-Y218 HydrophobicContact CG-CG 4.2Å
166L91.4Very high92.6Very high16 Ų1643.6 Ų43.68%0.08423%0.226CC..Hα-helixtrans-61.6-40.8177.8-55.3178.2000111.1A133 L136 V163 T164 Q169 L170A133-L166 HydrophobicContact CB-CD1 4.15Å; A133-L166 HydrophobicContact CB-CD2 3.86Å; L136-L166 HydrophobicContact CD2-CB 4.01Å; L136-L166 HydrophobicContact CD2-CD1 3.89Å; L136-L166 HydrophobicContact CD2-CD2 4.21Å; L136-L166 HydrophobicContact CD2-CG 4.26Å; V163-L166 WeakPolarHBondContact O-CB 3.22Å; V163-L166 PolarHBondContact O-N 2.85Å; T164-L166 VanDerWaalsContact C-N 3.31Å; T164-L166 PolarHBondContact O-N 2.96Å; L166-Q169 PolarHBondContact O-N 3.39Å; L166-L170 VanDerWaalsContact O-CG 3.25Å; L166-L170 WeakPolarHBondContact O-CG 3.35Å; L166-L170 PolarHBondContact O-N 3.5Å
167Y93.8Very high92.6Very high12 Ų1243.3 Ų43.35%0.04723%0.225CC..Hα-helixtrans-63.1-45.5175.4-62.8-28.7000112.7I157 R159 V163 T164 L165 Q169 L170 Q171 V177 C179 V233I157-Y167 HydrophobicContact CD1-CE1 3.63Å; R159-Y167 PolarHBondContact NH1-OH 3.39Å; V163-Y167 HydrophobicContact CB-CE2 4.41Å; V163-Y167 HydrophobicContact CG1-CE2 3.84Å; V163-Y167 HydrophobicContact CG2-CE1 3.87Å; V163-Y167 HydrophobicContact CG2-CE2 3.91Å; V163-Y167 VanDerWaalsContact CG2-CZ 3.46Å; V163-Y167 WeakPolarHBondContact CG2-OH 3.46Å; V163-Y167 PolarHBondContact O-N 3.22Å; V163-Y167 VanDerWaalsContact O-N 3.07Å; T164-Y167 WeakPolarHBondContact O-CB 3.37Å; T164-Y167 PolarHBondContact O-N 3.47Å; L165-Y167 VanDerWaalsContact C-N 3.29Å; L165-Y167 PolarHBondContact O-N 3.35Å; Y167-Q169 VanDerWaalsContact C-N 3.31Å; Y167-Q169 PolarHBondContact O-N 2.79Å; Y167-L170 PolarHBondContact O-N 2.96Å; Y167-Q171 WeakPolarHBondContact O-CB 3.39Å; Y167-Q171 VanDerWaalsContact O-CG 3.31Å; Y167-Q171 WeakPolarHBondContact O-CG 3.3Å; Y167-Q171 PolarHBondContact O-N 3.03Å; Y167-V177 HydrophobicContact CD1-CG1 4.38Å; Y167-C179 HydrophobicContact CE1-CB 4.33Å; Y167-C179 WeakPolarHBondContact OH-CB 3.15Å; Y167-C179 PolarHBondContact OH-SG 3.48Å; Y167-C179 VanDerWaalsContact OH-SG 3.36Å; Y167-V233 HydrophobicContact CD1-CG1 4.34Å; Y167-V233 HydrophobicContact CD1-CG2 4.41Å; Y167-V233 HydrophobicContact CD2-CB 3.72Å; Y167-V233 HydrophobicContact CD2-CG1 4.16Å; Y167-V233 HydrophobicContact CD2-CG2 3.5Å; Y167-V233 HydrophobicContact CE1-CG1 4.36Å; Y167-V233 HydrophobicContact CE2-CB 3.96Å; Y167-V233 HydrophobicContact CE2-CG1 4.18Å; Y167-V233 HydrophobicContact CE2-CG2 4.26Å; Y167-V233 HydrophobicContact CG-CB 4.14Å; Y167-V233 HydrophobicContact CG-CG1 4.26Å; Y167-V233 HydrophobicContact CG-CG2 3.61Å
168S90.7Very high92.6Very high39 Ų3944 Ų4427%0.27323%0.229SC..Hα-helixtrans-60.5-41.9176.6-63.10000111.5T164 L165 L170 Q171 V172T164-S168 PolarHBondContact O-N 2.81Å; T164-S168 PolarHBondContact O-OG 2.58Å; L165-S168 PolarHBondContact O-N 3.01Å; S168-L170 VanDerWaalsContact C-N 3.35Å; S168-L170 PolarHBondContact O-N 3.09Å; S168-Q171 PolarHBondContact O-N 2.7Å; S168-V172 PolarHBondContact O-N 3.34Å
169Q91.4Very high92.8Very high12 Ų1242.6 Ų42.66%0.05622%0.223CC..Hα-helixtrans-62.1-40.3175.2-71.7169.4-35.700112.3L165 L166 Y167 V172 F173 L213L165-Q169 HydrophobicContact CD1-CG 4.22Å; L165-Q169 WeakPolarHBondContact O-CG 3.35Å; L165-Q169 PolarHBondContact O-N 2.73Å; L166-Q169 PolarHBondContact O-N 3.39Å; Y167-Q169 VanDerWaalsContact C-N 3.31Å; Y167-Q169 PolarHBondContact O-N 2.79Å; Q169-V172 WeakPolarHBondContact O-CB 3.15Å; Q169-F173 WeakPolarHBondContact O-CD2 3.41Å; Q169-L213 PolarHBondContact NE2-O 2.89Å
170L95.7Very high93Very high2 Ų238 Ų381%0.0121%0.205CC..Hα-helixtrans-68.4-39.8175.8-68.5165.6000111.8L140 F153 L166 Y167 S168 V172 F173 F174 V177 A194L140-L170 HydrophobicContact CD1-CD2 3.94Å; L140-L170 HydrophobicContact CD2-CD2 3.89Å; L140-L170 HydrophobicContact CG-CD2 4.39Å; F153-L170 HydrophobicContact CD1-CD2 4.06Å; F153-L170 HydrophobicContact CE1-CD2 3.94Å; L166-L170 VanDerWaalsContact O-CG 3.25Å; L166-L170 WeakPolarHBondContact O-CG 3.35Å; L166-L170 PolarHBondContact O-N 3.5Å; Y167-L170 PolarHBondContact O-N 2.96Å; S168-L170 VanDerWaalsContact C-N 3.35Å; S168-L170 PolarHBondContact O-N 3.09Å; L170-V172 PolarHBondContact O-N 3.24Å; L170-F173 PolarHBondContact O-N 3.13Å; L170-F174 WeakPolarHBondContact O-CD2 3.28Å; L170-F174 PolarHBondContact O-N 2.83Å; L170-F174 VanDerWaalsContact O-N 3.16Å; L170-V177 HydrophobicContact CB-CG1 4.08Å; L170-V177 HydrophobicContact CB-CG2 3.86Å; L170-V177 HydrophobicContact CD1-CG1 4.21Å; L170-A194 HydrophobicContact CD1-CB 3.7Å
171Q95Very high93.5Very high74 Ų7438.1 Ų38.135%0.34620%0.201SC..Hα-helixtrans-64.5-18.6179.9-76.3177.1-36.500113.5Y167 S168 F173 V177Y167-Q171 WeakPolarHBondContact O-CB 3.39Å; Y167-Q171 VanDerWaalsContact O-CG 3.31Å; Y167-Q171 WeakPolarHBondContact O-CG 3.3Å; Y167-Q171 PolarHBondContact O-N 3.03Å; S168-Q171 PolarHBondContact O-N 2.7Å; Q171-F173 PolarHBondContact O-N 3.49Å; Q171-V177 HydrophobicContact CB-CG2 4.49Å; Q171-V177 HydrophobicContact CG-CB 3.92Å; Q171-V177 HydrophobicContact CG-CG2 3.74Å
172V93.6Very high94.2Very high76 Ų7628 Ų2846%0.46116%0.163SC..THydrogen-bonded Turntrans-63.2-30.5170.5174.80000111.8S168 Q169 L170 P202S168-V172 PolarHBondContact O-N 3.34Å; Q169-V172 WeakPolarHBondContact O-CB 3.15Å; L170-V172 PolarHBondContact O-N 3.24Å; V172-P202 HydrophobicContact CG1-CG 3.84Å
173F96.6Very high94.9Very high4 Ų427.7 Ų27.72%0.01816%0.156CC..THydrogen-bonded Turntrans-114.4-7-170.8-61.5-74000114.2L140 T144 Q169 L170 Q171 Y199 D200 P201 F205 L213L140-F173 HydrophobicContact CD2-CD2 4.31Å; T144-F173 HydrophobicContact CG2-CD1 4.33Å; T144-F173 HydrophobicContact CG2-CE1 4.44Å; Q169-F173 WeakPolarHBondContact O-CD2 3.41Å; L170-F173 PolarHBondContact O-N 3.13Å; Q171-F173 PolarHBondContact O-N 3.49Å; F173-Y199 HydrophobicContact CB-CD2 4.29Å; F173-Y199 HydrophobicContact CB-CE2 4.08Å; F173-Y199 HydrophobicContact CD1-CE2 4.44Å; F173-Y199 CarbonylContact O-C 3.58Å; F173-Y199 WeakPolarHBondContact O-CA 3.37Å; F173-Y199 VanDerWaalsContact O-CD2 3.29Å; F173-Y199 WeakPolarHBondContact O-CD2 3.42Å; F173-D200 CarbonylContact O-C 3.51Å; F173-D200 PolarHBondContact O-N 2.84Å; F173-P201 HydrophobicContact CD1-CB 4.11Å; F173-F205 HydrophobicContact CD1-CE1 4.29Å; F173-F205 AromaticContact CE1-CD1 3.89Å; F173-F205 HydrophobicContact CE1-CD1 3.89Å; F173-F205 AromaticContact CE1-CD2 3.94Å; F173-F205 HydrophobicContact CE1-CD2 3.94Å; F173-F205 AromaticContact CE1-CE1 3.55Å; F173-F205 HydrophobicContact CE1-CE1 3.55Å; F173-F205 AromaticContact CE1-CE2 3.62Å; F173-F205 HydrophobicContact CE1-CE2 3.62Å; F173-F205 HydrophobicContact CE1-CG 4.07Å; F173-F205 AromaticContact CE1-CZ 3.42Å; F173-F205 HydrophobicContact CE1-CZ 3.42Å; F173-F205 VanDerWaalsContact CE1-CZ 3.42Å; F173-F205 HydrophobicContact CZ-CD2 4.43Å; F173-F205 HydrophobicContact CZ-CE1 4.33Å; F173-F205 AromaticContact CZ-CE2 3.8Å; F173-F205 HydrophobicContact CZ-CE2 3.8Å; F173-F205 AromaticContact CZ-CZ 3.74Å; F173-F205 HydrophobicContact CZ-CZ 3.74Å; F173-L213 HydrophobicContact CE2-CD1 3.74Å; F173-L213 HydrophobicContact CE2-CD2 4.25Å; F173-L213 HydrophobicContact CZ-CD1 4.4Å; F173-L213 HydrophobicContact CZ-CD2 4.34Å
174F98.3Very high95.2Very high8 Ų826.9 Ų26.94%0.03515%0.151CC..EExtended strand (participates in β ladder)trans-138.6133.4-174.5-64.7-86.6000111.2L140 L147 F153 L170 S176 V177 C196 G198 Y199L140-F174 HydrophobicContact CD1-CE2 3.67Å; L140-F174 HydrophobicContact CD1-CZ 4.39Å; L147-F174 HydrophobicContact CD1-CE1 4.02Å; L147-F174 HydrophobicContact CD1-CZ 3.91Å; F153-F174 HydrophobicContact CB-CE1 3.76Å; F153-F174 HydrophobicContact CB-CE2 4.15Å; F153-F174 HydrophobicContact CB-CZ 3.38Å; F153-F174 HydrophobicContact CD1-CE2 4.26Å; F153-F174 HydrophobicContact CD1-CZ 4.27Å; F153-F174 HydrophobicContact CG-CZ 4.15Å; L170-F174 WeakPolarHBondContact O-CD2 3.28Å; L170-F174 PolarHBondContact O-N 2.83Å; L170-F174 VanDerWaalsContact O-N 3.16Å; F174-S176 PolarHBondContact O-N 3.45Å; F174-V177 HydrophobicContact CB-CG2 4Å; F174-C196 HydrophobicContact CB-CB 3.92Å; F174-C196 HydrophobicContact CD1-CB 3.59Å; F174-C196 HydrophobicContact CD2-CB 3.61Å; F174-C196 HydrophobicContact CE1-CB 3.95Å; F174-C196 HydrophobicContact CE2-CB 3.98Å; F174-C196 HydrophobicContact CG-CB 3.43Å; F174-C196 VanDerWaalsContact CG-CB 3.43Å; F174-C196 HydrophobicContact CZ-CB 4.16Å; F174-G198 WeakPolarHBondContact CA-O 3.39Å; F174-Y199 HydrophobicContact CD1-CD2 4.32Å; F174-Y199 AromaticContact CE1-CD2 3.81Å; F174-Y199 HydrophobicContact CE1-CD2 3.81Å; F174-Y199 HydrophobicContact CE1-CG 4.18Å; F174-Y199 HydrophobicContact CE2-CD2 4.35Å; F174-Y199 AromaticContact CZ-CD2 3.8Å; F174-Y199 HydrophobicContact CZ-CD2 3.8Å
175S97.7Very high95.5Very high96 Ų9625.7 Ų25.767%0.67114%0.144SC*.EExtended strand (participates in β ladder)trans-65.6-28.1178.6-44.20000113.2Q197 G198S175-Q197 PolarHBondContact N-O 3.36Å; S175-G198 PolarHBondContact N-O 2.95Å; S175-G198 PolarHBondContact OG-O 3.23Å
176S97.9Very high95.8Very high48 Ų4829.9 Ų29.934%0.33616%0.158SC..EExtended strand (participates in β ladder)trans-132127177.4-179.80000110.3F174 C196 Q197F174-S176 PolarHBondContact O-N 3.45Å; S176-C196 CarbonylContact O-C 3.31Å; S176-C196 VanDerWaalsContact O-CA 3.27Å; S176-C196 WeakPolarHBondContact O-CA 3.43Å; S176-Q197 PolarHBondContact N-O 3.05Å; S176-Q197 VanDerWaalsContact N-O 3.07Å; S176-Q197 PolarHBondContact O-N 3.49Å
177V98.2Very high95.8Very high7 Ų735.6 Ų35.64%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-130.3125.1173.4179.10000107.7Y167 L170 Q171 F174 C196Y167-V177 HydrophobicContact CD1-CG1 4.38Å; L170-V177 HydrophobicContact CB-CG1 4.08Å; L170-V177 HydrophobicContact CB-CG2 3.86Å; L170-V177 HydrophobicContact CD1-CG1 4.21Å; Q171-V177 HydrophobicContact CB-CG2 4.49Å; Q171-V177 HydrophobicContact CG-CB 3.92Å; Q171-V177 HydrophobicContact CG-CG2 3.74Å; F174-V177 HydrophobicContact CB-CG2 4Å; V177-C196 HydrophobicContact CG2-CB 4.41Å
178L97.9Very high95.7Very high17 Ų1739.4 Ų39.49%0.08922%0.217CC..EExtended strand (participates in β ladder)trans-134.9159.3174.366.686.5000110.8F36 A180 A194 V195 P234 V236F36-L178 HydrophobicContact CD1-CD2 4.03Å; F36-L178 HydrophobicContact CE1-CD1 3.64Å; F36-L178 HydrophobicContact CE1-CD2 3.49Å; F36-L178 VanDerWaalsContact CE1-CD2 3.49Å; F36-L178 HydrophobicContact CE1-CG 4.22Å; F36-L178 HydrophobicContact CE2-CD1 4.1Å; F36-L178 HydrophobicContact CZ-CD1 3.37Å; F36-L178 HydrophobicContact CZ-CD2 4.15Å; F36-L178 HydrophobicContact CZ-CG 4.41Å; L178-A180 HydrophobicContact CD1-CB 3.98Å; L178-A194 WeakPolarHBondContact O-CA 3.33Å; L178-V195 HydrophobicContact CD1-CB 3.66Å; L178-V195 HydrophobicContact CD1-CG1 4.4Å; L178-V195 HydrophobicContact CD1-CG2 4.02Å; L178-V195 HydrophobicContact CG-CB 3.94Å; L178-V195 HydrophobicContact CG-CG1 4.47Å; L178-V195 PolarHBondContact N-O 3.23Å; L178-V195 PolarHBondContact O-N 2.89Å; L178-P234 HydrophobicContact CB-CB 4.27Å; L178-V236 HydrophobicContact CD1-CG2 4.36Å
179C98.1Very high95.7Very high0 Ų039.7 Ų39.70%022%0.219CC..EExtended strand (participates in β ladder)trans-104.2124.2174-175.60000110.1R159 Y167 A192 F193 V233 P234 F235 V236R159-C179 PolarHBondContact NH1-SG 3.03Å; Y167-C179 HydrophobicContact CE1-CB 4.33Å; Y167-C179 WeakPolarHBondContact OH-CB 3.15Å; Y167-C179 PolarHBondContact OH-SG 3.48Å; Y167-C179 VanDerWaalsContact OH-SG 3.36Å; C179-A192 WeakPolarHBondContact SG-CB 3.4Å; C179-F193 CarbonylContact C-O 3.54Å; C179-F193 WeakPolarHBondContact CA-O 3.48Å; C179-V233 HydrophobicContact CB-CG1 4.35Å; C179-P234 PolarHBondContact N-O 3.21Å; C179-F235 HydrophobicContact CB-CD2 3.98Å; C179-F235 CarbonylContact O-C 3.55Å; C179-F235 VanDerWaalsContact O-CA 3.25Å; C179-F235 WeakPolarHBondContact O-CA 3.29Å; C179-V236 PolarHBondContact O-N 2.92Å
180A98.3Very high95.8Very high0 Ų042.6 Ų42.60%023%0.234CC..EExtended strand (participates in β ladder)trans-115.7139.7-17800000112.1L32 F36 L178 A192 F193 V195 V236L32-A180 HydrophobicContact CD2-CB 3.44Å; L32-A180 VanDerWaalsContact CD2-CB 3.44Å; F36-A180 HydrophobicContact CE2-CB 3.65Å; F36-A180 HydrophobicContact CZ-CB 3.92Å; L178-A180 HydrophobicContact CD1-CB 3.98Å; A180-A192 CarbonylContact O-C 3.53Å; A180-A192 WeakPolarHBondContact O-CB 3.15Å; A180-F193 PolarHBondContact N-O 2.86Å; A180-F193 PolarHBondContact O-N 3.27Å; A180-V195 HydrophobicContact CB-CG2 3.76Å; A180-V236 CarbonylContact C-O 3.53Å; A180-V236 VanDerWaalsContact CA-O 3.24Å; A180-V236 WeakPolarHBondContact CA-O 3.5Å
181K97.8Very high95.8Very high19 Ų1943.8 Ų43.88%0.08324%0.24CC..EExtended strand (participates in β ladder)trans-123.4103175.8-177.377.9179.3-174.10109.7R186 S189 E191 A192 F235 V236 T237 C238K181-R186 VanDerWaalsContact CE-O 3.23Å; K181-R186 WeakPolarHBondContact CE-O 3.14Å; K181-R186 PolarHBondContact NZ-O 2.99Å; K181-S189 PolarHBondContact NZ-O 2.94Å; K181-E191 WeakPolarHBondContact CD-O 3.3Å; K181-E191 WeakPolarHBondContact CE-O 3.18Å; K181-E191 PolarHBondContact NZ-O 3.32Å; K181-A192 HydrophobicContact CD-CB 4.5Å; K181-F235 HydrophobicContact CB-CE1 4.17Å; K181-F235 HydrophobicContact CB-CE2 3.94Å; K181-F235 HydrophobicContact CB-CZ 3.4Å; K181-F235 VanDerWaalsContact CB-CZ 3.4Å; K181-F235 HydrophobicContact CG-CZ 4.14Å; K181-V236 PolarHBondContact N-O 2.84Å; K181-T237 WeakPolarHBondContact O-CA 3.35Å; K181-C238 PolarHBondContact O-N 3.28Å
182P97.8Very high95.9Very high0 Ų040.2 Ų40.20%022%0.223CC..EExtended strand (participates in β ladder)trans-65137.7173.7-21.934000111.3K28 Q31 L32 S184 S185 F193 C238K28-P182 HydrophobicContact CB-CB 4.21Å; K28-P182 HydrophobicContact CB-CG 4.08Å; K28-P182 HydrophobicContact CG-CB 4.45Å; Q31-P182 HydrophobicContact CB-CB 4.19Å; Q31-P182 VanDerWaalsContact OE1-CB 3.24Å; L32-P182 HydrophobicContact CD1-CG 4.17Å; L32-P182 HydrophobicContact CD2-CG 3.94Å; L32-P182 HydrophobicContact CG-CG 3.84Å; P182-S184 PolarHBondContact O-N 3.4Å; P182-S185 WeakPolarHBondContact O-CA 3.27Å; P182-S185 WeakPolarHBondContact O-CB 3.39Å; P182-S185 PolarHBondContact O-N 2.74Å; P182-S185 PolarHBondContact O-OG 2.95Å; P182-F193 HydrophobicContact CG-CD2 3.85Å; P182-F193 HydrophobicContact CG-CE2 3.99Å; P182-C238 CarbonylContact C-O 3.56Å; P182-C238 WeakPolarHBondContact CA-O 3.35Å
183R95.5Very high96.2Very high75 Ų7536.6 Ų36.628%0.28320%0.201SC..THydrogen-bonded Turntrans-59.9-25.8174.3-72.4-168.274.3126.81.4113.2Q31 S185 C238 D240 S246Q31-R183 VanDerWaalsContact OE1-N 3.13Å; R183-S185 PolarHBondContact O-N 2.75Å; R183-C238 PolarHBondContact N-O 3.18Å; R183-D240 WeakPolarHBondContact CD-O 3.47Å; R183-S246 VanDerWaalsContact O-CB 3.26Å; R183-S246 WeakPolarHBondContact O-CB 3.38Å; R183-S246 PolarHBondContact O-OG 2.77Å
184S96.4Very high96.3Very high0 Ų036.4 Ų36.40%020%0.201CC..THydrogen-bonded Turntrans-68.8-14.6172.4590000113.9Y12 R24 K28 Q31 P182Y12-S184 VanDerWaalsContact CE2-CA 3.44Å; R24-S184 PolarHBondContact NH2-O 3.01Å; K28-S184 VanDerWaalsContact CA-OG 3.3Å; K28-S184 WeakPolarHBondContact CA-OG 3.25Å; K28-S184 WeakPolarHBondContact CG-OG 2.98Å; K28-S184 PolarHBondContact N-OG 3.35Å; Q31-S184 VanDerWaalsContact OE1-CB 3.27Å; Q31-S184 PolarHBondContact OE1-OG 2.86Å; P182-S184 PolarHBondContact O-N 3.4Å
185S95.7Very high96.3Very high8 Ų836 Ų366%0.05620%0.199CC..SBendtrans-86.7140.7166.6-510000109.6P182 R183 S246P182-S185 WeakPolarHBondContact O-CA 3.27Å; P182-S185 WeakPolarHBondContact O-CB 3.39Å; P182-S185 PolarHBondContact O-N 2.74Å; P182-S185 PolarHBondContact O-OG 2.95Å; R183-S185 PolarHBondContact O-N 2.75Å; S185-S246 VanDerWaalsContact C-OG 3.23Å; S185-S246 PolarHBondContact O-OG 3.17Å
186R93.8Very high96.3Very high114 Ų11431.5 Ų31.543%0.4317%0.167SC..  trans-62.2135.8177.8-71.9-173.7176.5175.41.1111.4K181 S188 S189 S246 D247K181-R186 VanDerWaalsContact CE-O 3.23Å; K181-R186 WeakPolarHBondContact CE-O 3.14Å; K181-R186 PolarHBondContact NZ-O 2.99Å; R186-S188 PolarHBondContact O-N 3.48Å; R186-S189 PolarHBondContact O-N 3.24Å; R186-S246 VanDerWaalsContact CA-OG 3.28Å; R186-S246 WeakPolarHBondContact CA-OG 3.36Å; R186-S246 PolarHBondContact N-OG 3.24Å; R186-D247 WeakPolarHBondContact CB-OD1 3.13Å
187N92Very high96.4Very high136 Ų13632 Ų3273%0.72716%0.164SC*.THydrogen-bonded Turntrans-67.3-30.8174.5-169.254.9000111.4S189 D247N187-S189 PolarHBondContact O-N 3.29Å; N187-D247 WeakPolarHBondContact CA-OD2 3.44Å; N187-D247 WeakPolarHBondContact CB-OD2 3.39Å; N187-D247 PolarHBondContact N-OD2 3.3Å
188S90.9Very high96.4Very high92 Ų9232.6 Ų32.664%0.64317%0.171SC*.THydrogen-bonded Turntrans-65.7-13.8173.752.40000114.7R186 D247R186-S188 PolarHBondContact O-N 3.48Å; S188-D247 PolarHBondContact OG-OD1 3.05Å
189S92Very high96.4Very high46 Ų4632.2 Ų32.232%0.32217%0.169SC..SBendtrans-95.1140.6179169.90000111.8K181 R186 N187 E191K181-S189 PolarHBondContact NZ-O 2.94Å; R186-S189 PolarHBondContact O-N 3.24Å; N187-S189 PolarHBondContact O-N 3.29Å; S189-E191 PolarHBondContact O-N 2.97Å; S189-E191 WeakPolarHBondContact OG-CB 3.41Å; S189-E191 PolarHBondContact OG-N 2.81Å
190I93.4Very high96.4Very high72 Ų7237.3 Ų37.337%0.36920%0.196SC..  trans-72.5-4.8170.865.7173.9000113.4E129 F158 R159 A192E129-I190 HydrophobicContact CG-CD1 4.16Å; F158-I190 HydrophobicContact CB-CD1 3.78Å; F158-I190 HydrophobicContact CB-CG1 4.03Å; F158-I190 HydrophobicContact CD1-CG1 4.38Å; F158-I190 HydrophobicContact CD2-CD1 4.23Å; F158-I190 HydrophobicContact CG-CD1 4.05Å; F158-I190 HydrophobicContact CG-CG1 4.09Å; R159-I190 PolarHBondContact N-O 2.8Å; I190-A192 PolarHBondContact O-N 3Å
191E95.2Very high96.3Very high27 Ų2739.1 Ų39.113%0.12621%0.208CC..EExtended strand (participates in β ladder)trans-58.7131.5176.6-176.5-174.8122.700111.4K28 K156 I157 F158 K181 S189 F193K28-E191 WeakPolarHBondContact CE-OE1 3.3Å; K28-E191 IonicContact NZ-OE1 2.77Å; K28-E191 PolarHBondContact NZ-OE1 3.32Å; K28-E191 IonicContact NZ-OE2 2.7Å; K156-E191 HydrophobicContact CD-CG 3.79Å; K156-E191 VanDerWaalsContact CE-CD 3.46Å; K156-E191 WeakPolarHBondContact CE-OE2 3.44Å; K156-E191 HydrophobicContact CG-CG 3.7Å; K156-E191 IonicContact NZ-OE2 3.11Å; I157-E191 WeakPolarHBondContact O-CA 3.43Å; F158-E191 HydrophobicContact CD1-CB 4.43Å; F158-E191 HydrophobicContact CE1-CB 4.38Å; K181-E191 WeakPolarHBondContact CD-O 3.3Å; K181-E191 WeakPolarHBondContact CE-O 3.18Å; K181-E191 PolarHBondContact NZ-O 3.32Å; S189-E191 PolarHBondContact O-N 2.97Å; S189-E191 WeakPolarHBondContact OG-CB 3.41Å; S189-E191 PolarHBondContact OG-N 2.81Å; E191-F193 HydrophobicContact CG-CE2 4.49Å
192A97.5Very high96.1Very high0 Ų041.1 Ų41.10%022%0.223CC..EExtended strand (participates in β ladder)trans-143.3-173.3166.100000109.1K156 I157 R159 C179 A180 K181 I190K156-A192 WeakPolarHBondContact CA-O 3.26Å; I157-A192 HydrophobicContact CG1-CB 4.12Å; I157-A192 PolarHBondContact N-O 3.26Å; I157-A192 PolarHBondContact O-N 3.47Å; I157-A192 VanDerWaalsContact O-O 3.09Å; R159-A192 HydrophobicContact CG-CB 3.82Å; C179-A192 WeakPolarHBondContact SG-CB 3.4Å; A180-A192 CarbonylContact O-C 3.53Å; A180-A192 WeakPolarHBondContact O-CB 3.15Å; K181-A192 HydrophobicContact CD-CB 4.5Å; I190-A192 PolarHBondContact O-N 3Å
193F98.6Very high96Very high0 Ų051 Ų510%027%0.269CS..EExtended strand (participates in β ladder)trans-126.3127.2178.3-67.5-93.1000109.6K28 L32 W55 D116 V154 A155 K156 C179 A180 P182 E191K28-F193 HydrophobicContact CB-CE2 4.47Å; K28-F193 HydrophobicContact CB-CZ 4.41Å; K28-F193 HydrophobicContact CD-CE2 3.92Å; K28-F193 HydrophobicContact CD-CZ 3.65Å; L32-F193 HydrophobicContact CD1-CB 4.15Å; L32-F193 HydrophobicContact CD1-CD1 4.08Å; L32-F193 HydrophobicContact CD1-CD2 4.2Å; L32-F193 HydrophobicContact CD1-CG 3.85Å; L32-F193 HydrophobicContact CD2-CB 4.3Å; W55-F193 AromaticContact CH2-CD1 3.74Å; W55-F193 HydrophobicContact CH2-CD1 3.74Å; W55-F193 AromaticContact CH2-CE1 3.37Å; W55-F193 HydrophobicContact CH2-CE1 3.37Å; W55-F193 HydrophobicContact CH2-CZ 4.26Å; W55-F193 HydrophobicContact CZ2-CD1 4.34Å; W55-F193 AromaticContact CZ2-CE1 3.63Å; W55-F193 HydrophobicContact CZ2-CE1 3.63Å; W55-F193 HydrophobicContact CZ2-CZ 4.07Å; W55-F193 HydrophobicContact CZ3-CE1 4.46Å; D116-F193 HydrophobicContact CB-CE1 4.49Å; D116-F193 WeakPolarHBondContact OD1-CE1 3.42Å; D116-F193 VanDerWaalsContact OD1-CZ 3.27Å; D116-F193 WeakPolarHBondContact OD1-CZ 3.46Å; V154-F193 HydrophobicContact CG1-CB 4.4Å; V154-F193 HydrophobicContact CG1-CD1 4.4Å; A155-F193 CarbonylContact O-C 3.56Å; A155-F193 VanDerWaalsContact O-CA 3.25Å; A155-F193 WeakPolarHBondContact O-CA 3.35Å; K156-F193 HydrophobicContact CB-CD1 4.27Å; K156-F193 HydrophobicContact CB-CE1 3.88Å; K156-F193 HydrophobicContact CB-CZ 4.42Å; K156-F193 HydrophobicContact CG-CE1 4.45Å; C179-F193 CarbonylContact C-O 3.54Å; C179-F193 WeakPolarHBondContact CA-O 3.48Å; A180-F193 PolarHBondContact N-O 2.86Å; A180-F193 PolarHBondContact O-N 3.27Å; P182-F193 HydrophobicContact CG-CD2 3.85Å; P182-F193 HydrophobicContact CG-CE2 3.99Å; E191-F193 HydrophobicContact CG-CE2 4.49Å
194A98.4Very high95.9Very high0 Ų050.8 Ų50.80%029%0.291CS..EExtended strand (participates in β ladder)trans-73.3124.816200000107.8V154 A155 I157 L170 L178V154-A194 VanDerWaalsContact CA-O 3.3Å; V154-A194 WeakPolarHBondContact CA-O 3.41Å; A155-A194 PolarHBondContact N-O 3.32Å; A155-A194 PolarHBondContact O-N 3.45Å; I157-A194 HydrophobicContact CD1-CB 4.4Å; I157-A194 HydrophobicContact CG2-CB 3.9Å; L170-A194 HydrophobicContact CD1-CB 3.7Å; L178-A194 WeakPolarHBondContact O-CA 3.33Å
195V98.7Very high95.7Very high0 Ų054.3 Ų54.30%031%0.306CS..EExtended strand (participates in β ladder)trans-111.9111.4173177.90000106.6L32 F36 L38 V154 L178 A180 Q197L32-V195 HydrophobicContact CD2-CG2 4.13Å; F36-V195 HydrophobicContact CB-CG1 4.43Å; F36-V195 HydrophobicContact CD1-CG1 4.48Å; F36-V195 HydrophobicContact CD2-CG1 4.04Å; F36-V195 HydrophobicContact CD2-CG2 4.02Å; F36-V195 HydrophobicContact CE2-CG1 4.48Å; F36-V195 HydrophobicContact CE2-CG2 3.88Å; F36-V195 HydrophobicContact CG-CG1 4.05Å; L38-V195 HydrophobicContact CD2-CG1 4.16Å; V154-V195 HydrophobicContact CG1-CG2 4.2Å; V154-V195 HydrophobicContact CG2-CG1 4.23Å; V154-V195 HydrophobicContact CG2-CG2 4.39Å; L178-V195 HydrophobicContact CD1-CB 3.66Å; L178-V195 HydrophobicContact CD1-CG1 4.4Å; L178-V195 HydrophobicContact CD1-CG2 4.02Å; L178-V195 HydrophobicContact CG-CB 3.94Å; L178-V195 HydrophobicContact CG-CG1 4.47Å; L178-V195 PolarHBondContact N-O 3.23Å; L178-V195 PolarHBondContact O-N 2.89Å; A180-V195 HydrophobicContact CB-CG2 3.76Å; V195-Q197 HydrophobicContact CG1-CG 4.36Å
196C98.7Very high95.4Very high0 Ų060.6 Ų60.60%034%0.337CS..EExtended strand (participates in β ladder)trans-114126.7-176.1-41.70000108.6C152 F153 F174 S176 V177C152-C196 CarbonylContact C-O 3.59Å; C152-C196 WeakPolarHBondContact CA-O 3.43Å; F153-C196 HydrophobicContact CB-CB 4.2Å; F153-C196 PolarHBondContact N-O 3.19Å; F153-C196 WeakPolarHBondContact O-CA 3.45Å; F153-C196 WeakPolarHBondContact O-CB 3.28Å; F153-C196 PolarHBondContact O-N 2.89Å; F174-C196 HydrophobicContact CB-CB 3.92Å; F174-C196 HydrophobicContact CD1-CB 3.59Å; F174-C196 HydrophobicContact CD2-CB 3.61Å; F174-C196 HydrophobicContact CE1-CB 3.95Å; F174-C196 HydrophobicContact CE2-CB 3.98Å; F174-C196 HydrophobicContact CG-CB 3.43Å; F174-C196 VanDerWaalsContact CG-CB 3.43Å; F174-C196 HydrophobicContact CZ-CB 4.16Å; S176-C196 CarbonylContact O-C 3.31Å; S176-C196 VanDerWaalsContact O-CA 3.27Å; S176-C196 WeakPolarHBondContact O-CA 3.43Å; V177-C196 HydrophobicContact CG2-CB 4.41Å
197Q98.5Very high95.2Very high59 Ų5957 Ų5728%0.27633%0.329SS..EExtended strand (participates in β ladder)trans-128147.1-177.4-60.1-177.6-60.500109.9S175 S176 V195S175-Q197 PolarHBondContact N-O 3.36Å; S176-Q197 PolarHBondContact N-O 3.05Å; S176-Q197 VanDerWaalsContact N-O 3.07Å; S176-Q197 PolarHBondContact O-N 3.49Å; V195-Q197 HydrophobicContact CG1-CG 4.36Å
198G98.3Very high94.9Very high19 Ų1953.3 Ų53.320%0.19631%0.309CS..EExtended strand (participates in β ladder)trans74.461.8-179.400000111.5G151 F174 S175 D200G151-G198 PolarHBondContact O-N 2.82Å; F174-G198 WeakPolarHBondContact CA-O 3.39Å; S175-G198 PolarHBondContact N-O 2.95Å; S175-G198 PolarHBondContact OG-O 3.23Å; G198-D200 PolarHBondContact O-N 2.97Å; G198-D200 VanDerWaalsContact O-N 3.08Å
199Y98.5Very high94.1Very high10 Ų1050.7 Ų50.74%0.03929%0.288CS..EExtended strand (participates in β ladder)trans-53.7115.9173.1-179.6-120.5000110.3T144 L147 K148 P149 G150 G151 F173 F174 P201T144-Y199 VanDerWaalsContact CA-OH 3.26Å; T144-Y199 WeakPolarHBondContact CA-OH 3.37Å; T144-Y199 WeakPolarHBondContact CB-OH 3.15Å; T144-Y199 HydrophobicContact CG2-CE2 4.3Å; T144-Y199 PolarHBondContact O-OH 2.78Å; T144-Y199 VanDerWaalsContact O-OH 3.1Å; L147-Y199 HydrophobicContact CB-CD1 3.76Å; L147-Y199 HydrophobicContact CB-CE1 4.11Å; L147-Y199 HydrophobicContact CB-CG 4.09Å; L147-Y199 HydrophobicContact CD1-CD2 4.46Å; L147-Y199 HydrophobicContact CD1-CG 4.33Å; K148-Y199 WeakPolarHBondContact O-CD1 3.38Å; P149-Y199 CarbonylContact C-O 3.47Å; P149-Y199 WeakPolarHBondContact CA-O 3.28Å; G150-Y199 PolarHBondContact N-O 2.96Å; G151-Y199 PolarHBondContact O-N 2.81Å; F173-Y199 HydrophobicContact CB-CD2 4.29Å; F173-Y199 HydrophobicContact CB-CE2 4.08Å; F173-Y199 HydrophobicContact CD1-CE2 4.44Å; F173-Y199 CarbonylContact O-C 3.58Å; F173-Y199 WeakPolarHBondContact O-CA 3.37Å; F173-Y199 VanDerWaalsContact O-CD2 3.29Å; F173-Y199 WeakPolarHBondContact O-CD2 3.42Å; F174-Y199 HydrophobicContact CD1-CD2 4.32Å; F174-Y199 AromaticContact CE1-CD2 3.81Å; F174-Y199 HydrophobicContact CE1-CD2 3.81Å; F174-Y199 HydrophobicContact CE1-CG 4.18Å; F174-Y199 HydrophobicContact CE2-CD2 4.35Å; F174-Y199 AromaticContact CZ-CD2 3.8Å; F174-Y199 HydrophobicContact CZ-CD2 3.8Å; Y199-P201 HydrophobicContact CE1-CG 3.86Å; Y199-P201 HydrophobicContact CE2-CB 4.2Å; Y199-P201 HydrophobicContact CE2-CG 4.29Å
200D97.9Very high93.3Very high106 Ų10652.7 Ų52.757%0.56730%0.302SS*.  trans-14475.3-172.4-170.130.4000108.3F173 G198F173-D200 CarbonylContact O-C 3.51Å; F173-D200 PolarHBondContact O-N 2.84Å; G198-D200 PolarHBondContact O-N 2.97Å; G198-D200 VanDerWaalsContact O-N 3.08Å
201P95.8Very high92.2Very high38 Ų3856.4 Ų56.425%0.24732%0.315CS..PPolyproline II helixtrans-67.4149.3-179.229-34.9000110.9F173 Y199 F205F173-P201 HydrophobicContact CD1-CB 4.11Å; Y199-P201 HydrophobicContact CE1-CG 3.86Å; Y199-P201 HydrophobicContact CE2-CB 4.2Å; Y199-P201 HydrophobicContact CE2-CG 4.29Å; P201-F205 HydrophobicContact CB-CB 4.33Å; P201-F205 HydrophobicContact CB-CD1 3.85Å; P201-F205 HydrophobicContact CB-CG 4.4Å
202P94.7Very high90.7Very high62 Ų6259 Ų5940%0.40334%0.335SS..PPolyproline II helixtrans-55.2148.5178.8-25.634.2000113.1V172 G204 F205V172-P202 HydrophobicContact CG1-CG 3.84Å; P202-G204 PolarHBondContact O-N 3.29Å; P202-F205 HydrophobicContact CB-CB 4.38Å; P202-F205 WeakPolarHBondContact O-CB 3.48Å; P202-F205 PolarHBondContact O-N 3.42Å
203E94.6Very high89.3Confident206 Ų20661.4 Ų61.496%0.96335%0.347SS*.THydrogen-bonded Turntrans-57.1128.7178.2-171.2177.6-177.100111.1F205E203-F205 VanDerWaalsContact C-N 3.26Å; E203-F205 PolarHBondContact O-N 3.5Å
204G93.5Very high87.5Confident72 Ų7263.4 Ų63.474%0.74236%0.358SS*.THydrogen-bonded Turntrans77.73.3-17700000115P202 I206P202-G204 PolarHBondContact O-N 3.29Å; G204-I206 PolarHBondContact O-N 3.45Å
205F92.3Very high85.7Confident74 Ų7470.8 Ų70.833%0.32540%0.397SS..  trans-62.4127.4173.2177.6-103.8000111T144 F173 P201 P202 E203 P207T144-F205 HydrophobicContact CG2-CE1 4.25Å; F173-F205 HydrophobicContact CD1-CE1 4.29Å; F173-F205 AromaticContact CE1-CD1 3.89Å; F173-F205 HydrophobicContact CE1-CD1 3.89Å; F173-F205 AromaticContact CE1-CD2 3.94Å; F173-F205 HydrophobicContact CE1-CD2 3.94Å; F173-F205 AromaticContact CE1-CE1 3.55Å; F173-F205 HydrophobicContact CE1-CE1 3.55Å; F173-F205 AromaticContact CE1-CE2 3.62Å; F173-F205 HydrophobicContact CE1-CE2 3.62Å; F173-F205 HydrophobicContact CE1-CG 4.07Å; F173-F205 AromaticContact CE1-CZ 3.42Å; F173-F205 HydrophobicContact CE1-CZ 3.42Å; F173-F205 VanDerWaalsContact CE1-CZ 3.42Å; F173-F205 HydrophobicContact CZ-CD2 4.43Å; F173-F205 HydrophobicContact CZ-CE1 4.33Å; F173-F205 AromaticContact CZ-CE2 3.8Å; F173-F205 HydrophobicContact CZ-CE2 3.8Å; F173-F205 AromaticContact CZ-CZ 3.74Å; F173-F205 HydrophobicContact CZ-CZ 3.74Å; P201-F205 HydrophobicContact CB-CB 4.33Å; P201-F205 HydrophobicContact CB-CD1 3.85Å; P201-F205 HydrophobicContact CB-CG 4.4Å; P202-F205 HydrophobicContact CB-CB 4.38Å; P202-F205 WeakPolarHBondContact O-CB 3.48Å; P202-F205 PolarHBondContact O-N 3.42Å; E203-F205 VanDerWaalsContact C-N 3.26Å; E203-F205 PolarHBondContact O-N 3.5Å; F205-P207 HydrophobicContact CD1-CG 4.32Å; F205-P207 HydrophobicContact CE1-CB 4.33Å; F205-P207 HydrophobicContact CE1-CG 3.86Å
206I91Very high84Confident139 Ų13977 Ų7771%0.71343%0.426SS*.  trans-114.2117.1174-59.6174.1000107.1G204 D208G204-I206 PolarHBondContact O-N 3.45Å; I206-D208 PolarHBondContact O-N 3.01Å
207P88.5Confident82.4Confident38 Ų3883 Ų8325%0.24747%0.468CS..  trans-53.2126174.3-30.337.3000112.6T144 H145 F205T144-P207 WeakPolarHBondContact O-CG 3.42Å; H145-P207 WeakPolarHBondContact CE1-CB 3.27Å; H145-P207 PolarHBondContact CE1-O 3.46Å; H145-P207 WeakPolarHBondContact ND1-CB 2.79Å; F205-P207 HydrophobicContact CD1-CG 4.32Å; F205-P207 HydrophobicContact CE1-CB 4.33Å; F205-P207 HydrophobicContact CE1-CG 3.86Å
208D85.3Confident81.1Confident60 Ų6082.8 Ų82.832%0.32147%0.465SS..  trans-137.9111.4-178-1751000110.9N141 I206 S210N141-D208 PolarHBondContact ND2-O 3.08Å; I206-D208 PolarHBondContact O-N 3.01Å; D208-S210 PolarHBondContact O-N 3.16Å; D208-S210 WeakPolarHBondContact OD1-CB 3.25Å; D208-S210 PolarHBondContact OD1-N 3.38Å; D208-S210 PolarHBondContact OD1-OG 2.86Å; D208-S210 PolarHBondContact OD2-OG 3.36Å; D208-S210 VanDerWaalsContact OD2-OG 3.08Å
209L75.6Confident80Confident36 Ų3686.3 Ų86.319%0.18848%0.48CS..THydrogen-bonded Turntrans-72.2-11.1176.8-84.9151.8000114.2L95 A98 N141 I142L95-L209 VanDerWaalsContact CA-CD1 3.47Å; L95-L209 HydrophobicContact CB-CD1 3.76Å; L95-L209 HydrophobicContact CD1-CD1 3.7Å; L95-L209 HydrophobicContact CG-CD1 4.33Å; A98-L209 HydrophobicContact CB-CD1 4.35Å; N141-L209 HydrophobicContact CB-CD2 3.91Å; N141-L209 WeakPolarHBondContact ND2-CA 3.14Å; I142-L209 HydrophobicContact CD1-CD1 4.41Å
210S75.1Confident78.8Confident89 Ų8989.5 Ų89.562%0.62250%0.501SS*.THydrogen-bonded Turntrans-85.2-12.4179.572.70000114.4D208 P212D208-S210 PolarHBondContact O-N 3.16Å; D208-S210 WeakPolarHBondContact OD1-CB 3.25Å; D208-S210 PolarHBondContact OD1-N 3.38Å; D208-S210 PolarHBondContact OD1-OG 2.86Å; D208-S210 PolarHBondContact OD2-OG 3.36Å; D208-S210 VanDerWaalsContact OD2-OG 3.08Å; S210-P212 WeakPolarHBondContact O-CD 3.38Å
211K70.6Confident77.9Confident149 Ų14989.5 Ų89.565%0.64850%0.501SS*.SBendtrans-116.891.1-177.5-66.7-179.6-173.7175.20111.1L213K211-L213 PolarHBondContact O-N 3.31Å
212P63.3Low77.1Confident82 Ų8291.4 Ų91.453%0.53251%0.506SS..  trans-65.1135175.125.4-31.2000110.8S210 L214S210-P212 WeakPolarHBondContact O-CD 3.38Å; P212-L214 PolarHBondContact O-N 3.38Å
213L67.5Low76.3Confident50 Ų5090 Ų9026%0.26250%0.495SS..THydrogen-bonded Turntrans-64.9-5.7-178.5-69.8165.7000114.6L137 L140 Q169 F173 K211 H216L137-L213 HydrophobicContact CD2-CB 4.29Å; L137-L213 HydrophobicContact CD2-CD1 4.22Å; L140-L213 HydrophobicContact CD2-CD1 3.79Å; Q169-L213 PolarHBondContact NE2-O 2.89Å; F173-L213 HydrophobicContact CE2-CD1 3.74Å; F173-L213 HydrophobicContact CE2-CD2 4.25Å; F173-L213 HydrophobicContact CZ-CD1 4.4Å; F173-L213 HydrophobicContact CZ-CD2 4.34Å; K211-L213 PolarHBondContact O-N 3.31Å; L213-H216 PolarHBondContact O-CD2 3.05Å; L213-H216 VanDerWaalsContact O-CD2 3.25Å
214L61.4Low75.6Confident43 Ų4386.8 Ų86.823%0.22548%0.48CS..THydrogen-bonded Turntrans-81.1-12.6-172.9-91.4165.5000115.5L137 L165 P212 H216L137-L214 HydrophobicContact CD1-CB 4.34Å; L137-L214 HydrophobicContact CD1-CD1 3.2Å; L137-L214 HydrophobicContact CD1-CD2 4.12Å; L137-L214 HydrophobicContact CD1-CG 3.25Å; L165-L214 HydrophobicContact CD2-CD2 4.03Å; P212-L214 PolarHBondContact O-N 3.38Å; L214-H216 PolarHBondContact O-N 2.89Å
215D59.6Low75.2Confident155 Ų15586.2 Ų86.283%0.82946%0.46SS*.  trans-76.716.6-173.8-149.521.3000113.7
216H63.2Low74.8Confident129 Ų12988.1 Ų88.160%0.59747%0.473SS*.SBendtrans-84.4131.7173.8-66.6-52000110.3L213 L214 Y218L213-H216 PolarHBondContact O-CD2 3.05Å; L213-H216 VanDerWaalsContact O-CD2 3.25Å; L214-H216 PolarHBondContact O-N 2.89Å; H216-Y218 PolarHBondContact O-N 2.86Å
217S65.3Low74.6Confident127 Ų12784.2 Ų84.289%0.88847%0.467SS*.  trans-61.2101.6168.157.50000109
218Y71.6Confident74.5Confident54 Ų5489.1 Ų89.121%0.21250%0.499CS..  trans-90.5116.4174.5-175.4-107.6000109.2T164 L165 H216 P220 F222 N223T164-Y218 PolarHBondContact OG1-OH 3.25Å; L165-Y218 HydrophobicContact CB-CD1 4.18Å; L165-Y218 HydrophobicContact CB-CD2 3.84Å; L165-Y218 HydrophobicContact CB-CE1 4.23Å; L165-Y218 HydrophobicContact CB-CE2 3.87Å; L165-Y218 HydrophobicContact CB-CG 3.99Å; L165-Y218 HydrophobicContact CD1-CD2 3.62Å; L165-Y218 HydrophobicContact CD1-CE2 4.29Å; L165-Y218 HydrophobicContact CD1-CG 4.01Å; L165-Y218 HydrophobicContact CD2-CD1 4.42Å; L165-Y218 HydrophobicContact CD2-CD2 4.42Å; L165-Y218 HydrophobicContact CD2-CG 3.99Å; L165-Y218 HydrophobicContact CG-CD2 4.14Å; L165-Y218 HydrophobicContact CG-CG 4.2Å; H216-Y218 PolarHBondContact O-N 2.86Å; Y218-P220 WeakPolarHBondContact O-CD 3.14Å; Y218-F222 HydrophobicContact CE2-CB 4.08Å; Y218-F222 HydrophobicContact CE2-CD1 4.01Å; Y218-F222 HydrophobicContact CE2-CG 4.14Å; Y218-F222 WeakPolarHBondContact OH-CD1 3.41Å; Y218-N223 PolarHBondContact OH-ND2 3.38Å; Y218-N223 PolarHBondContact OH-OD1 2.92Å; Y218-N223 VanDerWaalsContact OH-OD1 3.08Å
219D75.6Confident74.5Confident94 Ų9490.2 Ų90.250%0.50351%0.508SS..  trans-79.1116.3173.4-171.7-12.6000109.1D221 F222D219-D221 PolarHBondContact O-N 3.3Å; D219-D221 VanDerWaalsContact O-N 3.15Å; D219-D221 WeakPolarHBondContact OD1-CB 3.22Å; D219-D221 PolarHBondContact OD1-N 3.34Å; D219-F222 WeakPolarHBondContact O-CB 3Å; D219-F222 PolarHBondContact O-N 3.48Å
220P72.7Confident75.1Confident76 Ų7694.4 Ų94.449%0.49452%0.521SS..G310 helixtrans-60.9-20.1176.724.3-32.6000113.1Y218 F222 N223Y218-P220 WeakPolarHBondContact O-CD 3.14Å; P220-F222 PolarHBondContact O-N 3.47Å; P220-N223 WeakPolarHBondContact O-CB 3.39Å; P220-N223 PolarHBondContact O-N 3Å; P220-N223 VanDerWaalsContact O-N 3.1Å
221D79.4Confident75.5Confident106 Ų10695 Ų9557%0.56752%0.517SS*.G310 helixtrans-65.6-16.5172.8-71.3-16.3000112.2D219 N223 Q224 L225D219-D221 PolarHBondContact O-N 3.3Å; D219-D221 VanDerWaalsContact O-N 3.15Å; D219-D221 WeakPolarHBondContact OD1-CB 3.22Å; D219-D221 PolarHBondContact OD1-N 3.34Å; D221-N223 PolarHBondContact O-N 3.05Å; D221-Q224 WeakPolarHBondContact O-CA 3.39Å; D221-Q224 WeakPolarHBondContact O-CB 3.21Å; D221-Q224 PolarHBondContact O-N 3.21Å; D221-L225 PolarHBondContact O-N 2.89Å
222F77.6Confident76.4Confident78 Ų7894 Ų9434%0.34252%0.517SS..G310 helixtrans-56.1-32.3170.1-171.1-91.3000112.1Y218 D219 P220 Q224 L225Y218-F222 HydrophobicContact CE2-CB 4.08Å; Y218-F222 HydrophobicContact CE2-CD1 4.01Å; Y218-F222 HydrophobicContact CE2-CG 4.14Å; Y218-F222 WeakPolarHBondContact OH-CD1 3.41Å; D219-F222 WeakPolarHBondContact O-CB 3Å; D219-F222 PolarHBondContact O-N 3.48Å; P220-F222 PolarHBondContact O-N 3.47Å; F222-Q224 PolarHBondContact O-N 3.15Å; F222-L225 HydrophobicContact CD2-CD1 3.66Å; F222-L225 HydrophobicContact CE2-CD1 3.74Å; F222-L225 HydrophobicContact CG-CD1 4.16Å; F222-L225 HydrophobicContact CZ-CD1 4.32Å; F222-L225 WeakPolarHBondContact O-CB 3.3Å; F222-L225 WeakPolarHBondContact O-CG 3.32Å; F222-L225 PolarHBondContact O-N 2.93Å
223N77.8Confident77.8Confident34 Ų3490.9 Ų90.918%0.18250%0.497CS..G310 helixtrans-72.3-14.8175.5-70.9-38.4000113.9T164 Y218 P220 D221T164-N223 VanDerWaalsContact CB-OD1 3.26Å; T164-N223 WeakPolarHBondContact CB-OD1 3.18Å; T164-N223 VanDerWaalsContact CG2-OD1 3.23Å; T164-N223 WeakPolarHBondContact CG2-OD1 3.33Å; T164-N223 PolarHBondContact OG1-OD1 3.04Å; Y218-N223 PolarHBondContact OH-ND2 3.38Å; Y218-N223 PolarHBondContact OH-OD1 2.92Å; Y218-N223 VanDerWaalsContact OH-OD1 3.08Å; P220-N223 WeakPolarHBondContact O-CB 3.39Å; P220-N223 PolarHBondContact O-N 3Å; P220-N223 VanDerWaalsContact O-N 3.1Å; D221-N223 PolarHBondContact O-N 3.05Å
224Q81.3Confident79.2Confident138 Ų13892.1 Ų92.165%0.64551%0.508SS*.G310 helixtrans-95.40.2178.3-50.5-60.1-2200112.5D221 F222D221-Q224 WeakPolarHBondContact O-CA 3.39Å; D221-Q224 WeakPolarHBondContact O-CB 3.21Å; D221-Q224 PolarHBondContact O-N 3.21Å; F222-Q224 PolarHBondContact O-N 3.15Å
225L83.7Confident80.9Confident59 Ų5994.5 Ų94.531%0.30952%0.516SS..  trans-58.6141.8172.5-70176.3000110.4D221 F222 R230D221-L225 PolarHBondContact O-N 2.89Å; F222-L225 HydrophobicContact CD2-CD1 3.66Å; F222-L225 HydrophobicContact CE2-CD1 3.74Å; F222-L225 HydrophobicContact CG-CD1 4.16Å; F222-L225 HydrophobicContact CZ-CD1 4.32Å; F222-L225 WeakPolarHBondContact O-CB 3.3Å; F222-L225 WeakPolarHBondContact O-CG 3.32Å; F222-L225 PolarHBondContact O-N 2.93Å; L225-R230 HydrophobicContact CB-CB 4.42Å; L225-R230 VanDerWaalsContact O-CB 3.3Å; L225-R230 WeakPolarHBondContact O-CB 3.31Å; L225-R230 WeakPolarHBondContact O-CD 3.47Å; L225-R230 WeakPolarHBondContact O-CG 3.46Å
226D84.7Confident82.6Confident115 Ų11588.8 Ų88.862%0.61549%0.487SS*.  trans-127.5161.1-175.2-80.2-34.6000112.7T229 R230D226-T229 PolarHBondContact O-N 3.36Å; D226-T229 PolarHBondContact O-OG1 2.85Å; D226-R230 IonicContact OD1-NH1 3.58Å
227G87.4Confident84.2Confident57 Ų5787.2 Ų87.259%0.58849%0.487SS*.G310 helixtrans58.3-135.8176.400000112.9T229 R230G227-T229 PolarHBondContact O-N 3.2Å; G227-T229 VanDerWaalsContact O-N 3.17Å; G227-R230 PolarHBondContact O-N 3.28Å
228P86.1Confident85.7Confident140 Ų14081.2 Ų81.291%0.90944%0.444SS*.G310 helixtrans-69-12.5-173.729.6-35.8000114.2
229T85.6Confident86.6Confident84 Ų8479.7 Ų79.752%0.51545%0.445SS..G310 helixtrans-86.8-15.6177.664.10000112.9D226 G227D226-T229 PolarHBondContact O-N 3.36Å; D226-T229 PolarHBondContact O-OG1 2.85Å; G227-T229 PolarHBondContact O-N 3.2Å; G227-T229 VanDerWaalsContact O-N 3.17Å
230R87.1Confident87.3Confident124 Ų12478.8 Ų78.847%0.46844%0.44SS..  trans-85117.5-179.5-169.1-175.6-177.3148.1-0.7110.8L225 D226 G227 I232L225-R230 HydrophobicContact CB-CB 4.42Å; L225-R230 VanDerWaalsContact O-CB 3.3Å; L225-R230 WeakPolarHBondContact O-CB 3.31Å; L225-R230 WeakPolarHBondContact O-CD 3.47Å; L225-R230 WeakPolarHBondContact O-CG 3.46Å; D226-R230 IonicContact OD1-NH1 3.58Å; G227-R230 PolarHBondContact O-N 3.28Å; R230-I232 HydrophobicContact CG-CG1 4.14Å
231I84.2Confident88Confident102 Ų10282.2 Ų82.252%0.52345%0.454SS..  trans-86.8117.9170.9-58.9177.4000108.6
232I88.9Confident88.5Confident126 Ų12682 Ų8265%0.64646%0.46SS*.  trans-105.6113.8175.1-58.3177.1000108.3R230 P234R230-I232 HydrophobicContact CG-CG1 4.14Å; I232-P234 WeakPolarHBondContact O-CD 3.44Å
233V93.2Very high89.1Confident18 Ų1880 Ų8011%0.10946%0.456CS..  trans-70.2125.1169.9172.30000109.3Y167 C179 F235Y167-V233 HydrophobicContact CD1-CG1 4.34Å; Y167-V233 HydrophobicContact CD1-CG2 4.41Å; Y167-V233 HydrophobicContact CD2-CB 3.72Å; Y167-V233 HydrophobicContact CD2-CG1 4.16Å; Y167-V233 HydrophobicContact CD2-CG2 3.5Å; Y167-V233 HydrophobicContact CE1-CG1 4.36Å; Y167-V233 HydrophobicContact CE2-CB 3.96Å; Y167-V233 HydrophobicContact CE2-CG1 4.18Å; Y167-V233 HydrophobicContact CE2-CG2 4.26Å; Y167-V233 HydrophobicContact CG-CB 4.14Å; Y167-V233 HydrophobicContact CG-CG1 4.26Å; Y167-V233 HydrophobicContact CG-CG2 3.61Å; C179-V233 HydrophobicContact CB-CG1 4.35Å; V233-F235 PolarHBondContact O-N 3.39Å
234P96.4Very high89.8Confident76 Ų7681 Ų8149%0.49446%0.458SS..  trans-56.6140.3178.7-25.434.5000111.8L178 C179 I232L178-P234 HydrophobicContact CB-CB 4.27Å; C179-P234 PolarHBondContact N-O 3.21Å; I232-P234 WeakPolarHBondContact O-CD 3.44Å
235F96.5Very high90.3Very high92 Ų9277 Ų7740%0.40444%0.441SS..EExtended strand (participates in β ladder)trans-111.1123.4172.9-175.5-96.3000110.4R159 C179 K181 V233 T237R159-F235 VanDerWaalsContact CZ-CD2 3.42Å; C179-F235 HydrophobicContact CB-CD2 3.98Å; C179-F235 CarbonylContact O-C 3.55Å; C179-F235 VanDerWaalsContact O-CA 3.25Å; C179-F235 WeakPolarHBondContact O-CA 3.29Å; K181-F235 HydrophobicContact CB-CE1 4.17Å; K181-F235 HydrophobicContact CB-CE2 3.94Å; K181-F235 HydrophobicContact CB-CZ 3.4Å; K181-F235 VanDerWaalsContact CB-CZ 3.4Å; K181-F235 HydrophobicContact CG-CZ 4.14Å; V233-F235 PolarHBondContact O-N 3.39Å; F235-T237 HydrophobicContact CE1-CG2 3.92Å
236V97.2Very high90.8Very high36 Ų3674.4 Ų74.422%0.21843%0.428CS..EExtended strand (participates in β ladder)trans-121.8130-175.5-1780000110E35 F36 L178 C179 A180 K181E35-V236 HydrophobicContact CG-CG1 3.87Å; F36-V236 HydrophobicContact CE1-CG1 4.37Å; F36-V236 HydrophobicContact CE1-CG2 4.47Å; F36-V236 HydrophobicContact CZ-CB 3.98Å; F36-V236 HydrophobicContact CZ-CG1 3.89Å; F36-V236 HydrophobicContact CZ-CG2 4.36Å; L178-V236 HydrophobicContact CD1-CG2 4.36Å; C179-V236 PolarHBondContact O-N 2.92Å; A180-V236 CarbonylContact C-O 3.53Å; A180-V236 VanDerWaalsContact CA-O 3.24Å; A180-V236 WeakPolarHBondContact CA-O 3.5Å; K181-V236 PolarHBondContact N-O 2.84Å
237T95.6Very high91.2Very high96 Ų9672 Ų7259%0.58942%0.415SS*.EExtended strand (participates in β ladder)trans-91.2125.4170.858.10000109.7K181 F235K181-T237 WeakPolarHBondContact O-CA 3.35Å; F235-T237 HydrophobicContact CE1-CG2 3.92Å
238C96.2Very high91.4Very high0 Ų076.2 Ų76.20%041%0.413CS..EExtended strand (participates in β ladder)trans-105.3129.6-175.9-50.40000111.4Q31 E35 F36 K181 P182 R183Q31-C238 HydrophobicContact CB-CB 4.16Å; E35-C238 HydrophobicContact CB-CB 4.29Å; F36-C238 VanDerWaalsContact CE2-SG 3.55Å; K181-C238 PolarHBondContact O-N 3.28Å; P182-C238 CarbonylContact C-O 3.56Å; P182-C238 WeakPolarHBondContact CA-O 3.35Å; R183-C238 PolarHBondContact N-O 3.18Å
239G90.6Very high91.7Very high23 Ų2373.1 Ų73.124%0.23740%0.395CS..SBendtrans122.6150179.400000112.6
240D90.3Very high92Very high74 Ų7471.2 Ų71.240%0.39638%0.379SS..  trans-74.8153.3-174.5-174.422.6000112.3R183 S242 S243R183-D240 WeakPolarHBondContact CD-O 3.47Å; D240-S242 PolarHBondContact O-N 3.18Å; D240-S242 WeakPolarHBondContact OD2-CB 3.31Å; D240-S242 PolarHBondContact OD2-OG 3.22Å; D240-S243 WeakPolarHBondContact O-CB 3.47Å; D240-S243 PolarHBondContact O-N 3.21Å; D240-S243 PolarHBondContact O-OG 3.28Å
241L88.2Confident92.1Very high149 Ų14969.6 Ų69.678%0.7838%0.384SS*.THydrogen-bonded Turntrans-64-25.8175.1-65-178000112.6S243L241-S243 PolarHBondContact O-N 3.34Å
242S89.6Confident92.1Very high100 Ų10065.9 Ų65.970%0.69937%0.365SS*.THydrogen-bonded Turntrans-73.2-12.1172.8740000113.7D240D240-S242 PolarHBondContact O-N 3.18Å; D240-S242 WeakPolarHBondContact OD2-CB 3.31Å; D240-S242 PolarHBondContact OD2-OG 3.22Å
243S89.7Confident91.8Very high37 Ų3764.4 Ų64.426%0.25936%0.359SS..SBendtrans-71.2153-179-61.40000111.8D240 L241D240-S243 WeakPolarHBondContact O-CB 3.47Å; D240-S243 PolarHBondContact O-N 3.21Å; D240-S243 PolarHBondContact O-OG 3.28Å; L241-S243 PolarHBondContact O-N 3.34Å
244Y92.3Very high90.8Very high56 Ų5665 Ų6522%0.2236%0.361CS..PPolyproline II helixtrans-59.3147.5174.5-60.6-73000112.8V11 Y12 L15 Y250 L254V11-Y244 HydrophobicContact CB-CG 4.44Å; V11-Y244 HydrophobicContact CG1-CG 4.11Å; V11-Y244 HydrophobicContact CG2-CD1 3.95Å; V11-Y244 HydrophobicContact CG2-CD2 3.62Å; V11-Y244 HydrophobicContact CG2-CE1 4.31Å; V11-Y244 HydrophobicContact CG2-CE2 3.98Å; V11-Y244 HydrophobicContact CG2-CG 3.59Å; Y12-Y244 PolarHBondContact OH-O 2.7Å; Y12-Y244 VanDerWaalsContact OH-O 3.07Å; L15-Y244 HydrophobicContact CD1-CD2 3.72Å; L15-Y244 HydrophobicContact CD1-CE2 3.85Å; Y244-Y250 AromaticContact CD1-CD1 3.85Å; Y244-Y250 HydrophobicContact CD1-CD1 3.85Å; Y244-Y250 HydrophobicContact CD1-CD2 4.33Å; Y244-Y250 AromaticContact CD1-CE1 3.55Å; Y244-Y250 HydrophobicContact CD1-CE1 3.55Å; Y244-Y250 HydrophobicContact CD1-CE2 4.05Å; Y244-Y250 HydrophobicContact CD1-CG 4.23Å; Y244-Y250 AromaticContact CD1-CZ 3.65Å; Y244-Y250 HydrophobicContact CE1-CD1 4.1Å; Y244-Y250 HydrophobicContact CE1-CE1 4.13Å; Y244-Y250 HydrophobicContact CG-CE2 4.48Å; Y244-L254 HydrophobicContact CE1-CD2 3.96Å
245D93Very high89.4Confident52 Ų5269 Ų6928%0.27837%0.373SS..PPolyproline II helixtrans-81.9121.2170.7-179.5-14.3000109D247 R248 Y250D245-D247 PolarHBondContact O-N 2.84Å; D245-D247 PolarHBondContact OD1-N 3.39Å; D245-R248 HydrophobicContact CB-CB 4.06Å; D245-R248 HydrophobicContact CB-CG 3.94Å; D245-R248 PolarHBondContact O-N 3.28Å; D245-R248 WeakPolarHBondContact OD2-CD 3.15Å; D245-R248 WeakPolarHBondContact OD2-CG 3.37Å; D245-Y250 WeakPolarHBondContact CB-OH 3.48Å; D245-Y250 PolarHBondContact N-OH 3.42Å; D245-Y250 WeakPolarHBondContact O-CE2 3.26Å
246S93.9Very high87.9Confident5 Ų568.7 Ų68.74%0.03540%0.396CS..THydrogen-bonded Turntrans-72.5-12.4-175.5590000114.5R183 S185 R186R183-S246 VanDerWaalsContact O-CB 3.26Å; R183-S246 WeakPolarHBondContact O-CB 3.38Å; R183-S246 PolarHBondContact O-OG 2.77Å; S185-S246 VanDerWaalsContact C-OG 3.23Å; S185-S246 PolarHBondContact O-OG 3.17Å; R186-S246 VanDerWaalsContact CA-OG 3.28Å; R186-S246 WeakPolarHBondContact CA-OG 3.36Å; R186-S246 PolarHBondContact N-OG 3.24Å
247D92.9Very high86.5Confident65 Ų6570.7 Ų70.735%0.34842%0.424SS..THydrogen-bonded Turntrans-93.9-14.6174.3-67.5-69.7000112.6R186 N187 S188 D245R186-D247 WeakPolarHBondContact CB-OD1 3.13Å; N187-D247 WeakPolarHBondContact CA-OD2 3.44Å; N187-D247 WeakPolarHBondContact CB-OD2 3.39Å; N187-D247 PolarHBondContact N-OD2 3.3Å; S188-D247 PolarHBondContact OG-OD1 3.05Å; D245-D247 PolarHBondContact O-N 2.84Å; D245-D247 PolarHBondContact OD1-N 3.39Å
248R92.8Very high85.4Confident145 Ų14570.1 Ų70.155%0.54742%0.424SS..SBendtrans-88.5150.5179.2-72.1-179.465.8-174.1-0.3112.7D245 Y250D245-R248 HydrophobicContact CB-CB 4.06Å; D245-R248 HydrophobicContact CB-CG 3.94Å; D245-R248 PolarHBondContact O-N 3.28Å; D245-R248 WeakPolarHBondContact OD2-CD 3.15Å; D245-R248 WeakPolarHBondContact OD2-CG 3.37Å; R248-Y250 HydrophobicContact CB-CD2 4.46Å; R248-Y250 HydrophobicContact CB-CE2 3.71Å
249S92.2Very high84.7Confident76 Ų7678.7 Ų78.753%0.53146%0.464SS..  trans-91.7142.7166.6-610000110.3K8K8-S249 CarbonylContact O-C 3.48Å; K8-S249 WeakPolarHBondContact O-CA 3.36Å; K8-S249 WeakPolarHBondContact O-CB 3.41Å
250Y90.9Very high84.5Confident43 Ų4379.3 Ų79.317%0.16946%0.459CS..  trans-122.6149.8-179.3-67.8-91.6000111K8 V11 Y244 D245 R248 L254K8-Y250 PolarHBondContact O-N 3.31Å; V11-Y250 HydrophobicContact CB-CD2 3.84Å; V11-Y250 HydrophobicContact CB-CE2 4.35Å; V11-Y250 HydrophobicContact CG1-CD2 4.05Å; V11-Y250 HydrophobicContact CG1-CE2 4.06Å; V11-Y250 HydrophobicContact CG2-CD2 4.2Å; Y244-Y250 AromaticContact CD1-CD1 3.85Å; Y244-Y250 HydrophobicContact CD1-CD1 3.85Å; Y244-Y250 HydrophobicContact CD1-CD2 4.33Å; Y244-Y250 AromaticContact CD1-CE1 3.55Å; Y244-Y250 HydrophobicContact CD1-CE1 3.55Å; Y244-Y250 HydrophobicContact CD1-CE2 4.05Å; Y244-Y250 HydrophobicContact CD1-CG 4.23Å; Y244-Y250 AromaticContact CD1-CZ 3.65Å; Y244-Y250 HydrophobicContact CE1-CD1 4.1Å; Y244-Y250 HydrophobicContact CE1-CE1 4.13Å; Y244-Y250 HydrophobicContact CG-CE2 4.48Å; D245-Y250 WeakPolarHBondContact CB-OH 3.48Å; D245-Y250 PolarHBondContact N-OH 3.42Å; D245-Y250 WeakPolarHBondContact O-CE2 3.26Å; R248-Y250 HydrophobicContact CB-CD2 4.46Å; R248-Y250 HydrophobicContact CB-CE2 3.71Å; Y250-L254 HydrophobicContact CG-CD2 4.37Å
251P88.6Confident84.3Confident90 Ų9083.9 Ų83.958%0.58448%0.476SS*.  trans-55.1155.4169.1-24.335.1000112.2R14 D253R14-P251 PolarHBondContact NH1-O 3.23Å; P251-D253 VanDerWaalsContact C-N 3.27Å; P251-D253 PolarHBondContact O-N 3.33Å
252L85.3Confident84.3Confident24 Ų2481.1 Ų81.113%0.12646%0.456CS..SBendtrans-72.3-23.6177.5-71.4176.5000112.2T4 D7 K8 R14 L254 Y260T4-L252 HydrophobicContact CG2-CD1 4.25Å; D7-L252 HydrophobicContact CB-CD2 3.97Å; K8-L252 HydrophobicContact CD-CD1 4.48Å; K8-L252 HydrophobicContact CD-CG 4.26Å; K8-L252 HydrophobicContact CG-CD1 4.21Å; K8-L252 HydrophobicContact CG-CD2 3.62Å; K8-L252 HydrophobicContact CG-CG 3.63Å; R14-L252 PolarHBondContact NH1-O 3.07Å; R14-L252 PolarHBondContact NH2-O 3.18Å; L252-L254 PolarHBondContact O-N 3.24Å; L252-Y260 HydrophobicContact CB-CD1 4.32Å; L252-Y260 HydrophobicContact CB-CD2 4.02Å; L252-Y260 HydrophobicContact CB-CG 3.74Å; L252-Y260 HydrophobicContact CD1-CD1 3.84Å; L252-Y260 HydrophobicContact CD1-CE1 4.1Å; L252-Y260 HydrophobicContact CD1-CG 4.11Å; L252-Y260 HydrophobicContact CD2-CD1 4.48Å; L252-Y260 HydrophobicContact CD2-CD2 3.9Å; L252-Y260 HydrophobicContact CD2-CE1 4.44Å; L252-Y260 HydrophobicContact CD2-CE2 3.83Å; L252-Y260 HydrophobicContact CD2-CG 4.21Å; L252-Y260 HydrophobicContact CG-CD1 4.44Å; L252-Y260 HydrophobicContact CG-CD2 4.37Å; L252-Y260 HydrophobicContact CG-CG 4.22Å
253D82.3Confident84.4Confident95 Ų9578.6 Ų78.651%0.50844%0.436SS..  trans-95.294175.7-48.1-52000107.4P251 Y260P251-D253 VanDerWaalsContact C-N 3.27Å; P251-D253 PolarHBondContact O-N 3.33Å; D253-Y260 PolarHBondContact OD1-N 2.54Å; D253-Y260 VanDerWaalsContact OD1-N 3.1Å
254L72Confident84.4Confident32 Ų3280.5 Ų80.517%0.16845%0.448CS..  trans-76.3-28.4-169.1-77.7170.2000113.5V11 R14 Y244 Y250 L252V11-L254 HydrophobicContact CG2-CD1 4.36Å; R14-L254 VanDerWaalsContact CZ-CD1 3.43Å; R14-L254 VanDerWaalsContact NH1-CG 3.3Å; Y244-L254 HydrophobicContact CE1-CD2 3.96Å; Y250-L254 HydrophobicContact CG-CD2 4.37Å; L252-L254 PolarHBondContact O-N 3.24Å
255E68.4Low84.4Confident159 Ų15980.2 Ų80.274%0.74345%0.452SS*.SBendtrans-178.7153.9174.6-101.3149.1-136.800110.4
256G64.7Low84.3Confident86 Ų8680.6 Ų80.689%0.88746%0.457SS*.THydrogen-bonded Turntrans852.2167.800000118.3S258G256-S258 PolarHBondContact O-N 2.88Å
257G66.3Low84.2Confident78 Ų7883.1 Ų83.180%0.80447%0.468SS*.THydrogen-bonded Turntrans754176.700000115.2E259G257-E259 PolarHBondContact O-N 3.43Å
258S73.1Confident83.9Confident84 Ų8483.7 Ų83.759%0.58748%0.475SS*.PPolyproline II helixtrans-71.4123.4170.558.40000110.3G256 Y260G256-S258 PolarHBondContact O-N 2.88Å; S258-Y260 PolarHBondContact O-N 3.48Å
259E82.2Confident83.6Confident179 Ų17980.8 Ų80.884%0.83648%0.475SS*.PPolyproline II helixtrans-58.9133.4175.7-171.4179.9-178.300110.8G257 K261G257-E259 PolarHBondContact O-N 3.43Å; E259-K261 PolarHBondContact O-N 3.46Å
260Y85.2Confident83.3Confident36 Ų3681.5 Ų81.514%0.14147%0.472CS..PPolyproline II helixtrans-51.9123.1174167.6-98.2000112.7T4 D7 L252 D253 S258T4-Y260 HydrophobicContact CG2-CE1 3.84Å; D7-Y260 HydrophobicContact CB-CE2 4.48Å; D7-Y260 PolarHBondContact OD2-OH 3.16Å; L252-Y260 HydrophobicContact CB-CD1 4.32Å; L252-Y260 HydrophobicContact CB-CD2 4.02Å; L252-Y260 HydrophobicContact CB-CG 3.74Å; L252-Y260 HydrophobicContact CD1-CD1 3.84Å; L252-Y260 HydrophobicContact CD1-CE1 4.1Å; L252-Y260 HydrophobicContact CD1-CG 4.11Å; L252-Y260 HydrophobicContact CD2-CD1 4.48Å; L252-Y260 HydrophobicContact CD2-CD2 3.9Å; L252-Y260 HydrophobicContact CD2-CE1 4.44Å; L252-Y260 HydrophobicContact CD2-CE2 3.83Å; L252-Y260 HydrophobicContact CD2-CG 4.21Å; L252-Y260 HydrophobicContact CG-CD1 4.44Å; L252-Y260 HydrophobicContact CG-CD2 4.37Å; L252-Y260 HydrophobicContact CG-CG 4.22Å; D253-Y260 PolarHBondContact OD1-N 2.54Å; D253-Y260 VanDerWaalsContact OD1-N 3.1Å; S258-Y260 PolarHBondContact O-N 3.48Å
261K86.7Confident82.9Confident170 Ų17082.4 Ų82.474%0.73949%0.485SS*.  trans-105.6121.7170.8-172.8176.2179.5179.30110E259 T263E259-K261 PolarHBondContact O-N 3.46Å; K261-T263 PolarHBondContact O-N 3.01Å
262Y88.8Confident82.6Confident92 Ų9279.1 Ų79.136%0.36146%0.464SS..  trans-62.6122.7172.5172.9-95.2000110.8R3 P264R3-Y262 HydrophobicContact CB-CD2 4.44Å; R3-Y262 HydrophobicContact CB-CE2 4.04Å; Y262-P264 HydrophobicContact CE1-CB 4.25Å
263T90.6Very high82.2Confident47 Ų4783.8 Ų83.829%0.28850%0.495SS..  trans-108.7129.9170.4-53.80000109.1K17 K261K17-T263 HydrophobicContact CB-CG2 4.26Å; K17-T263 WeakPolarHBondContact CD-O 3.48Å; K17-T263 PolarHBondContact NZ-O 2.82Å; K17-T263 WeakPolarHBondContact O-CG2 3.36Å; K261-T263 PolarHBondContact O-N 3.01Å
264P90.5Very high82.3Confident77 Ų7786.1 Ų86.150%0.550%0.498SS..  trans-67.5162.4173.130-34.8000111.3Y262 T266Y262-P264 HydrophobicContact CE1-CB 4.25Å; P264-T266 PolarHBondContact O-N 3.03Å
265P91.1Very high82.9Confident49 Ų4989.5 Ų89.532%0.31851%0.513SS..  trans-53.9135.9169.9-23.434.1000111.1Q267P265-Q267 PolarHBondContact O-N 3.44Å
266T92.5Very high83.9Confident61 Ų6188.8 Ų88.837%0.37451%0.509SS..SBendtrans-56.3-38.7179.2-53.30000112G20 W21 P264G20-T266 VanDerWaalsContact C-OG1 3.28Å; G20-T266 WeakPolarHBondContact CA-OG1 3.47Å; G20-T266 WeakPolarHBondContact O-CG2 3.1Å; W21-T266 PolarHBondContact O-OG1 3.18Å; P264-T266 PolarHBondContact O-N 3.03Å
267Q91.9Very high85Confident57 Ų5786.8 Ų86.827%0.26648%0.484SS..SBendtrans-135.4114.6175.1-178.757.555.400109.1R22 A80 P265R22-Q267 HydrophobicContact CB-CB 4.45Å; R22-Q267 HydrophobicContact CG-CB 3.86Å; A80-Q267 HydrophobicContact CB-CG 3.78Å; P265-Q267 PolarHBondContact O-N 3.44Å
268P86.8Confident86Confident77 Ų7785.7 Ų85.750%0.546%0.464SS..  trans-68.5155.2170.529-34.5000110.9
269P84.7Confident86.8Confident85 Ų8584.3 Ų84.355%0.55245%0.452SS*.  trans-56.5138.1173-22.332.7000111.5P272P269-P272 HydrophobicContact CB-CB 4.17Å
270I87.6Confident87.3Confident90 Ų9078.3 Ų78.346%0.46243%0.425SS..SBendtrans-70.2-51.3174.9-69.1173.3000110A78 M79 A80A78-I270 HydrophobicContact CB-CD1 4.31Å; M79-I270 VanDerWaalsContact C-CD1 3.41Å; A80-I270 HydrophobicContact CB-CD1 4.17Å; A80-I270 VanDerWaalsContact N-CD1 3.35Å
271S81.8Confident87.5Confident63 Ų6384 Ų8444%0.44145%0.451SS..SBendtrans-119.286.3175.146.40000109.8
272P81.7Confident87.7Confident21 Ų2186.2 Ų86.214%0.13646%0.455CS..  trans-64.7140.2-179.619.8-25.6000111.3P269 Y274 Q275P269-P272 HydrophobicContact CB-CB 4.17Å; P272-Y274 HydrophobicContact CB-CD1 3.89Å; P272-Y274 HydrophobicContact CB-CD2 4.24Å; P272-Y274 HydrophobicContact CB-CE1 3.4Å; P272-Y274 VanDerWaalsContact CB-CE1 3.4Å; P272-Y274 HydrophobicContact CB-CE2 3.79Å; P272-Y274 HydrophobicContact CB-CG 4.28Å; P272-Y274 HydrophobicContact CG-CD2 4.48Å; P272-Y274 HydrophobicContact CG-CE1 4.38Å; P272-Y274 HydrophobicContact CG-CE2 3.9Å; P272-Y274 PolarHBondContact O-N 3.37Å; P272-Q275 HydrophobicContact CG-CB 4.14Å; P272-Q275 WeakPolarHBondContact O-CB 3.28Å; P272-Q275 PolarHBondContact O-N 3.08Å
273P77.9Confident87.8Confident121 Ų12188.6 Ų88.679%0.78647%0.467SS*.THydrogen-bonded Turntrans-56.1-29.7-179.3-27.534000114.3Q275P273-Q275 VanDerWaalsContact C-N 3.27Å; P273-Q275 PolarHBondContact O-N 2.83Å
274Y82.9Confident87.6Confident145 Ų14589.3 Ų89.357%0.56948%0.484SS*.Hα-helixtrans-79.8-2.9178.657.3-98.4000114P272 E276 A277 C278P272-Y274 HydrophobicContact CB-CD1 3.89Å; P272-Y274 HydrophobicContact CB-CD2 4.24Å; P272-Y274 HydrophobicContact CB-CE1 3.4Å; P272-Y274 VanDerWaalsContact CB-CE1 3.4Å; P272-Y274 HydrophobicContact CB-CE2 3.79Å; P272-Y274 HydrophobicContact CB-CG 4.28Å; P272-Y274 HydrophobicContact CG-CD2 4.48Å; P272-Y274 HydrophobicContact CG-CE1 4.38Å; P272-Y274 HydrophobicContact CG-CE2 3.9Å; P272-Y274 PolarHBondContact O-N 3.37Å; Y274-E276 VanDerWaalsContact C-N 3.33Å; Y274-E276 PolarHBondContact O-N 3.28Å; Y274-A277 PolarHBondContact O-N 3.34Å; Y274-C278 WeakPolarHBondContact O-CB 3.28Å; Y274-C278 PolarHBondContact O-N 3.49Å; Y274-C278 PolarHBondContact O-SG 3.4Å
275Q86.4Confident87.5Confident103 Ų10391.6 Ų91.648%0.48149%0.488SS..Hα-helixtrans-60.4-43-178-174.6173.3100111.8P272 P273 C278 T279P272-Q275 HydrophobicContact CG-CB 4.14Å; P272-Q275 WeakPolarHBondContact O-CB 3.28Å; P272-Q275 PolarHBondContact O-N 3.08Å; P273-Q275 VanDerWaalsContact C-N 3.27Å; P273-Q275 PolarHBondContact O-N 2.83Å; Q275-C278 PolarHBondContact O-N 3.25Å; Q275-T279 WeakPolarHBondContact O-CB 3.22Å; Q275-T279 PolarHBondContact O-N 3.05Å; Q275-T279 PolarHBondContact O-OG1 3.46Å
276E87.7Confident87.2Confident143 Ų14392.9 Ų92.967%0.66849%0.492SS*.Hα-helixtrans-65.4-49.6177.4-174.5177.2-175.300110.8Y274 C278 T279 L280Y274-E276 VanDerWaalsContact C-N 3.33Å; Y274-E276 PolarHBondContact O-N 3.28Å; E276-C278 VanDerWaalsContact C-N 3.29Å; E276-C278 PolarHBondContact O-N 2.82Å; E276-T279 CarbonylContact O-C 3.59Å; E276-T279 WeakPolarHBondContact O-CA 3.45Å; E276-T279 WeakPolarHBondContact O-CB 3.37Å; E276-T279 PolarHBondContact O-N 3.5Å; E276-L280 HydrophobicContact CG-CD1 4.15Å; E276-L280 HydrophobicContact CG-CG 4.37Å; E276-L280 WeakPolarHBondContact O-CG 3.22Å; E276-L280 PolarHBondContact O-N 3.43Å
277A88.3Confident86.7Confident44 Ų4494.5 Ų94.536%0.36451%0.511SS..Hα-helixtrans-57.3-40.9176.500000112.3Y274 T279 K281Y274-A277 PolarHBondContact O-N 3.34Å; A277-T279 VanDerWaalsContact C-N 3.34Å; A277-T279 PolarHBondContact O-N 3Å; A277-K281 VanDerWaalsContact O-CB 3.25Å; A277-K281 WeakPolarHBondContact O-CB 3.37Å; A277-K281 PolarHBondContact O-N 3.31Å
278C87.5Confident86.1Confident55 Ų55100.6 Ų100.637%0.37254%0.537SS..Hα-helixtrans-63.5-38.8173.6-74.90000112.3Y274 Q275 E276 R282Y274-C278 WeakPolarHBondContact O-CB 3.28Å; Y274-C278 PolarHBondContact O-N 3.49Å; Y274-C278 PolarHBondContact O-SG 3.4Å; Q275-C278 PolarHBondContact O-N 3.25Å; E276-C278 VanDerWaalsContact C-N 3.29Å; E276-C278 PolarHBondContact O-N 2.82Å; C278-R282 WeakPolarHBondContact O-CB 3.39Å; C278-R282 VanDerWaalsContact O-CG 3.26Å; C278-R282 WeakPolarHBondContact O-CG 3.4Å; C278-R282 PolarHBondContact O-N 3.39Å
279T90.9Very high85.7Confident56 Ų56105.5 Ų105.534%0.34455%0.553SS.*Hα-helixtrans-67.4-47.5177.2-57.40000111.2Q275 E276 A277 K281 R282 K283Q275-T279 WeakPolarHBondContact O-CB 3.22Å; Q275-T279 PolarHBondContact O-N 3.05Å; Q275-T279 PolarHBondContact O-OG1 3.46Å; E276-T279 CarbonylContact O-C 3.59Å; E276-T279 WeakPolarHBondContact O-CA 3.45Å; E276-T279 WeakPolarHBondContact O-CB 3.37Å; E276-T279 PolarHBondContact O-N 3.5Å; A277-T279 VanDerWaalsContact C-N 3.34Å; A277-T279 PolarHBondContact O-N 3Å; T279-K281 VanDerWaalsContact C-N 3.33Å; T279-K281 PolarHBondContact O-N 2.87Å; T279-R282 PolarHBondContact O-N 3.39Å; T279-K283 HydrophobicContact CG2-CD 4.3Å; T279-K283 WeakPolarHBondContact O-CG 3.35Å; T279-K283 PolarHBondContact O-N 2.75Å
280L91.2Very high85.2Confident52 Ų52106.7 Ų106.727%0.27255%0.554SS.*Hα-helixtrans-60.6-42.1175.6-68.5174.5000111.4E276 R282 K283 G284 Q285 L286E276-L280 HydrophobicContact CG-CD1 4.15Å; E276-L280 HydrophobicContact CG-CG 4.37Å; E276-L280 WeakPolarHBondContact O-CG 3.22Å; E276-L280 PolarHBondContact O-N 3.43Å; L280-R282 PolarHBondContact O-N 2.7Å; L280-K283 CarbonylContact O-C 3.54Å; L280-K283 PolarHBondContact O-N 3.34Å; L280-G284 PolarHBondContact O-N 3.06Å; L280-Q285 HydrophobicContact CD2-CB 3.93Å; L280-Q285 PolarHBondContact O-N 2.8Å; L280-L286 HydrophobicContact CB-CB 4.2Å; L280-L286 HydrophobicContact CB-CD1 4.22Å; L280-L286 HydrophobicContact CD1-CD1 4.46Å; L280-L286 PolarHBondContact O-N 3.42Å
281K90Very high84.5Confident156 Ų156109.5 Ų109.568%0.67856%0.559SS**Hα-helixtrans-61.3-44.5175.6-173.2175-179.2174.90111.8A277 T279 K283 G284 L286A277-K281 VanDerWaalsContact O-CB 3.25Å; A277-K281 WeakPolarHBondContact O-CB 3.37Å; A277-K281 PolarHBondContact O-N 3.31Å; T279-K281 VanDerWaalsContact C-N 3.33Å; T279-K281 PolarHBondContact O-N 2.87Å; K281-K283 VanDerWaalsContact C-N 3.3Å; K281-K283 PolarHBondContact O-N 3Å; K281-G284 PolarHBondContact O-N 3.23Å; K281-G284 VanDerWaalsContact O-N 3.16Å; K281-L286 HydrophobicContact CB-CB 4.34Å; K281-L286 HydrophobicContact CB-CD2 4.1Å; K281-L286 HydrophobicContact CG-CD2 4.45Å
282R90.6Very high84Confident217 Ų217112.1 Ų112.182%0.81957%0.574SS**Hα-helixtrans-63-35.9175.9-75.8172.3-177179.21.6112.3C278 T279 L280 G284C278-R282 WeakPolarHBondContact O-CB 3.39Å; C278-R282 VanDerWaalsContact O-CG 3.26Å; C278-R282 WeakPolarHBondContact O-CG 3.4Å; C278-R282 PolarHBondContact O-N 3.39Å; T279-R282 PolarHBondContact O-N 3.39Å; L280-R282 PolarHBondContact O-N 2.7Å; R282-G284 VanDerWaalsContact C-N 3.27Å; R282-G284 PolarHBondContact O-N 2.91Å
283K92.1Very high83.6Confident141 Ų141117.7 Ų117.761%0.61360%0.598SS**THydrogen-bonded Turntrans-80.6-1.9176.3-68.5-179.1179-178.70113.8T279 L280 K281 Q285T279-K283 HydrophobicContact CG2-CD 4.3Å; T279-K283 WeakPolarHBondContact O-CG 3.35Å; T279-K283 PolarHBondContact O-N 2.75Å; L280-K283 CarbonylContact O-C 3.54Å; L280-K283 PolarHBondContact O-N 3.34Å; K281-K283 VanDerWaalsContact C-N 3.3Å; K281-K283 PolarHBondContact O-N 3Å; K283-Q285 HydrophobicContact CB-CB 4.4Å; K283-Q285 HydrophobicContact CB-CG 3.99Å; K283-Q285 PolarHBondContact O-N 3.31Å
284G86.3Confident83.2Confident63 Ų63116.3 Ų116.365%0.64958%0.584SS**THydrogen-bonded Turntrans66.615.6-174.600000114.3L280 K281 R282L280-G284 PolarHBondContact O-N 3.06Å; K281-G284 PolarHBondContact O-N 3.23Å; K281-G284 VanDerWaalsContact O-N 3.16Å; R282-G284 VanDerWaalsContact C-N 3.27Å; R282-G284 PolarHBondContact O-N 2.91Å
285Q87.7Confident81.9Confident125 Ų125112.3 Ų112.358%0.58458%0.577SS**  trans-96.8-6.9-177-69176-33.800113L280 K283 A287L280-Q285 HydrophobicContact CD2-CB 3.93Å; L280-Q285 PolarHBondContact O-N 2.8Å; K283-Q285 HydrophobicContact CB-CB 4.4Å; K283-Q285 HydrophobicContact CB-CG 3.99Å; K283-Q285 PolarHBondContact O-N 3.31Å; Q285-A287 PolarHBondContact O-N 2.81Å
286L85Confident80.7Confident75 Ų75113 Ų11339%0.39359%0.59SS.*SBendtrans-67.6125.3175.2-167.970.2000108.8L280 K281 K288L280-L286 HydrophobicContact CB-CB 4.2Å; L280-L286 HydrophobicContact CB-CD1 4.22Å; L280-L286 HydrophobicContact CD1-CD1 4.46Å; L280-L286 PolarHBondContact O-N 3.42Å; K281-L286 HydrophobicContact CB-CB 4.34Å; K281-L286 HydrophobicContact CB-CD2 4.1Å; K281-L286 HydrophobicContact CG-CD2 4.45Å; L286-K288 PolarHBondContact O-N 3.12Å
287A81.5Confident79Confident95 Ų95113 Ų11379%0.78559%0.593SS**PPolyproline II helixtrans-50.2127.1176.600000109.7Q285Q285-A287 PolarHBondContact O-N 2.81Å
288K80.1Confident77Confident185 Ų185116 Ų11680%0.80461%0.611SS**PPolyproline II helixtrans-83.3143.5171.9-66.1178-177.21730107.5L286 I290L286-K288 PolarHBondContact O-N 3.12Å; K288-I290 PolarHBondContact O-N 2.94Å; K288-I290 VanDerWaalsContact O-N 3.13Å
289E77.5Confident75Confident180 Ų180123.7 Ų123.784%0.84163%0.632SS**PPolyproline II helixtrans-53.8121.2169-167.9170.9-17100108.5R291E289-R291 PolarHBondContact O-N 3.42Å; E289-R291 VanDerWaalsContact O-N 3.09Å
290I74.1Confident72.9Confident110 Ų110126.5 Ų126.556%0.56465%0.649SS**  trans-69109.4174-57.9173000105K288 D294 C295K288-I290 PolarHBondContact O-N 2.94Å; K288-I290 VanDerWaalsContact O-N 3.13Å; I290-D294 HydrophobicContact CG2-CB 4.18Å; I290-C295 HydrophobicContact CG2-CB 4.46Å
291R72.9Confident70.5Confident150 Ų150130.5 Ų130.557%0.56667%0.671SS**  trans-63.3147173.4-68.5-176.3-80.6-162.3-7.9107.9E289 Q293 D294E289-R291 PolarHBondContact O-N 3.42Å; E289-R291 VanDerWaalsContact O-N 3.09Å; R291-Q293 HydrophobicContact CB-CG 3.91Å; R291-Q293 PolarHBondContact O-N 2.97Å; R291-D294 IonicContact NE-OD2 3.53Å; R291-D294 PolarHBondContact NE-OD2 3.36Å; R291-D294 WeakPolarHBondContact O-CA 3.34Å; R291-D294 PolarHBondContact O-N 2.69Å
292P72.5Confident68.1Low118 Ų118129.4 Ų129.477%0.76668%0.678SS**G310 helixtrans-50.4-31.5179.8-28.334.4000113.9D294P292-D294 VanDerWaalsContact C-N 3.35Å; P292-D294 PolarHBondContact O-N 2.84Å
293Q72.9Confident65.6Low138 Ų138127.8 Ų127.865%0.64568%0.677SS**G310 helixtrans-71.4-19.6175.665.4-121.442.300115.8R291R291-Q293 HydrophobicContact CB-CG 3.91Å; R291-Q293 PolarHBondContact O-N 2.97Å
294D69.8Low63.1Low92 Ų92126.7 Ų126.749%0.49268%0.684SS.*G310 helixtrans-101.52.4-176-60.7-37000111.3I290 R291 P292 P296I290-D294 HydrophobicContact CG2-CB 4.18Å; R291-D294 IonicContact NE-OD2 3.53Å; R291-D294 PolarHBondContact NE-OD2 3.36Å; R291-D294 WeakPolarHBondContact O-CA 3.34Å; R291-D294 PolarHBondContact O-N 2.69Å; P292-D294 VanDerWaalsContact C-N 3.35Å; P292-D294 PolarHBondContact O-N 2.84Å; D294-P296 VanDerWaalsContact O-CD 3.32Å; D294-P296 WeakPolarHBondContact O-CD 3.49Å
295C55.6Low61Low61 Ų61132.3 Ų132.341%0.41269%0.693SS.*  trans-68.6118.2175.3-89.50000110.5I290 I297I290-C295 HydrophobicContact CG2-CB 4.46Å; C295-I297 PolarHBondContact O-N 3.27Å; C295-I297 VanDerWaalsContact O-N 3.09Å
296P61.4Low58.7Low117 Ų117132.3 Ų132.376%0.7670%0.704SS**SBendtrans-71.1-3.5179.525-29.3000113.9D294 S298D294-P296 VanDerWaalsContact O-CD 3.32Å; D294-P296 WeakPolarHBondContact O-CD 3.49Å; P296-S298 PolarHBondContact O-N 3.03Å
297I52.2Low56.5Low144 Ų144137 Ų13774%0.73873%0.729SS**  trans-81.567.2171.3-46.8176.7000108.8C295C295-I297 PolarHBondContact O-N 3.27Å; C295-I297 VanDerWaalsContact O-N 3.09Å
298S46.1Very low54.5Low105 Ų105137 Ų13773%0.73473%0.729SS**  trans-112.538.2162.564.80000110.9P296P296-S298 PolarHBondContact O-N 3.03Å
299R44Very low52.5Low217 Ų217132.5 Ų132.582%0.81973%0.726SS**  trans-138.583.4156.1-74.7-169.4179.2168.3-0.6107.2D301R299-D301 PolarHBondContact O-N 3.47Å; R299-D301 VanDerWaalsContact O-N 3.07Å
300V46.7Very low50.5Low116 Ų116129.9 Ų129.970%0.70373%0.725SS**  trans-63.4104146.7179.10000103T302V300-T302 PolarHBondContact O-N 2.86Å
301D42.1Very low48.7Very low135 Ų135132.8 Ų132.872%0.72274%0.736SS**  trans-46.7120167.1-79.3-39.3000106.3R299 F303R299-D301 PolarHBondContact O-N 3.47Å; R299-D301 VanDerWaalsContact O-N 3.07Å; D301-F303 PolarHBondContact O-N 2.96Å
302T39.2Very low46.7Very low134 Ų134131.4 Ų131.482%0.82275%0.748SS**  trans-55.1108.1177-27.90000104.9V300 P304V300-T302 PolarHBondContact O-N 2.86Å; T302-P304 VanDerWaalsContact O-N 3.12Å
303F38.7Very low44.8Very low182 Ų182133.6 Ų133.680%0.79875%0.748SS**  trans-47.6126.1173.5-89.2-88.1000106.8D301 Q305D301-F303 PolarHBondContact O-N 2.96Å; F303-Q305 PolarHBondContact O-N 3.08Å
304P38.5Very low43Very low119 Ų119133 Ų13377%0.77375%0.754SS**  trans-53.2137.1176.7-20.430000108T302T302-P304 VanDerWaalsContact O-N 3.12Å
305Q41.6Very low41.2Very low180 Ų180136.6 Ų136.684%0.84177%0.772SS**  trans-42.5145.3178.5-79-169.7-22.100111.7F303 L307F303-Q305 PolarHBondContact O-N 3.08Å; Q305-L307 PolarHBondContact O-N 2.56Å; Q305-L307 VanDerWaalsContact O-N 3.13Å
306P41.3Very low40Very low125 Ų125141.6 Ų141.681%0.81279%0.794SS**  trans-56.8122.3-168.520.6-30.9000110.6A308P306-A308 PolarHBondContact O-N 3.01Å
307L38.1Very low38.6Very low175 Ų175140.1 Ų140.192%0.91679%0.791SS**  trans-47.4123.7163-83.9155.5000107.5Q305 A309Q305-L307 PolarHBondContact O-N 2.56Å; Q305-L307 VanDerWaalsContact O-N 3.13Å; L307-A309 PolarHBondContact O-N 2.72Å
308A39Very low37.8Very low94 Ų94138.9 Ų138.978%0.77779%0.792SS**  trans-45.9130179.600000110.1P306P306-A308 PolarHBondContact O-N 3.01Å
309A38.9Very low36.9Very low91 Ų91143.2 Ų143.275%0.75280%0.801SS**PPolyproline II helixtrans-51.2126.8179.100000109.6L307 Q311L307-A309 PolarHBondContact O-N 2.72Å; A309-Q311 PolarHBondContact O-N 2.7Å
310P35.6Very low36.4Very low125 Ų125141.1 Ų141.181%0.81280%0.803SS**PPolyproline II helixtrans-62.1131.5179.723.1-29.9000109.1C312P310-C312 PolarHBondContact O-N 3.37Å
311Q35.7Very low35.7Very low171 Ų171144.5 Ų144.580%0.79981%0.811SS**PPolyproline II helixtrans-54.8126.1174.9-71.5176-1500109A309 H313A309-Q311 PolarHBondContact O-N 2.7Å; Q311-H313 PolarHBondContact O-N 2.69Å
312C31Very low35Very low121 Ų121145.7 Ų145.782%0.81882%0.817SS**  trans-60.297.5175.7-163.90000108.5P310 T314P310-C312 PolarHBondContact O-N 3.37Å; C312-T314 PolarHBondContact O-N 3.29Å
313H33.6Very low34.8Very low164 Ų164146.9 Ų146.976%0.75982%0.819SS**  trans-73.4105.3163.9-83.9-67.2000107.1Q311 L315Q311-H313 PolarHBondContact O-N 2.69Å; H313-L315 PolarHBondContact O-N 3.47Å
314T33.4Very low34.3Very low126 Ų126146.7 Ų146.777%0.77382%0.82SS**  trans-47.1105.4163.9-44.20000108.3C312 L316C312-T314 PolarHBondContact O-N 3.29Å; T314-L316 PolarHBondContact O-N 3.21Å; T314-L316 VanDerWaalsContact O-N 3.07Å
315L32.7Very low34.1Very low166 Ų166150 Ų15087%0.86983%0.828SS**  trans-66.3109169-73.3171.8000106.7H313 A317H313-L315 PolarHBondContact O-N 3.47Å; L315-A317 PolarHBondContact O-N 3.19Å
316L29.8Very low33.4Very low167 Ų167146.6 Ų146.687%0.87482%0.823SS**PPolyproline II helixtrans-46.2128.5166.8-79.3152.4000109T314T314-L316 PolarHBondContact O-N 3.21Å; T314-L316 VanDerWaalsContact O-N 3.07Å
317A33.2Very low33.1Very low85 Ų85146.9 Ų146.970%0.70283%0.827SS**PPolyproline II helixtrans-56.8140.6171.600000109.7L315 E319L315-A317 PolarHBondContact O-N 3.19Å; A317-E319 PolarHBondContact O-N 3.1Å
318P34.5Very low32.8Very low118 Ų118143.7 Ų143.777%0.76682%0.819SS**PPolyproline II helixtrans-70.3119.1175.827.5-30000109.3M320P318-M320 PolarHBondContact O-N 3.46Å; P318-M320 VanDerWaalsContact O-N 3.12Å
319E27.5Very low32.8Very low196 Ų196148.7 Ų148.792%0.91684%0.844SS**  trans-60.3105.5155.7-69.7179.9147.900106.8A317A317-E319 PolarHBondContact O-N 3.1Å
320M33.4Very low32.5Very low173 Ų173151.6 Ų151.685%0.85285%0.848SS**  trans-106.8109.8166.5-121.8179.251.100106.5P318P318-M320 PolarHBondContact O-N 3.46Å; P318-M320 VanDerWaalsContact O-N 3.12Å
321E31.6Very low32.3Very low188 Ų188152.9 Ų152.988%0.87985%0.85SS**  trans-50.2129.9-178-69169.3136.900112N323E321-N323 PolarHBondContact O-N 3.43Å
322D28.1Very low32.1Very low159 Ų159151.9 Ų151.985%0.8585%0.853SS**  trans-51.8115.8159.9-72.5-49.9000109.1
323N33.7Very low32.2Very low160 Ų160153.8 Ų153.886%0.85686%0.855SS**  trans-121.792.8156.4-144.64.9000107.8E321 M325E321-N323 PolarHBondContact O-N 3.43Å; N323-M325 PolarHBondContact O-N 3.28Å
324E28.4Very low32.1Very low178 Ų178153.1 Ų153.183%0.83286%0.861SS**  trans-51.5121.4165.8-67.8-179.7139.100109.5
325M35.7Very low32Very low189 Ų189154.9 Ų154.993%0.93187%0.867SS**  trans-14086.2151.1-136.5168.2-164.900109.5N323N323-M325 PolarHBondContact O-N 3.28Å
326S27.2Very low31.9Very low107 Ų107154.1 Ų154.175%0.74887%0.867SS**  trans-60.1129.3159.757.80000110.1
327C34.2Very low32.1Very low132 Ų132153.2 Ų153.289%0.89287%0.867SS**  trans-157.4103.6146.1-108.70000109.4
328S31Very low32Very low107 Ų107158.8 Ų158.875%0.74888%0.88SS**  trans-62.3171.8163.4-45.50000111.3
329P38.8Very low31.8Very low199 Ų199162.5 Ų162.5100%1.29289%0.891SS**  -121079.636.1-30.2000114.4

Retrieved 329 of 329 residues in 1599.6 ms (Link to these results)

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