A0A087YDU5_POEFO Loading...

Pleckstrin homology domain containing A2

Binds specifically to phosphatidylinositol 3,4-diphosphate (PtdIns3,4P2), but not to other phosphoinositides. May recruit other proteins to the plasma membrane.

AlphaFold DB (A0A3B3V659), UniProt , Accession A0A087YDU5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 430 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
1M77.3Confident88.1Confident119 Ų11983.9 Ų83.959%0.58639%0.392SS*.  0134.10-57-176.375.300108.7V99 D100 D103M1-V99 HydrophobicContact CE-CB 4.06Å; M1-V99 HydrophobicContact CE-CG1 3.54Å; M1-D100 VanDerWaalsContact C-OD1 3.23Å; M1-D100 WeakPolarHBondContact CA-OD1 3.39Å; M1-D100 HydrophobicContact CG-CB 4.23Å; M1-D100 PolarHBondContact N-OD1 3.15Å; M1-D100 PolarHBondContact N-OD2 3.22Å; M1-D103 WeakPolarHBondContact CE-OD2 3.44Å
2P88.8Confident88.6Confident25 Ų2577.1 Ų77.116%0.16236%0.361CS..  trans-68.8152.2172.229.2-32.5000111.2V10 C11 D100 D103 W104P2-V10 HydrophobicContact CB-CG1 3.67Å; P2-V10 HydrophobicContact CG-CG1 4.38Å; P2-C11 CarbonylContact C-O 3.6Å; P2-C11 VanDerWaalsContact CA-O 3.32Å; P2-C11 WeakPolarHBondContact CA-O 3.5Å; P2-D100 VanDerWaalsContact CD-OD1 3.26Å; P2-D100 WeakPolarHBondContact CD-OD1 3.48Å; P2-D103 HydrophobicContact CG-CB 3.47Å; P2-D103 VanDerWaalsContact CG-CB 3.47Å; P2-W104 HydrophobicContact CB-CD2 4.13Å; P2-W104 HydrophobicContact CB-CG 4.39Å; P2-W104 HydrophobicContact CB-CZ2 4.04Å; P2-W104 HydrophobicContact CG-CD2 4.39Å; P2-W104 HydrophobicContact CG-CG 4.17Å
3Y90.7Very high89.1Confident114 Ų11476.2 Ų76.245%0.44736%0.355SS..EExtended strand (participates in β ladder)trans-136.1169.3177.364-87.7000111.1V10 C11 Y29Y3-V10 CarbonylContact O-C 3.58Å; Y3-V10 WeakPolarHBondContact O-CA 3.26Å; Y3-C11 WeakPolarHBondContact CE2-SG 3.29Å; Y3-C11 PolarHBondContact N-O 3.5Å; Y3-C11 PolarHBondContact O-N 3.32Å; Y3-C11 PolarHBondContact O-SG 2.66Å; Y3-Y29 PolarHBondContact OH-OH 2.92Å
4L90.2Very high89.5Confident102 Ų10270.8 Ų70.853%0.53433%0.33SS..EExtended strand (participates in β ladder)trans-92.2129.1178.9-65.6166.3000110.4R9 V10L4-R9 WeakPolarHBondContact CA-O 3.45Å; L4-V10 HydrophobicContact CD2-CG2 3.8Å
5D87.2Confident89.8Confident25 Ų2568.3 Ų68.313%0.13432%0.321CS..  trans-75.9177.5171.378.8-2.6000112L7 N8 R9D5-L7 PolarHBondContact O-N 3.42Å; D5-L7 VanDerWaalsContact OD1-C 3.25Å; D5-L7 VanDerWaalsContact OD1-CA 3.28Å; D5-L7 WeakPolarHBondContact OD1-CA 3.39Å; D5-L7 WeakPolarHBondContact OD1-CB 3.18Å; D5-L7 PolarHBondContact OD1-N 3.11Å; D5-N8 PolarHBondContact O-N 2.84Å; D5-N8 PolarHBondContact OD1-N 3.15Å; D5-N8 VanDerWaalsContact OD1-N 3.14Å; D5-R9 PolarHBondContact N-O 3.34Å; D5-R9 WeakPolarHBondContact OD1-CB 3.29Å; D5-R9 PolarHBondContact OD1-N 3.39Å; D5-R9 IonicContact OD1-NE 3.69Å; D5-R9 IonicContact OD2-CZ 2.93Å; D5-R9 VanDerWaalsContact OD2-CZ 3.28Å; D5-R9 IonicContact OD2-NE 2.94Å; D5-R9 PolarHBondContact OD2-NE 3.49Å; D5-R9 IonicContact OD2-NH2 2.7Å; D5-R9 PolarHBondContact OD2-NH2 2.88Å
6R83.8Confident89.9Confident229 Ų22964.1 Ų64.186%0.86430%0.301SS*.THydrogen-bonded Turntrans-62.3-12.1177.6-62.1-177.1-175.61701.9114.2
7L83.9Confident89.8Confident112 Ų11260.6 Ų60.659%0.58629%0.285SS*.THydrogen-bonded Turntrans-104.112.9176.6-57.5177.6000111.4D5 R9D5-L7 PolarHBondContact O-N 3.42Å; D5-L7 VanDerWaalsContact OD1-C 3.25Å; D5-L7 VanDerWaalsContact OD1-CA 3.28Å; D5-L7 WeakPolarHBondContact OD1-CA 3.39Å; D5-L7 WeakPolarHBondContact OD1-CB 3.18Å; D5-L7 PolarHBondContact OD1-N 3.11Å; L7-R9 VanDerWaalsContact C-N 3.25Å; L7-R9 HydrophobicContact CB-CG 4.23Å; L7-R9 PolarHBondContact O-N 2.98Å
8N86.9Confident89.1Confident119 Ų11961.1 Ų61.164%0.63629%0.286SS*.SBendtrans60.629.9-179.3-158.337.5000113.7D5D5-N8 PolarHBondContact O-N 2.84Å; D5-N8 PolarHBondContact OD1-N 3.15Å; D5-N8 VanDerWaalsContact OD1-N 3.14Å
9R91.3Very high88.3Confident47 Ų4766.1 Ų66.118%0.17731%0.307CS..  trans-98.1141.5176.2-56.5179.1-59.7176.45.5110.1L4 D5 L7 C11 I31 D33L4-R9 WeakPolarHBondContact CA-O 3.45Å; D5-R9 PolarHBondContact N-O 3.34Å; D5-R9 WeakPolarHBondContact OD1-CB 3.29Å; D5-R9 PolarHBondContact OD1-N 3.39Å; D5-R9 IonicContact OD1-NE 3.69Å; D5-R9 IonicContact OD2-CZ 2.93Å; D5-R9 VanDerWaalsContact OD2-CZ 3.28Å; D5-R9 IonicContact OD2-NE 2.94Å; D5-R9 PolarHBondContact OD2-NE 3.49Å; D5-R9 IonicContact OD2-NH2 2.7Å; D5-R9 PolarHBondContact OD2-NH2 2.88Å; L7-R9 VanDerWaalsContact C-N 3.25Å; L7-R9 HydrophobicContact CB-CG 4.23Å; L7-R9 PolarHBondContact O-N 2.98Å; R9-C11 PolarHBondContact O-N 2.99Å; R9-I31 HydrophobicContact CB-CG2 4.19Å; R9-D33 VanDerWaalsContact CD-OD2 3.3Å; R9-D33 WeakPolarHBondContact CD-OD2 3.28Å; R9-D33 IonicContact NH1-OD2 3.58Å; R9-D33 PolarHBondContact NH1-OD2 2.88Å
10V93.8Very high87.3Confident31 Ų3167.9 Ų67.919%0.18832%0.315CS..EExtended strand (participates in β ladder)trans-75.1126.7178.9-178.70000108.8P2 Y3 L4 L32 W104 A107P2-V10 HydrophobicContact CB-CG1 3.67Å; P2-V10 HydrophobicContact CG-CG1 4.38Å; Y3-V10 CarbonylContact O-C 3.58Å; Y3-V10 WeakPolarHBondContact O-CA 3.26Å; L4-V10 HydrophobicContact CD2-CG2 3.8Å; V10-L32 HydrophobicContact CB-CB 4.15Å; V10-L32 HydrophobicContact CB-CD2 4.28Å; V10-L32 PolarHBondContact N-O 2.88Å; V10-L32 WeakPolarHBondContact O-CB 3.07Å; V10-L32 PolarHBondContact O-N 2.7Å; V10-W104 HydrophobicContact CG1-CZ3 4.46Å; V10-A107 HydrophobicContact CG1-CB 4.05Å; V10-A107 HydrophobicContact CG2-CB 4.39Å
11C94.9Very high86.4Confident0 Ų071.3 Ų71.30%034%0.336CS..EExtended strand (participates in β ladder)trans-147.2161.5-173.464.50000112.5P2 Y3 R9 Y29 F30 I31P2-C11 CarbonylContact C-O 3.6Å; P2-C11 VanDerWaalsContact CA-O 3.32Å; P2-C11 WeakPolarHBondContact CA-O 3.5Å; Y3-C11 WeakPolarHBondContact CE2-SG 3.29Å; Y3-C11 PolarHBondContact N-O 3.5Å; Y3-C11 PolarHBondContact O-N 3.32Å; Y3-C11 PolarHBondContact O-SG 2.66Å; R9-C11 PolarHBondContact O-N 2.99Å; C11-Y29 HydrophobicContact CB-CE1 4.08Å; C11-Y29 PolarHBondContact SG-OH 3.26Å; C11-F30 CarbonylContact C-O 3.57Å; C11-F30 WeakPolarHBondContact CA-O 3.41Å; C11-F30 VanDerWaalsContact CB-O 3.32Å; C11-F30 WeakPolarHBondContact CB-O 3.21Å; C11-I31 HydrophobicContact CB-CG1 4.17Å
12G94.1Very high86.3Confident2 Ų267.6 Ų67.62%0.02132%0.322CS..EExtended strand (participates in β ladder)trans156.3176-179.300000113.1F30G12-F30 PolarHBondContact N-O 2.82Å; G12-F30 PolarHBondContact O-N 3.16Å
13F95.1Very high85.6Confident65 Ų6570.6 Ų70.629%0.28534%0.343SS..EExtended strand (participates in β ladder)trans-87.3134.8178-70-82.8000112.1R27 R28 Y29 D44 N96F13-R27 HydrophobicContact CB-CG 4.49Å; F13-R27 HydrophobicContact CD1-CG 3.98Å; F13-R28 WeakPolarHBondContact CA-O 3.42Å; F13-Y29 HydrophobicContact CD1-CD2 4.21Å; F13-Y29 HydrophobicContact CD2-CD2 4.02Å; F13-Y29 AromaticContact CE1-CD2 3.96Å; F13-Y29 HydrophobicContact CE1-CD2 3.96Å; F13-Y29 HydrophobicContact CE1-CG 4.42Å; F13-Y29 AromaticContact CE2-CD2 3.75Å; F13-Y29 HydrophobicContact CE2-CD2 3.75Å; F13-Y29 HydrophobicContact CE2-CE2 4.28Å; F13-Y29 HydrophobicContact CG-CD2 4.25Å; F13-Y29 AromaticContact CZ-CD2 3.73Å; F13-Y29 HydrophobicContact CZ-CD2 3.73Å; F13-D44 WeakPolarHBondContact CZ-OD1 3.44Å; F13-N96 PolarHBondContact O-ND2 3.44Å
14L95.4Very high85.1Confident1 Ų174.9 Ų74.91%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-134.7153.6165.4-68172.6000108.8R28 F30 F82 L93 A95 W104L14-R28 PolarHBondContact N-O 2.74Å; L14-R28 PolarHBondContact O-N 2.8Å; L14-R28 VanDerWaalsContact O-O 3.08Å; L14-F30 HydrophobicContact CB-CD2 3.69Å; L14-F30 HydrophobicContact CB-CE2 3.67Å; L14-F30 HydrophobicContact CD1-CD2 4.18Å; L14-F30 HydrophobicContact CD1-CE2 4.49Å; L14-F30 HydrophobicContact CD1-CG 4.38Å; L14-F30 HydrophobicContact CG-CD2 4.25Å; L14-F82 HydrophobicContact CD1-CE1 4.02Å; L14-F82 HydrophobicContact CD1-CZ 3.68Å; L14-F82 HydrophobicContact CD2-CE1 4.09Å; L14-L93 HydrophobicContact CB-CD2 4.34Å; L14-L93 HydrophobicContact CD1-CB 4.42Å; L14-L93 HydrophobicContact CD1-CD2 3.67Å; L14-A95 HydrophobicContact CD2-CB 3.85Å; L14-W104 HydrophobicContact CD1-CD2 3.68Å; L14-W104 HydrophobicContact CD1-CE3 4.16Å; L14-W104 HydrophobicContact CD1-CG 3.91Å; L14-W104 HydrophobicContact CD1-CZ2 4.19Å; L14-W104 HydrophobicContact CD2-CG 4.14Å; L14-W104 HydrophobicContact CG-CD2 4.27Å; L14-W104 HydrophobicContact CG-CG 4.35Å; L14-W104 HydrophobicContact CG-CZ2 4.31Å
15D93.4Very high85Confident34 Ų3472 Ų7218%0.18234%0.341CS..EExtended strand (participates in β ladder)trans-97.3125.8173.3-51.6-38.3000108.1F25 Q26 R27 L93 Q94D15-F25 HydrophobicContact CB-CB 3.89Å; D15-F25 WeakPolarHBondContact O-CD1 3.49Å; D15-Q26 WeakPolarHBondContact CA-O 3.45Å; D15-R27 WeakPolarHBondContact OD1-CA 3.34Å; D15-R27 WeakPolarHBondContact OD1-CB 3.44Å; D15-R27 WeakPolarHBondContact OD1-CG 3.34Å; D15-R27 IonicContact OD1-CZ 3.66Å; D15-R27 IonicContact OD1-NH1 3.55Å; D15-R27 PolarHBondContact OD1-NH1 3.38Å; D15-R27 IonicContact OD2-NH1 3.2Å; D15-R27 PolarHBondContact OD2-NH1 3.49Å; D15-L93 CarbonylContact O-C 3.57Å; D15-L93 WeakPolarHBondContact O-CA 3.43Å; D15-Q94 HydrophobicContact CB-CB 4.37Å; D15-Q94 PolarHBondContact N-O 3.45Å; D15-Q94 PolarHBondContact O-N 2.98Å
16I92.3Very high85.1Confident1 Ų175.6 Ų75.61%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-119.5136.1-171.9178.3166000112.2E18 F25 Q26 R28 F30 W41 Y91 L93I16-E18 HydrophobicContact CG2-CG 4.18Å; I16-E18 PolarHBondContact O-N 2.78Å; I16-E18 VanDerWaalsContact O-N 3.12Å; I16-F25 WeakPolarHBondContact O-CA 3.21Å; I16-Q26 WeakPolarHBondContact CG2-O 3.19Å; I16-Q26 PolarHBondContact N-O 2.73Å; I16-Q26 PolarHBondContact O-N 3.5Å; I16-R28 HydrophobicContact CG2-CB 4.17Å; I16-R28 HydrophobicContact CG2-CG 3.55Å; I16-F30 HydrophobicContact CB-CE2 4.37Å; I16-F30 HydrophobicContact CB-CZ 3.93Å; I16-F30 HydrophobicContact CD1-CE1 4.29Å; I16-F30 HydrophobicContact CD1-CZ 3.78Å; I16-F30 HydrophobicContact CG1-CZ 4.44Å; I16-F30 HydrophobicContact CG2-CE2 4.23Å; I16-F30 HydrophobicContact CG2-CZ 3.94Å; I16-W41 HydrophobicContact CD1-CZ2 4.25Å; I16-Y91 HydrophobicContact CD1-CD1 4.13Å; I16-L93 HydrophobicContact CB-CD2 4.5Å; I16-L93 HydrophobicContact CB-CG 4.38Å; I16-L93 HydrophobicContact CD1-CD2 4.36Å; I16-L93 HydrophobicContact CD1-CG 4.4Å; I16-L93 HydrophobicContact CG1-CG 4.31Å
17E88.4Confident85.6Confident5 Ų569.6 Ų69.62%0.02333%0.334CS..  trans-78.689.1170.1-174.1174.9-153.800109.9K19 N21 S22 C23 F25 K75 F92E17-K19 VanDerWaalsContact C-N 3.32Å; E17-K19 VanDerWaalsContact CG-O 3.26Å; E17-K19 WeakPolarHBondContact CG-O 3.48Å; E17-K19 PolarHBondContact O-N 3.33Å; E17-N21 PolarHBondContact OE1-N 3.24Å; E17-S22 PolarHBondContact OE1-N 3.32Å; E17-S22 VanDerWaalsContact OE1-N 3.14Å; E17-C23 WeakPolarHBondContact OE1-CA 3.45Å; E17-C23 PolarHBondContact OE1-N 2.78Å; E17-F25 HydrophobicContact CB-CD1 4.17Å; E17-F25 HydrophobicContact CB-CE1 3.96Å; E17-F25 HydrophobicContact CB-CZ 4.18Å; E17-K75 IonicContact OE1-NZ 2.97Å; E17-K75 PolarHBondContact OE1-NZ 2.91Å; E17-K75 WeakPolarHBondContact OE2-CE 3.48Å; E17-K75 IonicContact OE2-NZ 3.34Å; E17-K75 PolarHBondContact OE2-NZ 2.92Å; E17-F92 HydrophobicContact CB-CB 4.25Å; E17-F92 PolarHBondContact N-O 3.28Å; E17-F92 WeakPolarHBondContact OE2-CD2 3.3Å
18E77.1Confident86.1Confident68 Ų6865.2 Ų65.232%0.31831%0.31SS..  trans-64.6-35.1-177-69.3-173.8169.200112.8I16 R28 R89I16-E18 HydrophobicContact CG2-CG 4.18Å; I16-E18 PolarHBondContact O-N 2.78Å; I16-E18 VanDerWaalsContact O-N 3.12Å; E18-R28 IonicContact OE1-CZ 3.3Å; E18-R28 IonicContact OE1-NE 3.19Å; E18-R28 PolarHBondContact OE1-NE 2.8Å; E18-R28 IonicContact OE1-NH2 2.78Å; E18-R28 PolarHBondContact OE1-NH2 3.29Å; E18-R28 IonicContact OE2-NH2 3.06Å; E18-R89 PolarHBondContact O-NH1 2.79Å; E18-R89 PolarHBondContact O-NH2 2.7Å
19K73.4Confident86.4Confident156 Ų15659.8 Ų59.868%0.67828%0.281SS*.SBendtrans-110.3120178-177.5-176.9178.1-171.60110.2E17 S22E17-K19 VanDerWaalsContact C-N 3.32Å; E17-K19 VanDerWaalsContact CG-O 3.26Å; E17-K19 WeakPolarHBondContact CG-O 3.48Å; E17-K19 PolarHBondContact O-N 3.33Å; K19-S22 WeakPolarHBondContact O-CB 3.48Å; K19-S22 PolarHBondContact O-N 2.87Å; K19-S22 VanDerWaalsContact O-N 3.13Å; K19-S22 PolarHBondContact O-OG 2.97Å
20E69.1Low86.6Confident102 Ų10257.6 Ų57.648%0.47727%0.273SS..THydrogen-bonded Turntrans-54.7139.5179.4-148.8171.5-178.500111.6S22E20-S22 PolarHBondContact O-N 2.91Å
21N68Low86.7Confident141 Ų14156.5 Ų56.575%0.75427%0.266SS*.THydrogen-bonded Turntrans57.711.7-176.1-58.480.1000115.9E17 C23E17-N21 PolarHBondContact OE1-N 3.24Å; N21-C23 VanDerWaalsContact C-N 3.32Å
22S75.4Confident86.7Confident41 Ų4156.5 Ų56.529%0.28727%0.266SS..  trans-76.1-22.3177.868.60000113.4E17 K19 E20 R24E17-S22 PolarHBondContact OE1-N 3.32Å; E17-S22 VanDerWaalsContact OE1-N 3.14Å; K19-S22 WeakPolarHBondContact O-CB 3.48Å; K19-S22 PolarHBondContact O-N 2.87Å; K19-S22 VanDerWaalsContact O-N 3.13Å; K19-S22 PolarHBondContact O-OG 2.97Å; E20-S22 PolarHBondContact O-N 2.91Å; S22-R24 PolarHBondContact O-N 2.95Å; S22-R24 PolarHBondContact OG-N 3.42Å
23C72.8Confident86.5Confident88 Ų8857.7 Ų57.760%0.59527%0.271SS*.  trans52.119.9-170.7-65.20000113.9E17 N21E17-C23 WeakPolarHBondContact OE1-CA 3.45Å; E17-C23 PolarHBondContact OE1-N 2.78Å; N21-C23 VanDerWaalsContact C-N 3.32Å
24R81.4Confident86.2Confident203 Ų20358.4 Ų58.477%0.76628%0.281SS*.  trans-109.3115.9173.4-61.9-149.6-59.7-178.31.8108.9S22S22-R24 PolarHBondContact O-N 2.95Å; S22-R24 PolarHBondContact OG-N 3.42Å
25F88.3Confident85.8Confident43 Ų4366.3 Ų66.319%0.18932%0.318CS..  trans-93.2141.3175.5-67.2-101.8000109D15 I16 E17 T78 F92 Q94D15-F25 HydrophobicContact CB-CB 3.89Å; D15-F25 WeakPolarHBondContact O-CD1 3.49Å; I16-F25 WeakPolarHBondContact O-CA 3.21Å; E17-F25 HydrophobicContact CB-CD1 4.17Å; E17-F25 HydrophobicContact CB-CE1 3.96Å; E17-F25 HydrophobicContact CB-CZ 4.18Å; F25-T78 HydrophobicContact CD2-CG2 4.33Å; F25-T78 HydrophobicContact CE2-CG2 3.62Å; F25-T78 HydrophobicContact CZ-CG2 4.01Å; F25-F92 HydrophobicContact CE1-CB 4.08Å; F25-F92 HydrophobicContact CZ-CB 4.24Å; F25-Q94 HydrophobicContact CD1-CB 4.1Å; F25-Q94 HydrophobicContact CE1-CB 4.26Å
26Q88.4Confident85.3Confident99 Ų9966.8 Ų66.846%0.46333%0.332SS..EExtended strand (participates in β ladder)trans-121.1125.5179.4-170.463.462.500108.9D15 I16 R28D15-Q26 WeakPolarHBondContact CA-O 3.45Å; I16-Q26 WeakPolarHBondContact CG2-O 3.19Å; I16-Q26 PolarHBondContact N-O 2.73Å; I16-Q26 PolarHBondContact O-N 3.5Å; Q26-R28 VanDerWaalsContact CG-CZ 3.41Å; Q26-R28 PolarHBondContact O-N 2.78Å
27R93.5Very high85.2Confident103 Ų10369.4 Ų69.439%0.38935%0.345SS..EExtended strand (participates in β ladder)trans-63.2129.4176.8-165159.6-164.992.4-12.3110.8F13 D15 N96F13-R27 HydrophobicContact CB-CG 4.49Å; F13-R27 HydrophobicContact CD1-CG 3.98Å; D15-R27 WeakPolarHBondContact OD1-CA 3.34Å; D15-R27 WeakPolarHBondContact OD1-CB 3.44Å; D15-R27 WeakPolarHBondContact OD1-CG 3.34Å; D15-R27 IonicContact OD1-CZ 3.66Å; D15-R27 IonicContact OD1-NH1 3.55Å; D15-R27 PolarHBondContact OD1-NH1 3.38Å; D15-R27 IonicContact OD2-NH1 3.2Å; D15-R27 PolarHBondContact OD2-NH1 3.49Å; R27-N96 PolarHBondContact NH1-OD1 2.77Å; R27-N96 PolarHBondContact NH2-OD1 3.34Å
28R94.6Very high85.4Confident20 Ų2070 Ų708%0.07535%0.349CS..EExtended strand (participates in β ladder)trans-141.1149.9179.2-62.6-65.4-179.1-136.39.7110.4F13 L14 I16 E18 Q26 F30 W41 Y42 M43F13-R28 WeakPolarHBondContact CA-O 3.42Å; L14-R28 PolarHBondContact N-O 2.74Å; L14-R28 PolarHBondContact O-N 2.8Å; L14-R28 VanDerWaalsContact O-O 3.08Å; I16-R28 HydrophobicContact CG2-CB 4.17Å; I16-R28 HydrophobicContact CG2-CG 3.55Å; E18-R28 IonicContact OE1-CZ 3.3Å; E18-R28 IonicContact OE1-NE 3.19Å; E18-R28 PolarHBondContact OE1-NE 2.8Å; E18-R28 IonicContact OE1-NH2 2.78Å; E18-R28 PolarHBondContact OE1-NH2 3.29Å; E18-R28 IonicContact OE2-NH2 3.06Å; Q26-R28 VanDerWaalsContact CG-CZ 3.41Å; Q26-R28 PolarHBondContact O-N 2.78Å; R28-F30 HydrophobicContact CB-CD2 4.21Å; R28-F30 HydrophobicContact CB-CE2 3.69Å; R28-F30 HydrophobicContact CB-CZ 4.36Å; R28-W41 HydrophobicContact CB-CB 4.12Å; R28-W41 HydrophobicContact CB-CG 4.35Å; R28-Y42 WeakPolarHBondContact CA-O 3.29Å; R28-Y42 WeakPolarHBondContact CB-O 3.38Å; R28-Y42 VanDerWaalsContact CD-O 3.28Å; R28-Y42 WeakPolarHBondContact CD-O 3.5Å; R28-M43 PolarHBondContact NH1-SD 3.19Å
29Y93.8Very high86.2Confident5 Ų566.9 Ų66.92%0.0234%0.335CS..EExtended strand (participates in β ladder)trans-92.3113.1172.9-173-91.9000109.8Y3 C11 F13 I31 W41 Y42 D44 N45Y3-Y29 PolarHBondContact OH-OH 2.92Å; C11-Y29 HydrophobicContact CB-CE1 4.08Å; C11-Y29 PolarHBondContact SG-OH 3.26Å; F13-Y29 HydrophobicContact CD1-CD2 4.21Å; F13-Y29 HydrophobicContact CD2-CD2 4.02Å; F13-Y29 AromaticContact CE1-CD2 3.96Å; F13-Y29 HydrophobicContact CE1-CD2 3.96Å; F13-Y29 HydrophobicContact CE1-CG 4.42Å; F13-Y29 AromaticContact CE2-CD2 3.75Å; F13-Y29 HydrophobicContact CE2-CD2 3.75Å; F13-Y29 HydrophobicContact CE2-CE2 4.28Å; F13-Y29 HydrophobicContact CG-CD2 4.25Å; F13-Y29 AromaticContact CZ-CD2 3.73Å; F13-Y29 HydrophobicContact CZ-CD2 3.73Å; Y29-I31 HydrophobicContact CD1-CD1 4.31Å; Y29-I31 HydrophobicContact CD1-CG1 3.94Å; Y29-I31 HydrophobicContact CE1-CD1 3.94Å; Y29-I31 HydrophobicContact CE1-CG1 3.64Å; Y29-W41 CarbonylContact O-C 3.54Å; Y29-W41 WeakPolarHBondContact O-CA 3.23Å; Y29-Y42 PolarHBondContact N-O 2.78Å; Y29-Y42 PolarHBondContact O-N 3.06Å; Y29-D44 VanDerWaalsContact CB-C 3.41Å; Y29-D44 WeakPolarHBondContact CB-O 3.48Å; Y29-N45 HydrophobicContact CD1-CB 4.41Å; Y29-N45 HydrophobicContact CD2-CB 3.91Å; Y29-N45 HydrophobicContact CE1-CB 4.38Å; Y29-N45 HydrophobicContact CE2-CB 3.88Å; Y29-N45 HydrophobicContact CG-CB 4.16Å
30F96Very high87.2Confident1 Ų161.1 Ų61.10%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-91.6145.7-179.4-75.1-99.8000111.7C11 G12 L14 I16 R28 L39 Q40 W41 L93 W104C11-F30 CarbonylContact C-O 3.57Å; C11-F30 WeakPolarHBondContact CA-O 3.41Å; C11-F30 VanDerWaalsContact CB-O 3.32Å; C11-F30 WeakPolarHBondContact CB-O 3.21Å; G12-F30 PolarHBondContact N-O 2.82Å; G12-F30 PolarHBondContact O-N 3.16Å; L14-F30 HydrophobicContact CB-CD2 3.69Å; L14-F30 HydrophobicContact CB-CE2 3.67Å; L14-F30 HydrophobicContact CD1-CD2 4.18Å; L14-F30 HydrophobicContact CD1-CE2 4.49Å; L14-F30 HydrophobicContact CD1-CG 4.38Å; L14-F30 HydrophobicContact CG-CD2 4.25Å; I16-F30 HydrophobicContact CB-CE2 4.37Å; I16-F30 HydrophobicContact CB-CZ 3.93Å; I16-F30 HydrophobicContact CD1-CE1 4.29Å; I16-F30 HydrophobicContact CD1-CZ 3.78Å; I16-F30 HydrophobicContact CG1-CZ 4.44Å; I16-F30 HydrophobicContact CG2-CE2 4.23Å; I16-F30 HydrophobicContact CG2-CZ 3.94Å; R28-F30 HydrophobicContact CB-CD2 4.21Å; R28-F30 HydrophobicContact CB-CE2 3.69Å; R28-F30 HydrophobicContact CB-CZ 4.36Å; F30-L39 HydrophobicContact CB-CD1 4.39Å; F30-L39 HydrophobicContact CD1-CD1 3.93Å; F30-L39 HydrophobicContact CD1-CD2 4.11Å; F30-L39 HydrophobicContact CD1-CG 3.99Å; F30-L39 HydrophobicContact CE1-CD2 4.34Å; F30-Q40 CarbonylContact C-O 3.6Å; F30-Q40 WeakPolarHBondContact CA-O 3.42Å; F30-W41 HydrophobicContact CD1-CB 3.62Å; F30-W41 HydrophobicContact CD1-CD2 4.41Å; F30-W41 HydrophobicContact CD1-CE3 4.13Å; F30-W41 HydrophobicContact CD1-CG 4.27Å; F30-W41 HydrophobicContact CD2-CB 4.05Å; F30-W41 HydrophobicContact CE1-CB 3.61Å; F30-W41 AromaticContact CE1-CD2 3.7Å; F30-W41 HydrophobicContact CE1-CD2 3.7Å; F30-W41 AromaticContact CE1-CE3 3.55Å; F30-W41 HydrophobicContact CE1-CE3 3.55Å; F30-W41 AromaticContact CE1-CG 3.76Å; F30-W41 HydrophobicContact CE1-CG 3.76Å; F30-W41 HydrophobicContact CE1-CZ3 4.43Å; F30-W41 HydrophobicContact CE2-CB 4.05Å; F30-W41 HydrophobicContact CE2-CG 4.45Å; F30-W41 HydrophobicContact CG-CB 3.84Å; F30-W41 HydrophobicContact CZ-CB 3.81Å; F30-W41 HydrophobicContact CZ-CD2 4.07Å; F30-W41 HydrophobicContact CZ-CE3 4.36Å; F30-W41 AromaticContact CZ-CG 3.85Å; F30-W41 HydrophobicContact CZ-CG 3.85Å; F30-L93 HydrophobicContact CD1-CD2 4.44Å; F30-L93 HydrophobicContact CE1-CD2 3.71Å; F30-L93 HydrophobicContact CE2-CD2 4.08Å; F30-L93 HydrophobicContact CZ-CD2 3.51Å; F30-W104 HydrophobicContact CB-CH2 3.47Å; F30-W104 VanDerWaalsContact CB-CH2 3.47Å; F30-W104 HydrophobicContact CB-CZ2 3.94Å; F30-W104 HydrophobicContact CB-CZ3 4.22Å
31I94.5Very high88.4Confident8 Ų856.6 Ų56.64%0.04129%0.289CS..EExtended strand (participates in β ladder)trans-132.6115.3171-57.9-178.4000107.6R9 C11 Y29 Q40 Y42 P46R9-I31 HydrophobicContact CB-CG2 4.19Å; C11-I31 HydrophobicContact CB-CG1 4.17Å; Y29-I31 HydrophobicContact CD1-CD1 4.31Å; Y29-I31 HydrophobicContact CD1-CG1 3.94Å; Y29-I31 HydrophobicContact CE1-CD1 3.94Å; Y29-I31 HydrophobicContact CE1-CG1 3.64Å; I31-Q40 PolarHBondContact N-O 2.64Å; I31-Q40 PolarHBondContact O-N 3.24Å; I31-Y42 HydrophobicContact CD1-CD2 4.28Å; I31-Y42 HydrophobicContact CD1-CE2 3.92Å; I31-Y42 HydrophobicContact CG1-CE2 4.45Å; I31-P46 HydrophobicContact CD1-CG 3.92Å
32L94.6Very high89.5Confident1 Ų151.4 Ų51.41%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-92.699.7173.6173.557.1000109V10 T34 L39 L61 W104 A107 L108 A111V10-L32 HydrophobicContact CB-CB 4.15Å; V10-L32 HydrophobicContact CB-CD2 4.28Å; V10-L32 PolarHBondContact N-O 2.88Å; V10-L32 WeakPolarHBondContact O-CB 3.07Å; V10-L32 PolarHBondContact O-N 2.7Å; L32-T34 HydrophobicContact CG-CG2 4.4Å; L32-L39 HydrophobicContact CB-CD1 3.9Å; L32-L39 HydrophobicContact CD1-CB 4.42Å; L32-L39 HydrophobicContact CD1-CD1 4.31Å; L32-L61 HydrophobicContact CD1-CD1 3.77Å; L32-L61 HydrophobicContact CD1-CD2 3.43Å; L32-L61 VanDerWaalsContact CD1-CD2 3.43Å; L32-L61 HydrophobicContact CD1-CG 4.22Å; L32-W104 HydrophobicContact CB-CZ3 4.3Å; L32-A107 HydrophobicContact CD2-CB 4.01Å; L32-L108 HydrophobicContact CD1-CD2 4Å; L32-L108 HydrophobicContact CD2-CD2 3.98Å; L32-L108 HydrophobicContact CD2-CG 4.37Å; L32-A111 HydrophobicContact CD1-CB 3.97Å; L32-A111 HydrophobicContact CD2-CB 4.02Å; L32-A111 HydrophobicContact CG-CB 4.32Å
33D91.6Very high90Very high26 Ų2654.6 Ų54.614%0.13927%0.271CS..EExtended strand (participates in β ladder)trans-94.2100.8175.9-161.9-33.5000109.9R9 Q35 G36 N37 V38R9-D33 VanDerWaalsContact CD-OD2 3.3Å; R9-D33 WeakPolarHBondContact CD-OD2 3.28Å; R9-D33 IonicContact NH1-OD2 3.58Å; R9-D33 PolarHBondContact NH1-OD2 2.88Å; D33-Q35 VanDerWaalsContact C-N 3.32Å; D33-Q35 PolarHBondContact OD1-N 2.88Å; D33-Q35 VanDerWaalsContact OD1-N 3.1Å; D33-G36 PolarHBondContact OD1-N 3.11Å; D33-N37 PolarHBondContact O-N 2.87Å; D33-N37 VanDerWaalsContact O-N 3.15Å; D33-V38 WeakPolarHBondContact CA-O 2.97Å; D33-V38 HydrophobicContact CB-CG1 4.09Å; D33-V38 WeakPolarHBondContact CB-O 3.42Å; D33-V38 PolarHBondContact N-O 2.84Å; D33-V38 PolarHBondContact O-N 2.79Å
34T88.6Confident90.9Very high80 Ų8053.2 Ų53.249%0.49126%0.257SS..THydrogen-bonded Turntrans-71.8-27.4179570000112.6L32 A111L32-T34 HydrophobicContact CG-CG2 4.4Å; T34-A111 HydrophobicContact CG2-CB 3.76Å
35Q86.5Confident91.2Very high167 Ų16744.5 Ų44.578%0.7823%0.226SC*.THydrogen-bonded Turntrans-78.8-44.1179-59.2-178.750.100110.5D33 N37D33-Q35 VanDerWaalsContact C-N 3.32Å; D33-Q35 PolarHBondContact OD1-N 2.88Å; D33-Q35 VanDerWaalsContact OD1-N 3.1Å; Q35-N37 PolarHBondContact O-N 2.83Å
36G84Confident91Very high45 Ų4544.6 Ų44.646%0.46423%0.231SC..THydrogen-bonded Turntrans-74.1-0.8173.100000114.8D33 V38D33-G36 PolarHBondContact OD1-N 3.11Å; G36-V38 PolarHBondContact O-N 2.8Å
37N89.6Confident90.7Very high55 Ų5546 Ų4629%0.29424%0.238SC..THydrogen-bonded Turntrans51.242.4-176.417826.4000112.2D33 Q35 R60 L61 T62D33-N37 PolarHBondContact O-N 2.87Å; D33-N37 VanDerWaalsContact O-N 3.15Å; Q35-N37 PolarHBondContact O-N 2.83Å; N37-R60 CarbonylContact O-C 3.59Å; N37-R60 WeakPolarHBondContact O-CA 3.27Å; N37-R60 WeakPolarHBondContact O-CB 3.3Å; N37-L61 PolarHBondContact O-N 3.13Å; N37-L61 VanDerWaalsContact OD1-CB 3.31Å; N37-L61 WeakPolarHBondContact OD1-CB 3.36Å; N37-L61 PolarHBondContact OD1-N 3.23Å; N37-T62 VanDerWaalsContact ND2-CG2 3.31Å; N37-T62 WeakPolarHBondContact ND2-CG2 3.14Å; N37-T62 PolarHBondContact ND2-OG1 3.4Å; N37-T62 PolarHBondContact OD1-N 3.33Å; N37-T62 VanDerWaalsContact OD1-N 3.11Å
38V91.7Very high90.2Very high17 Ų1746.5 Ų46.510%0.10325%0.248CC..EExtended strand (participates in β ladder)trans-149.5131.6-173.165.40000113.8D33 G36 Q40D33-V38 WeakPolarHBondContact CA-O 2.97Å; D33-V38 HydrophobicContact CB-CG1 4.09Å; D33-V38 WeakPolarHBondContact CB-O 3.42Å; D33-V38 PolarHBondContact N-O 2.84Å; D33-V38 PolarHBondContact O-N 2.79Å; G36-V38 PolarHBondContact O-N 2.8Å; V38-Q40 HydrophobicContact CB-CG 4.43Å; V38-Q40 HydrophobicContact CG1-CG 3.96Å; V38-Q40 VanDerWaalsContact CG1-NE2 3.33Å; V38-Q40 HydrophobicContact CG2-CG 3.71Å
39L94.1Very high89.5Confident3 Ų347.9 Ų47.92%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-90.6118.1161.8179.468.9000108F30 L32 S58 L59 L61 I84 W104 L108F30-L39 HydrophobicContact CB-CD1 4.39Å; F30-L39 HydrophobicContact CD1-CD1 3.93Å; F30-L39 HydrophobicContact CD1-CD2 4.11Å; F30-L39 HydrophobicContact CD1-CG 3.99Å; F30-L39 HydrophobicContact CE1-CD2 4.34Å; L32-L39 HydrophobicContact CB-CD1 3.9Å; L32-L39 HydrophobicContact CD1-CB 4.42Å; L32-L39 HydrophobicContact CD1-CD1 4.31Å; L39-S58 CarbonylContact O-C 3.53Å; L39-S58 VanDerWaalsContact O-CA 3.28Å; L39-S58 WeakPolarHBondContact O-CA 3.41Å; L39-L59 HydrophobicContact CB-CB 4.5Å; L39-L59 PolarHBondContact N-O 3.43Å; L39-L59 PolarHBondContact O-N 2.8Å; L39-L61 HydrophobicContact CB-CD2 3.94Å; L39-I84 HydrophobicContact CD2-CD1 3.89Å; L39-W104 HydrophobicContact CD1-CZ3 4.2Å; L39-L108 HydrophobicContact CD1-CD2 4.07Å; L39-L108 HydrophobicContact CD2-CD2 3.86Å; L39-L108 HydrophobicContact CG-CD2 4.43Å
40Q94Very high88.6Confident35 Ų3551.7 Ų51.716%0.16429%0.289CS..EExtended strand (participates in β ladder)trans-113.5155.8177.5-53.9-176.722.900109.8F30 I31 V38 Y42 F55F30-Q40 CarbonylContact C-O 3.6Å; F30-Q40 WeakPolarHBondContact CA-O 3.42Å; I31-Q40 PolarHBondContact N-O 2.64Å; I31-Q40 PolarHBondContact O-N 3.24Å; V38-Q40 HydrophobicContact CB-CG 4.43Å; V38-Q40 HydrophobicContact CG1-CG 3.96Å; V38-Q40 VanDerWaalsContact CG1-NE2 3.33Å; V38-Q40 HydrophobicContact CG2-CG 3.71Å; Q40-Y42 HydrophobicContact CB-CE2 4.11Å; Q40-Y42 PolarHBondContact OE1-OH 2.79Å; Q40-Y42 VanDerWaalsContact OE1-OH 3.11Å; Q40-F55 HydrophobicContact CB-CB 4.47Å
41W94.3Very high87.5Confident7 Ų758 Ų583%0.02733%0.333CS..EExtended strand (participates in β ladder)trans-142.8148.517163.191.7000113.7I16 R28 Y29 F30 F55 V56 G57 L59 Y91I16-W41 HydrophobicContact CD1-CZ2 4.25Å; R28-W41 HydrophobicContact CB-CB 4.12Å; R28-W41 HydrophobicContact CB-CG 4.35Å; Y29-W41 CarbonylContact O-C 3.54Å; Y29-W41 WeakPolarHBondContact O-CA 3.23Å; F30-W41 HydrophobicContact CD1-CB 3.62Å; F30-W41 HydrophobicContact CD1-CD2 4.41Å; F30-W41 HydrophobicContact CD1-CE3 4.13Å; F30-W41 HydrophobicContact CD1-CG 4.27Å; F30-W41 HydrophobicContact CD2-CB 4.05Å; F30-W41 HydrophobicContact CE1-CB 3.61Å; F30-W41 AromaticContact CE1-CD2 3.7Å; F30-W41 HydrophobicContact CE1-CD2 3.7Å; F30-W41 AromaticContact CE1-CE3 3.55Å; F30-W41 HydrophobicContact CE1-CE3 3.55Å; F30-W41 AromaticContact CE1-CG 3.76Å; F30-W41 HydrophobicContact CE1-CG 3.76Å; F30-W41 HydrophobicContact CE1-CZ3 4.43Å; F30-W41 HydrophobicContact CE2-CB 4.05Å; F30-W41 HydrophobicContact CE2-CG 4.45Å; F30-W41 HydrophobicContact CG-CB 3.84Å; F30-W41 HydrophobicContact CZ-CB 3.81Å; F30-W41 HydrophobicContact CZ-CD2 4.07Å; F30-W41 HydrophobicContact CZ-CE3 4.36Å; F30-W41 AromaticContact CZ-CG 3.85Å; F30-W41 HydrophobicContact CZ-CG 3.85Å; W41-F55 CarbonylContact O-C 3.57Å; W41-F55 WeakPolarHBondContact O-CB 3.41Å; W41-V56 PolarHBondContact O-N 2.91Å; W41-G57 VanDerWaalsContact CE2-CA 3.5Å; W41-G57 PolarHBondContact N-O 3.18Å; W41-G57 PolarHBondContact O-N 3.4Å; W41-L59 HydrophobicContact CZ3-CB 4.15Å; W41-Y91 HydrophobicContact CH2-CE1 4.12Å
42Y91.3Very high86.3Confident32 Ų3261.7 Ų61.713%0.12537%0.373CS..EExtended strand (participates in β ladder)trans-124.3166.1-170.4-66.2-99.6000111.1R28 Y29 I31 Q40 D44 P46 L49 F55R28-Y42 WeakPolarHBondContact CA-O 3.29Å; R28-Y42 WeakPolarHBondContact CB-O 3.38Å; R28-Y42 VanDerWaalsContact CD-O 3.28Å; R28-Y42 WeakPolarHBondContact CD-O 3.5Å; Y29-Y42 PolarHBondContact N-O 2.78Å; Y29-Y42 PolarHBondContact O-N 3.06Å; I31-Y42 HydrophobicContact CD1-CD2 4.28Å; I31-Y42 HydrophobicContact CD1-CE2 3.92Å; I31-Y42 HydrophobicContact CG1-CE2 4.45Å; Q40-Y42 HydrophobicContact CB-CE2 4.11Å; Q40-Y42 PolarHBondContact OE1-OH 2.79Å; Q40-Y42 VanDerWaalsContact OE1-OH 3.11Å; Y42-D44 VanDerWaalsContact C-N 3.26Å; Y42-D44 WeakPolarHBondContact CB-O 3.37Å; Y42-D44 PolarHBondContact O-N 2.93Å; Y42-P46 HydrophobicContact CD1-CG 3.75Å; Y42-P46 HydrophobicContact CD2-CG 3.68Å; Y42-P46 HydrophobicContact CE1-CB 4.5Å; Y42-P46 HydrophobicContact CE1-CG 3.88Å; Y42-P46 HydrophobicContact CE2-CG 3.84Å; Y42-P46 HydrophobicContact CG-CG 3.65Å; Y42-L49 HydrophobicContact CD1-CD1 4.4Å; Y42-F55 HydrophobicContact CD1-CB 4.12Å; Y42-F55 HydrophobicContact CD2-CB 4.38Å; Y42-F55 HydrophobicContact CE1-CB 3.79Å; Y42-F55 HydrophobicContact CE2-CB 4.05Å; Y42-F55 HydrophobicContact CG-CB 4.41Å
43M87.4Confident85.3Confident108 Ų10863.8 Ų63.853%0.53239%0.391SS..SBendtrans-61-38175.2-73.9-75.215400111.9R28 V56R28-M43 PolarHBondContact NH1-SD 3.19Å; M43-V56 HydrophobicContact CB-CG2 4.45Å; M43-V56 HydrophobicContact CE-CB 4.4Å; M43-V56 HydrophobicContact CE-CG1 3.94Å; M43-V56 HydrophobicContact CE-CG2 3.5Å; M43-V56 HydrophobicContact CG-CG2 3.67Å; M43-V56 HydrophobicContact SD-CG2 4.19Å
44D89.6Confident84.7Confident59 Ų5966.1 Ų66.132%0.31641%0.409SS..SBendtrans-150.9178.5177.8-159.4-25.9000107.3F13 Y29 Y42 P46 N48 L49F13-D44 WeakPolarHBondContact CZ-OD1 3.44Å; Y29-D44 VanDerWaalsContact CB-C 3.41Å; Y29-D44 WeakPolarHBondContact CB-O 3.48Å; Y42-D44 VanDerWaalsContact C-N 3.26Å; Y42-D44 WeakPolarHBondContact CB-O 3.37Å; Y42-D44 PolarHBondContact O-N 2.93Å; D44-P46 WeakPolarHBondContact O-CD 3.27Å; D44-N48 PolarHBondContact OD1-ND2 2.93Å; D44-L49 HydrophobicContact CB-CD2 3.88Å; D44-L49 HydrophobicContact CB-CG 4.27Å
45N88Confident84.6Confident21 Ų2165.5 Ų65.511%0.11240%0.399CS..  trans-51.1124.8169.5179.7-12.7000110Y29 Q47 N48 L49Y29-N45 HydrophobicContact CD1-CB 4.41Å; Y29-N45 HydrophobicContact CD2-CB 3.91Å; Y29-N45 HydrophobicContact CE1-CB 4.38Å; Y29-N45 HydrophobicContact CE2-CB 3.88Å; Y29-N45 HydrophobicContact CG-CB 4.16Å; N45-Q47 PolarHBondContact O-N 2.7Å; N45-Q47 PolarHBondContact OD1-N 2.79Å; N45-N48 WeakPolarHBondContact O-CB 3.48Å; N45-N48 PolarHBondContact O-N 2.84Å; N45-L49 PolarHBondContact O-N 3.03Å
46P84.3Confident84.5Confident44 Ų4459 Ų5929%0.28637%0.371SS..THydrogen-bonded Turntrans-54.1-23179.5-3037000115.4I31 Y42 D44 N48 L49I31-P46 HydrophobicContact CD1-CG 3.92Å; Y42-P46 HydrophobicContact CD1-CG 3.75Å; Y42-P46 HydrophobicContact CD2-CG 3.68Å; Y42-P46 HydrophobicContact CE1-CB 4.5Å; Y42-P46 HydrophobicContact CE1-CG 3.88Å; Y42-P46 HydrophobicContact CE2-CG 3.84Å; Y42-P46 HydrophobicContact CG-CG 3.65Å; D44-P46 WeakPolarHBondContact O-CD 3.27Å; P46-N48 VanDerWaalsContact C-N 3.28Å; P46-N48 PolarHBondContact O-N 2.87Å; P46-L49 PolarHBondContact O-N 2.77Å
47Q82.2Confident84.7Confident130 Ų13056.9 Ų56.961%0.60735%0.349SS*.THydrogen-bonded Turntrans-71-22.7174.7-61.3-179.811.400113.3N45N45-Q47 PolarHBondContact O-N 2.7Å; N45-Q47 PolarHBondContact OD1-N 2.79Å
48N82.8Confident84.7Confident112 Ų11255.3 Ų55.360%0.59934%0.342SS*.THydrogen-bonded Turntrans-92.2-10.8176.8-61.2-12000112.5D44 N45 P46D44-N48 PolarHBondContact OD1-ND2 2.93Å; N45-N48 WeakPolarHBondContact O-CB 3.48Å; N45-N48 PolarHBondContact O-N 2.84Å; P46-N48 VanDerWaalsContact C-N 3.28Å; P46-N48 PolarHBondContact O-N 2.87Å
49L80.4Confident84.6Confident50 Ų5054.5 Ų54.526%0.26234%0.337SS..SBendtrans-92.6156.1-176.4-63.4178.4000111.5Y42 D44 N45 P46 A53Y42-L49 HydrophobicContact CD1-CD1 4.4Å; D44-L49 HydrophobicContact CB-CD2 3.88Å; D44-L49 HydrophobicContact CB-CG 4.27Å; N45-L49 PolarHBondContact O-N 3.03Å; P46-L49 PolarHBondContact O-N 2.77Å; L49-A53 HydrophobicContact CB-CB 3.62Å; L49-A53 HydrophobicContact CD1-CB 3.99Å; L49-A53 HydrophobicContact CG-CB 4.39Å
50A76.1Confident84.3Confident84 Ų8461 Ų6169%0.69436%0.361SS*.PPolyproline II helixtrans-5914517600000111.7G52 A53A50-G52 PolarHBondContact O-N 2.9Å; A50-G52 VanDerWaalsContact O-N 3.14Å; A50-A53 VanDerWaalsContact O-CB 3.29Å; A50-A53 WeakPolarHBondContact O-CB 3.49Å; A50-A53 PolarHBondContact O-N 2.83Å
51S71.8Confident84Confident135 Ų13559.4 Ų59.494%0.94435%0.354SS*.THydrogen-bonded Turntrans-55.6119179.2-50.30000111
52G70.5Confident83.6Confident84 Ų8463.3 Ų63.387%0.86638%0.379SS*.THydrogen-bonded Turntrans98.13.5-174.600000115.5A50 S54A50-G52 PolarHBondContact O-N 2.9Å; A50-G52 VanDerWaalsContact O-N 3.14Å; G52-S54 PolarHBondContact O-N 3.45Å
53A73.4Confident83.3Confident46 Ų4665 Ų6538%0.3839%0.386SS..PPolyproline II helixtrans-60.3123.7172.800000112.1L49 A50L49-A53 HydrophobicContact CB-CB 3.62Å; L49-A53 HydrophobicContact CD1-CB 3.99Å; L49-A53 HydrophobicContact CG-CB 4.39Å; A50-A53 VanDerWaalsContact O-CB 3.29Å; A50-A53 WeakPolarHBondContact O-CB 3.49Å; A50-A53 PolarHBondContact O-N 2.83Å
54S78.6Confident83.3Confident74 Ų7460.4 Ų60.452%0.51736%0.363SS..PPolyproline II helixtrans-79.3159.9178.663.70000112.5G52G52-S54 PolarHBondContact O-N 3.45Å
55F85.6Confident83.2Confident68 Ų6861.9 Ų61.930%0.29838%0.378SS..PPolyproline II helixtrans-63.9152.1164.654.8-98.1000110.7Q40 W41 Y42Q40-F55 HydrophobicContact CB-CB 4.47Å; W41-F55 CarbonylContact O-C 3.57Å; W41-F55 WeakPolarHBondContact O-CB 3.41Å; Y42-F55 HydrophobicContact CD1-CB 4.12Å; Y42-F55 HydrophobicContact CD2-CB 4.38Å; Y42-F55 HydrophobicContact CE1-CB 3.79Å; Y42-F55 HydrophobicContact CE2-CB 4.05Å; Y42-F55 HydrophobicContact CG-CB 4.41Å
56V85.8Confident83.2Confident30 Ų3066.9 Ų66.918%0.18240%0.399CS..SBendtrans-83.2-31.5176.4-178.80000110.8W41 M43W41-V56 PolarHBondContact O-N 2.91Å; M43-V56 HydrophobicContact CB-CG2 4.45Å; M43-V56 HydrophobicContact CE-CB 4.4Å; M43-V56 HydrophobicContact CE-CG1 3.94Å; M43-V56 HydrophobicContact CE-CG2 3.5Å; M43-V56 HydrophobicContact CG-CG2 3.67Å; M43-V56 HydrophobicContact SD-CG2 4.19Å
57G86.4Confident83.7Confident0 Ų065 Ų650%039%0.387CS..EExtended strand (participates in β ladder)trans-164.6168.6171.800000112.7W41W41-G57 VanDerWaalsContact CE2-CA 3.5Å; W41-G57 PolarHBondContact N-O 3.18Å; W41-G57 PolarHBondContact O-N 3.4Å
58S91.1Very high84.1Confident22 Ų2260.4 Ų60.415%0.15437%0.369CS..EExtended strand (participates in β ladder)trans-150.2151.9179.164.60000112L39L39-S58 CarbonylContact O-C 3.53Å; L39-S58 VanDerWaalsContact O-CA 3.28Å; L39-S58 WeakPolarHBondContact O-CA 3.41Å
59L88.6Confident84.5Confident1 Ų160.2 Ų60.21%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-141113-178.6176.260.5000108.6L39 W41 I64 I84 A86 Y91L39-L59 HydrophobicContact CB-CB 4.5Å; L39-L59 PolarHBondContact N-O 3.43Å; L39-L59 PolarHBondContact O-N 2.8Å; W41-L59 HydrophobicContact CZ3-CB 4.15Å; L59-I64 HydrophobicContact CD2-CD1 4.09Å; L59-I64 HydrophobicContact CD2-CG1 3.91Å; L59-I64 HydrophobicContact CG-CD1 4.42Å; L59-I64 HydrophobicContact CG-CG1 4.15Å; L59-I84 HydrophobicContact CD2-CG2 3.82Å; L59-A86 HydrophobicContact CD1-CB 3.95Å; L59-Y91 HydrophobicContact CD1-CE2 4Å; L59-Y91 HydrophobicContact CD2-CD2 3.96Å; L59-Y91 HydrophobicContact CD2-CE2 3.76Å; L59-Y91 HydrophobicContact CG-CE2 4.47Å
60R87.9Confident84.8Confident138 Ų13858.8 Ų58.852%0.52136%0.36SS..EExtended strand (participates in β ladder)trans-66.2138.9174.3-56.7-173.4-178.6161.6-5.3110.4N37 T62 Y63N37-R60 CarbonylContact O-C 3.59Å; N37-R60 WeakPolarHBondContact O-CA 3.27Å; N37-R60 WeakPolarHBondContact O-CB 3.3Å; R60-T62 VanDerWaalsContact C-N 3.29Å; R60-T62 PolarHBondContact O-N 3.18Å; R60-Y63 HydrophobicContact CB-CD2 3.58Å; R60-Y63 HydrophobicContact CB-CE2 3.67Å; R60-Y63 HydrophobicContact CB-CG 4.37Å; R60-Y63 HydrophobicContact CG-CD2 4.13Å; R60-Y63 HydrophobicContact CG-CE2 3.77Å; R60-Y63 PolarHBondContact NH1-OH 3.02Å; R60-Y63 WeakPolarHBondContact O-CB 3.38Å; R60-Y63 PolarHBondContact O-N 2.96Å
61L87.7Confident85Confident2 Ų258.5 Ų58.51%0.0135%0.35CS..G310 helixtrans-69-32.1-173.1-48.4173.2000111.3L32 N37 L39 Y63 I64 A111L32-L61 HydrophobicContact CD1-CD1 3.77Å; L32-L61 HydrophobicContact CD1-CD2 3.43Å; L32-L61 VanDerWaalsContact CD1-CD2 3.43Å; L32-L61 HydrophobicContact CD1-CG 4.22Å; N37-L61 PolarHBondContact O-N 3.13Å; N37-L61 VanDerWaalsContact OD1-CB 3.31Å; N37-L61 WeakPolarHBondContact OD1-CB 3.36Å; N37-L61 PolarHBondContact OD1-N 3.23Å; L39-L61 HydrophobicContact CB-CD2 3.94Å; L61-Y63 PolarHBondContact O-N 3.07Å; L61-Y63 VanDerWaalsContact O-N 3.08Å; L61-I64 HydrophobicContact CD2-CD1 3.93Å; L61-I64 WeakPolarHBondContact O-CB 3.34Å; L61-I64 PolarHBondContact O-N 3.19Å; L61-A111 HydrophobicContact CD1-CB 3.83Å
62T85.8Confident85.1Confident89 Ų8955.9 Ų55.955%0.54634%0.336SS..G310 helixtrans-59.4-13.6169.547.70000115.1N37 R60N37-T62 VanDerWaalsContact ND2-CG2 3.31Å; N37-T62 WeakPolarHBondContact ND2-CG2 3.14Å; N37-T62 PolarHBondContact ND2-OG1 3.4Å; N37-T62 PolarHBondContact OD1-N 3.33Å; N37-T62 VanDerWaalsContact OD1-N 3.11Å; R60-T62 VanDerWaalsContact C-N 3.29Å; R60-T62 PolarHBondContact O-N 3.18Å
63Y85.2Confident85Confident68 Ų6861.5 Ų61.527%0.26734%0.336SS..G310 helixtrans-94.8-5.9173.1-57.4-41.8000113.5R60 L61 A86 V87 K234R60-Y63 HydrophobicContact CB-CD2 3.58Å; R60-Y63 HydrophobicContact CB-CE2 3.67Å; R60-Y63 HydrophobicContact CB-CG 4.37Å; R60-Y63 HydrophobicContact CG-CD2 4.13Å; R60-Y63 HydrophobicContact CG-CE2 3.77Å; R60-Y63 PolarHBondContact NH1-OH 3.02Å; R60-Y63 WeakPolarHBondContact O-CB 3.38Å; R60-Y63 PolarHBondContact O-N 2.96Å; L61-Y63 PolarHBondContact O-N 3.07Å; L61-Y63 VanDerWaalsContact O-N 3.08Å; Y63-A86 CarbonylContact O-C 3.59Å; Y63-A86 WeakPolarHBondContact O-CA 3.25Å; Y63-A86 VanDerWaalsContact O-CB 3.29Å; Y63-A86 WeakPolarHBondContact O-CB 3.22Å; Y63-V87 PolarHBondContact O-N 2.85Å; Y63-K234 HydrophobicContact CD2-CD 4.21Å; Y63-K234 VanDerWaalsContact CD2-CE 3.46Å; Y63-K234 HydrophobicContact CE2-CD 4.45Å
64I88.4Confident84.8Confident12 Ų1262.4 Ų62.46%0.06233%0.333CS..EExtended strand (participates in β ladder)trans-83.1117.3176.4-59.6176.3000108.3L59 L61 V67 I84L59-I64 HydrophobicContact CD2-CD1 4.09Å; L59-I64 HydrophobicContact CD2-CG1 3.91Å; L59-I64 HydrophobicContact CG-CD1 4.42Å; L59-I64 HydrophobicContact CG-CG1 4.15Å; L61-I64 HydrophobicContact CD2-CD1 3.93Å; L61-I64 WeakPolarHBondContact O-CB 3.34Å; L61-I64 PolarHBondContact O-N 3.19Å; I64-V67 HydrophobicContact CG2-CG2 3.56Å; I64-I84 HydrophobicContact CB-CG2 4.34Å; I64-I84 HydrophobicContact CD1-CG2 3.91Å; I64-I84 HydrophobicContact CG1-CG2 3.76Å; I64-I84 HydrophobicContact CG2-CG2 3.82Å
65S87.1Confident84.6Confident90 Ų9060 Ų6063%0.62931%0.313SS*.EExtended strand (participates in β ladder)trans-90.1-31.8177.258.90000112.8N85S65-N85 PolarHBondContact N-O 3.44Å; S65-N85 PolarHBondContact OG-O 3.47Å
66K88.7Confident83.4Confident125 Ų12562 Ų6254%0.54333%0.333SS..EExtended strand (participates in β ladder)trans-162.6134177.7178.6171.7178.2173.20111.5N85K66-N85 HydrophobicContact CB-CB 4.38Å; K66-N85 PolarHBondContact N-O 3.49Å; K66-N85 WeakPolarHBondContact O-CB 3.32Å; K66-N85 PolarHBondContact O-N 3.16Å; K66-N85 PolarHBondContact O-ND2 3.45Å
67V93.1Very high82.4Confident6 Ų670.2 Ų70.24%0.03637%0.366CS..EExtended strand (participates in β ladder)trans-107.4131.7164.2-169.80000109.2I64 F82 I84 V105 L108 N109I64-V67 HydrophobicContact CG2-CG2 3.56Å; V67-F82 HydrophobicContact CG1-CD2 3.86Å; V67-F82 HydrophobicContact CG1-CE2 4.24Å; V67-I84 HydrophobicContact CG1-CG1 4.12Å; V67-I84 HydrophobicContact CG2-CB 4.5Å; V67-I84 HydrophobicContact CG2-CG1 4.15Å; V67-I84 HydrophobicContact CG2-CG2 4.22Å; V67-V105 HydrophobicContact CG1-CB 4.47Å; V67-V105 HydrophobicContact CG1-CG1 4.33Å; V67-V105 HydrophobicContact CG1-CG2 4.17Å; V67-L108 HydrophobicContact CG1-CB 4.38Å; V67-L108 HydrophobicContact CG1-CD1 4.33Å; V67-L108 HydrophobicContact CG2-CB 3.96Å; V67-N109 PolarHBondContact O-ND2 3.04Å; V67-N109 VanDerWaalsContact O-ND2 3.1Å; V67-N109 PolarHBondContact O-OD1 2.76Å
68S91.4Very high81.9Confident33 Ų3371.6 Ų71.623%0.23138%0.375CS..EExtended strand (participates in β ladder)trans-152.1156.1178.657.90000111.2V83S68-V83 PolarHBondContact N-O 3.43Å; S68-V83 VanDerWaalsContact N-O 3.11Å; S68-V83 WeakPolarHBondContact O-CG1 3.5Å; S68-V83 PolarHBondContact O-N 3.44Å
69E91.3Very high81.5Confident107 Ų10777.4 Ų77.450%0.540%0.399SS..EExtended strand (participates in β ladder)trans-54.3144.6168.4-59.9-179.4-163.500110.9M101E69-M101 VanDerWaalsContact CD-CE 3.4Å; E69-M101 HydrophobicContact CG-CE 3.68Å; E69-M101 HydrophobicContact CG-SD 4.14Å
70A86.9Confident81.6Confident20 Ų2081 Ų8117%0.16542%0.415CS..PPolyproline II helixtrans-82.9125.9178.600000108.6C81 F92A70-C81 HydrophobicContact CB-CB 4.09Å; A70-C81 VanDerWaalsContact CB-O 3.28Å; A70-C81 WeakPolarHBondContact CB-O 3.5Å; A70-C81 PolarHBondContact N-O 3.12Å; A70-F92 HydrophobicContact CB-CD1 4.39Å
71T80.4Confident81.9Confident79 Ų7974.8 Ų74.849%0.48539%0.392SS..PPolyproline II helixtrans-68.7146.8178.156.60000110.6K73 Q74 K75T71-K73 PolarHBondContact O-N 3.35Å; T71-Q74 WeakPolarHBondContact O-CB 3.4Å; T71-Q74 PolarHBondContact O-N 3.02Å; T71-Q74 VanDerWaalsContact OG1-CD 3.28Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.33Å; T71-Q74 PolarHBondContact OG1-OE1 2.82Å; T71-K75 PolarHBondContact O-N 3.31Å
72A73.6Confident82.2Confident79 Ų7974.7 Ų74.765%0.65339%0.392SS*.THydrogen-bonded Turntrans-54.5-24.9176.600000113.4Q74 K75 P76A72-Q74 VanDerWaalsContact C-N 3.35Å; A72-K75 CarbonylContact O-C 3.45Å; A72-P76 WeakPolarHBondContact O-CA 3.4Å; A72-P76 WeakPolarHBondContact O-CB 3.41Å; A72-P76 WeakPolarHBondContact O-CD 3.5Å; A72-P76 VanDerWaalsContact O-CG 3.23Å; A72-P76 WeakPolarHBondContact O-CG 3.45Å; A72-P76 VanDerWaalsContact O-N 3.1Å
73K68.1Low82.5Confident202 Ų20270.5 Ų70.588%0.87837%0.366SS*.THydrogen-bonded Turntrans-68-29172.5-65.9-172.5178-176.30113.9T71T71-K73 PolarHBondContact O-N 3.35Å
74Q70.1Confident82.9Confident65 Ų6567.3 Ų67.330%0.30435%0.354SS..THydrogen-bonded Turntrans-84.3-39.1-179.8-68.5166.1-5400111.9T71 A72 F92T71-Q74 WeakPolarHBondContact O-CB 3.4Å; T71-Q74 PolarHBondContact O-N 3.02Å; T71-Q74 VanDerWaalsContact OG1-CD 3.28Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.33Å; T71-Q74 PolarHBondContact OG1-OE1 2.82Å; A72-Q74 VanDerWaalsContact C-N 3.35Å; Q74-F92 HydrophobicContact CB-CE1 4.32Å
75K72.9Confident82.9Confident25 Ų2567.7 Ų67.711%0.10936%0.356CS..  trans-140.685.5175.8-64.8-68.5-173.8176.10110.9E17 T71 A72 K77 T78 F92E17-K75 IonicContact OE1-NZ 2.97Å; E17-K75 PolarHBondContact OE1-NZ 2.91Å; E17-K75 WeakPolarHBondContact OE2-CE 3.48Å; E17-K75 IonicContact OE2-NZ 3.34Å; E17-K75 PolarHBondContact OE2-NZ 2.92Å; T71-K75 PolarHBondContact O-N 3.31Å; A72-K75 CarbonylContact O-C 3.45Å; K75-K77 PolarHBondContact O-N 3.08Å; K75-T78 WeakPolarHBondContact CB-OG1 3.4Å; K75-F92 HydrophobicContact CG-CD1 4.07Å; K75-F92 HydrophobicContact CG-CE1 4.31Å
76P60.6Low82.9Confident109 Ų10964 Ų6471%0.70833%0.331SS*.THydrogen-bonded Turntrans-67.7-6.1-176.8-17.427.9000115.5A72A72-P76 WeakPolarHBondContact O-CA 3.4Å; A72-P76 WeakPolarHBondContact O-CB 3.41Å; A72-P76 WeakPolarHBondContact O-CD 3.5Å; A72-P76 VanDerWaalsContact O-CG 3.23Å; A72-P76 WeakPolarHBondContact O-CG 3.45Å; A72-P76 VanDerWaalsContact O-N 3.1Å
77K65.6Low82.2Confident203 Ų20363.9 Ų63.988%0.88334%0.34SS*.THydrogen-bonded Turntrans-126.211.6-169.2-62.3-171.6176.1-173.50113.9K75K75-K77 PolarHBondContact O-N 3.08Å
78T76.1Confident81.2Confident29 Ų2966.6 Ų66.618%0.17836%0.36CS..  trans-131.9102.7179.659.70000110F25 K75 C81F25-T78 HydrophobicContact CD2-CG2 4.33Å; F25-T78 HydrophobicContact CE2-CG2 3.62Å; F25-T78 HydrophobicContact CZ-CG2 4.01Å; K75-T78 WeakPolarHBondContact CB-OG1 3.4Å; T78-C81 WeakPolarHBondContact O-CB 3.43Å; T78-C81 WeakPolarHBondContact OG1-CB 3.29Å
79E83.1Confident80.6Confident144 Ų14467.3 Ų67.367%0.67336%0.357SS*.THydrogen-bonded Turntrans-67.4154.3171.2-58.8-178.5116.600110.2C81 Q94E79-C81 PolarHBondContact O-N 3.13Å; E79-C81 VanDerWaalsContact O-N 3.16Å; E79-Q94 WeakPolarHBondContact O-CG 3.39Å; E79-Q94 PolarHBondContact O-NE2 3.41Å
80F90.8Very high80.4Confident77 Ų7767.6 Ų67.634%0.33835%0.354SS..THydrogen-bonded Turntrans5631.3178.7-36.9-53.5000114.1A95 A98 M101F80-A95 HydrophobicContact CB-CB 4.34Å; F80-A95 PolarHBondContact O-N 3.5Å; F80-A98 HydrophobicContact CD1-CB 3.78Å; F80-A98 VanDerWaalsContact CD1-N 3.35Å; F80-A98 HydrophobicContact CE1-CB 3.83Å; F80-M101 HydrophobicContact CB-CB 4.38Å
81C92.5Very high80.6Confident6 Ų666.9 Ų66.94%0.04135%0.347CS..EExtended strand (participates in β ladder)trans-92.4135.4179.3-175.70000112A70 T78 E79 L93A70-C81 HydrophobicContact CB-CB 4.09Å; A70-C81 VanDerWaalsContact CB-O 3.28Å; A70-C81 WeakPolarHBondContact CB-O 3.5Å; A70-C81 PolarHBondContact N-O 3.12Å; T78-C81 WeakPolarHBondContact O-CB 3.43Å; T78-C81 WeakPolarHBondContact OG1-CB 3.29Å; E79-C81 PolarHBondContact O-N 3.13Å; E79-C81 VanDerWaalsContact O-N 3.16Å; C81-L93 CarbonylContact C-O 3.59Å; C81-L93 VanDerWaalsContact CA-O 3.28Å; C81-L93 WeakPolarHBondContact CA-O 3.46Å; C81-L93 PolarHBondContact SG-O 3.4Å; C81-L93 VanDerWaalsContact SG-O 3.34Å
82F94.1Very high81.2Confident0 Ų064.2 Ų64.20%033%0.329CS..EExtended strand (participates in β ladder)trans-128.3160.7172.170.3-84.3000111.8L14 V67 I84 L93 M101 W104 V105 L108L14-F82 HydrophobicContact CD1-CE1 4.02Å; L14-F82 HydrophobicContact CD1-CZ 3.68Å; L14-F82 HydrophobicContact CD2-CE1 4.09Å; V67-F82 HydrophobicContact CG1-CD2 3.86Å; V67-F82 HydrophobicContact CG1-CE2 4.24Å; F82-I84 HydrophobicContact CD2-CG1 4.35Å; F82-I84 HydrophobicContact CE2-CD1 4.24Å; F82-I84 HydrophobicContact CE2-CG1 4.01Å; F82-L93 HydrophobicContact CD1-CB 4.2Å; F82-L93 HydrophobicContact CE1-CB 3.71Å; F82-L93 HydrophobicContact CE2-CB 4.12Å; F82-L93 HydrophobicContact CE2-CD1 4.05Å; F82-L93 HydrophobicContact CE2-CG 4.49Å; F82-L93 HydrophobicContact CZ-CB 3.68Å; F82-L93 HydrophobicContact CZ-CD1 4.35Å; F82-L93 HydrophobicContact CZ-CD2 4.21Å; F82-L93 HydrophobicContact CZ-CG 4.3Å; F82-L93 PolarHBondContact N-O 3.34Å; F82-L93 PolarHBondContact O-N 2.85Å; F82-M101 HydrophobicContact CB-CG 4.2Å; F82-M101 HydrophobicContact CD1-CG 3.98Å; F82-M101 HydrophobicContact CG-CG 4.48Å; F82-W104 HydrophobicContact CE1-CB 4.15Å; F82-W104 HydrophobicContact CZ-CB 3.95Å; F82-V105 HydrophobicContact CB-CG2 3.65Å; F82-V105 HydrophobicContact CD1-CG2 4.34Å; F82-V105 HydrophobicContact CD2-CG2 3.8Å; F82-V105 HydrophobicContact CE2-CG2 4.5Å; F82-V105 HydrophobicContact CG-CG2 3.69Å; F82-L108 HydrophobicContact CE2-CD1 3.66Å; F82-L108 HydrophobicContact CZ-CD1 4.16Å
83V92.8Very high82.1Confident1 Ų160.5 Ų60.51%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-121.6124.2-177.860.40000111.6S68 R90 Y91 F92S68-V83 PolarHBondContact N-O 3.43Å; S68-V83 VanDerWaalsContact N-O 3.11Å; S68-V83 WeakPolarHBondContact O-CG1 3.5Å; S68-V83 PolarHBondContact O-N 3.44Å; V83-R90 HydrophobicContact CG2-CB 3.99Å; V83-Y91 VanDerWaalsContact CA-O 3.32Å; V83-Y91 WeakPolarHBondContact CA-O 3.36Å; V83-F92 HydrophobicContact CB-CD1 4.03Å; V83-F92 HydrophobicContact CB-CE1 3.97Å; V83-F92 HydrophobicContact CG2-CD1 4.19Å; V83-F92 HydrophobicContact CG2-CE1 3.94Å; V83-F92 HydrophobicContact CG2-CZ 4.24Å
84I93.6Very high83.3Confident1 Ų153.1 Ų53.11%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-91.8111.2166.5-56.6174.7000107.2L39 L59 I64 V67 F82 R90 Y91 L93 L108L39-I84 HydrophobicContact CD2-CD1 3.89Å; L59-I84 HydrophobicContact CD2-CG2 3.82Å; I64-I84 HydrophobicContact CB-CG2 4.34Å; I64-I84 HydrophobicContact CD1-CG2 3.91Å; I64-I84 HydrophobicContact CG1-CG2 3.76Å; I64-I84 HydrophobicContact CG2-CG2 3.82Å; V67-I84 HydrophobicContact CG1-CG1 4.12Å; V67-I84 HydrophobicContact CG2-CB 4.5Å; V67-I84 HydrophobicContact CG2-CG1 4.15Å; V67-I84 HydrophobicContact CG2-CG2 4.22Å; F82-I84 HydrophobicContact CD2-CG1 4.35Å; F82-I84 HydrophobicContact CE2-CD1 4.24Å; F82-I84 HydrophobicContact CE2-CG1 4.01Å; I84-R90 WeakPolarHBondContact O-CA 3.17Å; I84-Y91 PolarHBondContact N-O 3.17Å; I84-Y91 PolarHBondContact O-N 2.92Å; I84-L93 HydrophobicContact CB-CD1 4.46Å; I84-L93 HydrophobicContact CD1-CD1 3.6Å; I84-L93 HydrophobicContact CG1-CD1 3.78Å; I84-L108 HydrophobicContact CD1-CD1 3.73Å; I84-L108 HydrophobicContact CG1-CD1 4.19Å
85N87.9Confident84.5Confident21 Ų2150.1 Ų50.111%0.11225%0.253CS..EExtended strand (participates in β ladder)trans-85.1118.7171.6-52.7-89.2000107.4S65 K66 R90S65-N85 PolarHBondContact N-O 3.44Å; S65-N85 PolarHBondContact OG-O 3.47Å; K66-N85 HydrophobicContact CB-CB 4.38Å; K66-N85 PolarHBondContact N-O 3.49Å; K66-N85 WeakPolarHBondContact O-CB 3.32Å; K66-N85 PolarHBondContact O-N 3.16Å; K66-N85 PolarHBondContact O-ND2 3.45Å; N85-R90 VanDerWaalsContact OD1-CZ 3.26Å; N85-R90 PolarHBondContact OD1-NE 2.89Å; N85-R90 PolarHBondContact OD1-NH2 3.26Å
86A87.6Confident85.4Confident12 Ų1252.4 Ų52.410%0.09927%0.266CS..EExtended strand (participates in β ladder)trans-124.5160.7175.500000111.2L59 Y63 S88 R89 Y91L59-A86 HydrophobicContact CD1-CB 3.95Å; Y63-A86 CarbonylContact O-C 3.59Å; Y63-A86 WeakPolarHBondContact O-CA 3.25Å; Y63-A86 VanDerWaalsContact O-CB 3.29Å; Y63-A86 WeakPolarHBondContact O-CB 3.22Å; A86-S88 PolarHBondContact O-N 2.85Å; A86-S88 VanDerWaalsContact O-N 3.1Å; A86-R89 WeakPolarHBondContact CB-O 3.48Å; A86-R89 PolarHBondContact N-O 3.1Å; A86-R89 PolarHBondContact O-N 3.49Å; A86-R89 VanDerWaalsContact O-O 3.1Å; A86-Y91 HydrophobicContact CB-CD2 4.45Å; A86-Y91 HydrophobicContact CB-CE2 4.02Å
87V74Confident87Confident122 Ų12249.7 Ų49.774%0.73925%0.246SC*.SBendtrans-54.2-32.6-178.8179.80000112.8Y63Y63-V87 PolarHBondContact O-N 2.85Å
88S71.4Confident88.2Confident64 Ų6442 Ų4245%0.44822%0.22SC..SBendtrans-87.5-37.4-178.5570000114.7A86A86-S88 PolarHBondContact O-N 2.85Å; A86-S88 VanDerWaalsContact O-N 3.1Å
89R79.1Confident89.1Confident48 Ų4843.4 Ų43.418%0.18123%0.228CC..  trans-169.4173.6-178.373179-161.3172.111.2111.5E18 A86 Y91E18-R89 PolarHBondContact O-NH1 2.79Å; E18-R89 PolarHBondContact O-NH2 2.7Å; A86-R89 WeakPolarHBondContact CB-O 3.48Å; A86-R89 PolarHBondContact N-O 3.1Å; A86-R89 PolarHBondContact O-N 3.49Å; A86-R89 VanDerWaalsContact O-O 3.1Å; R89-Y91 HydrophobicContact CG-CD2 4.19Å; R89-Y91 HydrophobicContact CG-CE1 4.21Å; R89-Y91 HydrophobicContact CG-CE2 3.73Å
90R87.9Confident89.6Confident112 Ų11236.6 Ų36.642%0.42320%0.196SC..EExtended strand (participates in β ladder)trans-90.9140.7166.9-47.2-177.496.1162.29109.3V83 I84 N85 F92V83-R90 HydrophobicContact CG2-CB 3.99Å; I84-R90 WeakPolarHBondContact O-CA 3.17Å; N85-R90 VanDerWaalsContact OD1-CZ 3.26Å; N85-R90 PolarHBondContact OD1-NE 2.89Å; N85-R90 PolarHBondContact OD1-NH2 3.26Å; R90-F92 HydrophobicContact CB-CE2 4.43Å
91Y90.9Very high89.8Confident5 Ų533.6 Ų33.62%0.0218%0.184CC..EExtended strand (participates in β ladder)trans-114124.1170.7-58.1-100000108I16 W41 L59 V83 I84 A86 R89I16-Y91 HydrophobicContact CD1-CD1 4.13Å; W41-Y91 HydrophobicContact CH2-CE1 4.12Å; L59-Y91 HydrophobicContact CD1-CE2 4Å; L59-Y91 HydrophobicContact CD2-CD2 3.96Å; L59-Y91 HydrophobicContact CD2-CE2 3.76Å; L59-Y91 HydrophobicContact CG-CE2 4.47Å; V83-Y91 VanDerWaalsContact CA-O 3.32Å; V83-Y91 WeakPolarHBondContact CA-O 3.36Å; I84-Y91 PolarHBondContact N-O 3.17Å; I84-Y91 PolarHBondContact O-N 2.92Å; A86-Y91 HydrophobicContact CB-CD2 4.45Å; A86-Y91 HydrophobicContact CB-CE2 4.02Å; R89-Y91 HydrophobicContact CG-CD2 4.19Å; R89-Y91 HydrophobicContact CG-CE1 4.21Å; R89-Y91 HydrophobicContact CG-CE2 3.73Å
92F92.1Very high89.9Confident24 Ų2439.3 Ų39.311%0.10520%0.204CC..EExtended strand (participates in β ladder)trans-94.6127169.8-65.6-83.8000108.6E17 F25 A70 Q74 K75 V83 R90E17-F92 HydrophobicContact CB-CB 4.25Å; E17-F92 PolarHBondContact N-O 3.28Å; E17-F92 WeakPolarHBondContact OE2-CD2 3.3Å; F25-F92 HydrophobicContact CE1-CB 4.08Å; F25-F92 HydrophobicContact CZ-CB 4.24Å; A70-F92 HydrophobicContact CB-CD1 4.39Å; Q74-F92 HydrophobicContact CB-CE1 4.32Å; K75-F92 HydrophobicContact CG-CD1 4.07Å; K75-F92 HydrophobicContact CG-CE1 4.31Å; V83-F92 HydrophobicContact CB-CD1 4.03Å; V83-F92 HydrophobicContact CB-CE1 3.97Å; V83-F92 HydrophobicContact CG2-CD1 4.19Å; V83-F92 HydrophobicContact CG2-CE1 3.94Å; V83-F92 HydrophobicContact CG2-CZ 4.24Å; R90-F92 HydrophobicContact CB-CE2 4.43Å
93L93.9Very high89.9Confident0 Ų042 Ų420%022%0.219CC..EExtended strand (participates in β ladder)trans-125.6143177.2-60.293.6000108.7L14 D15 I16 F30 C81 F82 I84L14-L93 HydrophobicContact CB-CD2 4.34Å; L14-L93 HydrophobicContact CD1-CB 4.42Å; L14-L93 HydrophobicContact CD1-CD2 3.67Å; D15-L93 CarbonylContact O-C 3.57Å; D15-L93 WeakPolarHBondContact O-CA 3.43Å; I16-L93 HydrophobicContact CB-CD2 4.5Å; I16-L93 HydrophobicContact CB-CG 4.38Å; I16-L93 HydrophobicContact CD1-CD2 4.36Å; I16-L93 HydrophobicContact CD1-CG 4.4Å; I16-L93 HydrophobicContact CG1-CG 4.31Å; F30-L93 HydrophobicContact CD1-CD2 4.44Å; F30-L93 HydrophobicContact CE1-CD2 3.71Å; F30-L93 HydrophobicContact CE2-CD2 4.08Å; F30-L93 HydrophobicContact CZ-CD2 3.51Å; C81-L93 CarbonylContact C-O 3.59Å; C81-L93 VanDerWaalsContact CA-O 3.28Å; C81-L93 WeakPolarHBondContact CA-O 3.46Å; C81-L93 PolarHBondContact SG-O 3.4Å; C81-L93 VanDerWaalsContact SG-O 3.34Å; F82-L93 HydrophobicContact CD1-CB 4.2Å; F82-L93 HydrophobicContact CE1-CB 3.71Å; F82-L93 HydrophobicContact CE2-CB 4.12Å; F82-L93 HydrophobicContact CE2-CD1 4.05Å; F82-L93 HydrophobicContact CE2-CG 4.49Å; F82-L93 HydrophobicContact CZ-CB 3.68Å; F82-L93 HydrophobicContact CZ-CD1 4.35Å; F82-L93 HydrophobicContact CZ-CD2 4.21Å; F82-L93 HydrophobicContact CZ-CG 4.3Å; F82-L93 PolarHBondContact N-O 3.34Å; F82-L93 PolarHBondContact O-N 2.85Å; I84-L93 HydrophobicContact CB-CD1 4.46Å; I84-L93 HydrophobicContact CD1-CD1 3.6Å; I84-L93 HydrophobicContact CG1-CD1 3.78Å
94Q93.3Very high90.1Very high47 Ų4741.9 Ų41.922%0.2222%0.218CC..EExtended strand (participates in β ladder)trans-114.5129.2175.6178.7169.323.300108.6D15 F25 E79D15-Q94 HydrophobicContact CB-CB 4.37Å; D15-Q94 PolarHBondContact N-O 3.45Å; D15-Q94 PolarHBondContact O-N 2.98Å; F25-Q94 HydrophobicContact CD1-CB 4.1Å; F25-Q94 HydrophobicContact CE1-CB 4.26Å; E79-Q94 WeakPolarHBondContact O-CG 3.39Å; E79-Q94 PolarHBondContact O-NE2 3.41Å
95A94.6Very high90.1Very high3 Ų342.5 Ų42.53%0.02522%0.222CC..  trans-92.5167.7172.500000110.7L14 F80 D100 M101L14-A95 HydrophobicContact CD2-CB 3.85Å; F80-A95 HydrophobicContact CB-CB 4.34Å; F80-A95 PolarHBondContact O-N 3.5Å; A95-D100 HydrophobicContact CB-CB 4.02Å; A95-M101 HydrophobicContact CB-CB 3.81Å
96N91.8Very high90.4Very high73 Ų7346.6 Ų46.639%0.3924%0.244SC..SBendtrans-75.7-28-178.8-53.8-90.5000111.8F13 R27 D100F13-N96 PolarHBondContact O-ND2 3.44Å; R27-N96 PolarHBondContact NH1-OD1 2.77Å; R27-N96 PolarHBondContact NH2-OD1 3.34Å; N96-D100 WeakPolarHBondContact CB-OD2 3.4Å; N96-D100 PolarHBondContact N-OD2 2.97Å; N96-D100 PolarHBondContact ND2-OD2 2.8Å
97D93.3Very high90.7Very high52 Ų5247 Ų4728%0.27825%0.247SC..SBendtrans-155.5174.4-178.466.674.1000112.2V99 D100 M101D97-V99 VanDerWaalsContact C-N 3.33Å; D97-V99 PolarHBondContact O-N 3.2Å; D97-V99 VanDerWaalsContact OD1-CA 3.32Å; D97-V99 WeakPolarHBondContact OD1-CA 3.45Å; D97-V99 WeakPolarHBondContact OD1-CB 3.37Å; D97-V99 PolarHBondContact OD1-N 2.71Å; D97-D100 PolarHBondContact OD1-N 3.21Å; D97-D100 WeakPolarHBondContact OD2-CB 3.48Å; D97-M101 PolarHBondContact O-N 3.37Å
98A92Very high91.7Very high40 Ų4041.1 Ų41.133%0.33121%0.212SC..Hα-helixtrans-71.7-18.7-177.600000114.9F80 R102F80-A98 HydrophobicContact CD1-CB 3.78Å; F80-A98 VanDerWaalsContact CD1-N 3.35Å; F80-A98 HydrophobicContact CE1-CB 3.83Å; A98-R102 WeakPolarHBondContact O-CG 3.24Å; A98-R102 PolarHBondContact O-NE 3.29Å
99V94.4Very high92.6Very high59 Ų5939.9 Ų39.936%0.35820%0.2SC..Hα-helixtrans-82.3-48.9173.2-158.60000109M1 D97 M101 R102 D103M1-V99 HydrophobicContact CE-CB 4.06Å; M1-V99 HydrophobicContact CE-CG1 3.54Å; D97-V99 VanDerWaalsContact C-N 3.33Å; D97-V99 PolarHBondContact O-N 3.2Å; D97-V99 VanDerWaalsContact OD1-CA 3.32Å; D97-V99 WeakPolarHBondContact OD1-CA 3.45Å; D97-V99 WeakPolarHBondContact OD1-CB 3.37Å; D97-V99 PolarHBondContact OD1-N 2.71Å; V99-M101 VanDerWaalsContact C-N 3.27Å; V99-M101 PolarHBondContact O-N 2.82Å; V99-R102 PolarHBondContact O-N 3.05Å; V99-D103 VanDerWaalsContact O-CG 3.28Å; V99-D103 PolarHBondContact O-N 3.48Å
100D94.4Very high93.2Very high1 Ų145.7 Ų45.71%0.00523%0.226CC..Hα-helixtrans-51-44.6172.6-172.235.7000112.3M1 P2 A95 N96 D97 W104M1-D100 VanDerWaalsContact C-OD1 3.23Å; M1-D100 WeakPolarHBondContact CA-OD1 3.39Å; M1-D100 HydrophobicContact CG-CB 4.23Å; M1-D100 PolarHBondContact N-OD1 3.15Å; M1-D100 PolarHBondContact N-OD2 3.22Å; P2-D100 VanDerWaalsContact CD-OD1 3.26Å; P2-D100 WeakPolarHBondContact CD-OD1 3.48Å; A95-D100 HydrophobicContact CB-CB 4.02Å; N96-D100 WeakPolarHBondContact CB-OD2 3.4Å; N96-D100 PolarHBondContact N-OD2 2.97Å; N96-D100 PolarHBondContact ND2-OD2 2.8Å; D97-D100 PolarHBondContact OD1-N 3.21Å; D97-D100 WeakPolarHBondContact OD2-CB 3.48Å; D100-W104 WeakPolarHBondContact O-CB 3.31Å; D100-W104 VanDerWaalsContact O-CD1 3.24Å; D100-W104 PolarHBondContact O-N 2.79Å; D100-W104 VanDerWaalsContact O-N 3.1Å
101M94.8Very high93.2Very high15 Ų1541.4 Ų41.47%0.07422%0.215CC..Hα-helixtrans-59-49.6174-174.2-174.466.700112.2E69 F80 F82 A95 D97 V99 W104 V105E69-M101 VanDerWaalsContact CD-CE 3.4Å; E69-M101 HydrophobicContact CG-CE 3.68Å; E69-M101 HydrophobicContact CG-SD 4.14Å; F80-M101 HydrophobicContact CB-CB 4.38Å; F82-M101 HydrophobicContact CB-CG 4.2Å; F82-M101 HydrophobicContact CD1-CG 3.98Å; F82-M101 HydrophobicContact CG-CG 4.48Å; A95-M101 HydrophobicContact CB-CB 3.81Å; D97-M101 PolarHBondContact O-N 3.37Å; V99-M101 VanDerWaalsContact C-N 3.27Å; V99-M101 PolarHBondContact O-N 2.82Å; M101-W104 PolarHBondContact O-N 2.93Å; M101-V105 HydrophobicContact CG-CG2 4.47Å; M101-V105 WeakPolarHBondContact O-CB 3.27Å; M101-V105 VanDerWaalsContact O-CG2 3.25Å; M101-V105 WeakPolarHBondContact O-CG2 3.42Å; M101-V105 PolarHBondContact O-N 3.49Å
102R93.9Very high92.9Very high125 Ų12542 Ų4247%0.47222%0.22SC..Hα-helixtrans-66.8-45.6-176.9-75.4179.1-66.9163.43.8111.4A98 V99 W104 V105 D106A98-R102 WeakPolarHBondContact O-CG 3.24Å; A98-R102 PolarHBondContact O-NE 3.29Å; V99-R102 PolarHBondContact O-N 3.05Å; R102-W104 VanDerWaalsContact C-N 3.29Å; R102-W104 PolarHBondContact O-N 3.31Å; R102-V105 PolarHBondContact O-N 3.16Å; R102-V105 VanDerWaalsContact O-N 3.14Å; R102-D106 WeakPolarHBondContact O-CB 3.5Å; R102-D106 PolarHBondContact O-N 3.43Å
103D95.3Very high92.2Very high56 Ų5647.8 Ų47.830%0.29925%0.245SC..Hα-helixtrans-57.5-42.4177.2-65.3-20.2000111.5M1 P2 V99 A107M1-D103 WeakPolarHBondContact CE-OD2 3.44Å; P2-D103 HydrophobicContact CG-CB 3.47Å; P2-D103 VanDerWaalsContact CG-CB 3.47Å; V99-D103 VanDerWaalsContact O-CG 3.28Å; V99-D103 PolarHBondContact O-N 3.48Å; D103-A107 WeakPolarHBondContact O-CB 3.26Å; D103-A107 PolarHBondContact O-N 2.89Å
104W95.6Very high90.4Very high0 Ų054.9 Ų54.90%028%0.281CS..Hα-helixtrans-67.2-44.1174.7-89.6110.1000113P2 V10 L14 F30 L32 L39 F82 D100 M101 R102 D106 L108P2-W104 HydrophobicContact CB-CD2 4.13Å; P2-W104 HydrophobicContact CB-CG 4.39Å; P2-W104 HydrophobicContact CB-CZ2 4.04Å; P2-W104 HydrophobicContact CG-CD2 4.39Å; P2-W104 HydrophobicContact CG-CG 4.17Å; V10-W104 HydrophobicContact CG1-CZ3 4.46Å; L14-W104 HydrophobicContact CD1-CD2 3.68Å; L14-W104 HydrophobicContact CD1-CE3 4.16Å; L14-W104 HydrophobicContact CD1-CG 3.91Å; L14-W104 HydrophobicContact CD1-CZ2 4.19Å; L14-W104 HydrophobicContact CD2-CG 4.14Å; L14-W104 HydrophobicContact CG-CD2 4.27Å; L14-W104 HydrophobicContact CG-CG 4.35Å; L14-W104 HydrophobicContact CG-CZ2 4.31Å; F30-W104 HydrophobicContact CB-CH2 3.47Å; F30-W104 VanDerWaalsContact CB-CH2 3.47Å; F30-W104 HydrophobicContact CB-CZ2 3.94Å; F30-W104 HydrophobicContact CB-CZ3 4.22Å; L32-W104 HydrophobicContact CB-CZ3 4.3Å; L39-W104 HydrophobicContact CD1-CZ3 4.2Å; F82-W104 HydrophobicContact CE1-CB 4.15Å; F82-W104 HydrophobicContact CZ-CB 3.95Å; D100-W104 WeakPolarHBondContact O-CB 3.31Å; D100-W104 VanDerWaalsContact O-CD1 3.24Å; D100-W104 PolarHBondContact O-N 2.79Å; D100-W104 VanDerWaalsContact O-N 3.1Å; M101-W104 PolarHBondContact O-N 2.93Å; R102-W104 VanDerWaalsContact C-N 3.29Å; R102-W104 PolarHBondContact O-N 3.31Å; W104-D106 VanDerWaalsContact C-N 3.33Å; W104-D106 PolarHBondContact O-N 3.16Å; W104-L108 HydrophobicContact CE3-CD1 4.32Å; W104-L108 HydrophobicContact CE3-CG 4.35Å; W104-L108 VanDerWaalsContact O-CB 3.29Å; W104-L108 WeakPolarHBondContact O-CB 3.38Å; W104-L108 WeakPolarHBondContact O-CD1 3.4Å; W104-L108 WeakPolarHBondContact O-CG 3.33Å; W104-L108 PolarHBondContact O-N 3.05Å
105V94.6Very high88.4Confident13 Ų1358.2 Ų58.28%0.07931%0.305CS..Hα-helixtrans-61.9-41.6177.41680000111V67 F82 M101 R102 N109V67-V105 HydrophobicContact CG1-CB 4.47Å; V67-V105 HydrophobicContact CG1-CG1 4.33Å; V67-V105 HydrophobicContact CG1-CG2 4.17Å; F82-V105 HydrophobicContact CB-CG2 3.65Å; F82-V105 HydrophobicContact CD1-CG2 4.34Å; F82-V105 HydrophobicContact CD2-CG2 3.8Å; F82-V105 HydrophobicContact CE2-CG2 4.5Å; F82-V105 HydrophobicContact CG-CG2 3.69Å; M101-V105 HydrophobicContact CG-CG2 4.47Å; M101-V105 WeakPolarHBondContact O-CB 3.27Å; M101-V105 VanDerWaalsContact O-CG2 3.25Å; M101-V105 WeakPolarHBondContact O-CG2 3.42Å; M101-V105 PolarHBondContact O-N 3.49Å; R102-V105 PolarHBondContact O-N 3.16Å; R102-V105 VanDerWaalsContact O-N 3.14Å; V105-N109 WeakPolarHBondContact CG1-ND2 3.29Å; V105-N109 VanDerWaalsContact O-CB 3.27Å; V105-N109 WeakPolarHBondContact O-CB 3.47Å; V105-N109 PolarHBondContact O-N 2.95Å; V105-N109 PolarHBondContact O-ND2 2.88Å
106D93.7Very high85.6Confident107 Ų10763.6 Ų63.657%0.57234%0.337SS*.Hα-helixtrans-71.5-44.4178.6-78.9-21.6000112.1R102 W104 L108 N109 K110R102-D106 WeakPolarHBondContact O-CB 3.5Å; R102-D106 PolarHBondContact O-N 3.43Å; W104-D106 VanDerWaalsContact C-N 3.33Å; W104-D106 PolarHBondContact O-N 3.16Å; D106-L108 VanDerWaalsContact C-N 3.34Å; D106-L108 PolarHBondContact O-N 3.06Å; D106-N109 PolarHBondContact O-N 2.98Å; D106-K110 WeakPolarHBondContact O-CB 3.42Å; D106-K110 PolarHBondContact O-N 3.49Å
107A94.2Very high83.2Confident20 Ų2065.8 Ų65.817%0.16536%0.356CS..Hα-helixtrans-59-45.6175.100000111.5V10 L32 D103 K110 A111V10-A107 HydrophobicContact CG1-CB 4.05Å; V10-A107 HydrophobicContact CG2-CB 4.39Å; L32-A107 HydrophobicContact CD2-CB 4.01Å; D103-A107 WeakPolarHBondContact O-CB 3.26Å; D103-A107 PolarHBondContact O-N 2.89Å; A107-K110 PolarHBondContact O-N 2.96Å; A107-A111 VanDerWaalsContact O-CB 3.27Å; A107-A111 WeakPolarHBondContact O-CB 3.4Å; A107-A111 PolarHBondContact O-N 3.07Å
108L93.9Very high80.3Confident0 Ų072.4 Ų72.40%038%0.382CS..Hα-helixtrans-67.8-43.9178.1-71166.4000112.3L32 L39 V67 F82 I84 W104 D106 K110 A111 S112L32-L108 HydrophobicContact CD1-CD2 4Å; L32-L108 HydrophobicContact CD2-CD2 3.98Å; L32-L108 HydrophobicContact CD2-CG 4.37Å; L39-L108 HydrophobicContact CD1-CD2 4.07Å; L39-L108 HydrophobicContact CD2-CD2 3.86Å; L39-L108 HydrophobicContact CG-CD2 4.43Å; V67-L108 HydrophobicContact CG1-CB 4.38Å; V67-L108 HydrophobicContact CG1-CD1 4.33Å; V67-L108 HydrophobicContact CG2-CB 3.96Å; F82-L108 HydrophobicContact CE2-CD1 3.66Å; F82-L108 HydrophobicContact CZ-CD1 4.16Å; I84-L108 HydrophobicContact CD1-CD1 3.73Å; I84-L108 HydrophobicContact CG1-CD1 4.19Å; W104-L108 HydrophobicContact CE3-CD1 4.32Å; W104-L108 HydrophobicContact CE3-CG 4.35Å; W104-L108 VanDerWaalsContact O-CB 3.29Å; W104-L108 WeakPolarHBondContact O-CB 3.38Å; W104-L108 WeakPolarHBondContact O-CD1 3.4Å; W104-L108 WeakPolarHBondContact O-CG 3.33Å; W104-L108 PolarHBondContact O-N 3.05Å; D106-L108 VanDerWaalsContact C-N 3.34Å; D106-L108 PolarHBondContact O-N 3.06Å; L108-K110 VanDerWaalsContact C-N 3.33Å; L108-K110 PolarHBondContact O-N 2.74Å; L108-A111 CarbonylContact O-C 3.56Å; L108-A111 PolarHBondContact O-N 2.96Å; L108-S112 WeakPolarHBondContact O-CB 3.45Å; L108-S112 PolarHBondContact O-N 3.25Å; L108-S112 PolarHBondContact O-OG 3.29Å
109N92.2Very high77.7Confident38 Ų3875.8 Ų75.820%0.20340%0.403CS..Hα-helixtrans-65.6-35176.5-84.7-50.1000112.3V67 V105 D106 A111 K113V67-N109 PolarHBondContact O-ND2 3.04Å; V67-N109 VanDerWaalsContact O-ND2 3.1Å; V67-N109 PolarHBondContact O-OD1 2.76Å; V105-N109 WeakPolarHBondContact CG1-ND2 3.29Å; V105-N109 VanDerWaalsContact O-CB 3.27Å; V105-N109 WeakPolarHBondContact O-CB 3.47Å; V105-N109 PolarHBondContact O-N 2.95Å; V105-N109 PolarHBondContact O-ND2 2.88Å; D106-N109 PolarHBondContact O-N 2.98Å; N109-A111 VanDerWaalsContact C-N 3.31Å; N109-K113 WeakPolarHBondContact O-CB 3.06Å; N109-K113 WeakPolarHBondContact O-CD 3.48Å; N109-K113 WeakPolarHBondContact O-CG 3.39Å; N109-K113 PolarHBondContact O-N 2.73Å; N109-K113 VanDerWaalsContact O-N 3.09Å
110K90.3Very high74.6Confident169 Ų16978.4 Ų78.474%0.73542%0.423SS*.Hα-helixtrans-65.1-36.8172.8-176.4178.7179.7-178.80111.5D106 A107 L108D106-K110 WeakPolarHBondContact O-CB 3.42Å; D106-K110 PolarHBondContact O-N 3.49Å; A107-K110 PolarHBondContact O-N 2.96Å; L108-K110 VanDerWaalsContact C-N 3.33Å; L108-K110 PolarHBondContact O-N 2.74Å
111A87.9Confident71.9Confident22 Ų2284.3 Ų84.318%0.18246%0.461CS..Hα-helixtrans-85.3-25-178.100000114.3L32 T34 L61 A107 L108 N109L32-A111 HydrophobicContact CD1-CB 3.97Å; L32-A111 HydrophobicContact CD2-CB 4.02Å; L32-A111 HydrophobicContact CG-CB 4.32Å; T34-A111 HydrophobicContact CG2-CB 3.76Å; L61-A111 HydrophobicContact CD1-CB 3.83Å; A107-A111 VanDerWaalsContact O-CB 3.27Å; A107-A111 WeakPolarHBondContact O-CB 3.4Å; A107-A111 PolarHBondContact O-N 3.07Å; L108-A111 CarbonylContact O-C 3.56Å; L108-A111 PolarHBondContact O-N 2.96Å; N109-A111 VanDerWaalsContact C-N 3.31Å
112S84.6Confident69.2Low18 Ų1887.7 Ų87.713%0.12649%0.492CS..Hα-helixtrans-91.1-20.5176.773.10000113.6L108 I114L108-S112 WeakPolarHBondContact O-CB 3.45Å; L108-S112 PolarHBondContact O-N 3.25Å; L108-S112 PolarHBondContact O-OG 3.29Å; S112-I114 PolarHBondContact O-N 2.96Å
113K77.8Confident66.9Low146 Ų14687 Ų8764%0.63550%0.504SS*.SBendtrans-60.4119.2166.2-83.6170.1-176.7176.80108N109 T115N109-K113 WeakPolarHBondContact O-CB 3.06Å; N109-K113 WeakPolarHBondContact O-CD 3.48Å; N109-K113 WeakPolarHBondContact O-CG 3.39Å; N109-K113 PolarHBondContact O-N 2.73Å; N109-K113 VanDerWaalsContact O-N 3.09Å; K113-T115 VanDerWaalsContact C-N 3.25Å; K113-T115 PolarHBondContact O-N 3.19Å
114I56.9Low64.3Low148 Ų14890.3 Ų90.376%0.75953%0.528SS*.  trans-62.988.8176.8-56170.9000108.3S112 V116S112-I114 PolarHBondContact O-N 2.96Å; I114-V116 VanDerWaalsContact C-N 3.29Å; I114-V116 PolarHBondContact O-N 3.36Å
115T51Low61.5Low117 Ų117100.1 Ų100.172%0.71857%0.571SS**  trans-66.897.1161.146.20000106.4K113 P117K113-T115 VanDerWaalsContact C-N 3.25Å; K113-T115 PolarHBondContact O-N 3.19Å; T115-P117 WeakPolarHBondContact O-CD 3.27Å; T115-P117 VanDerWaalsContact O-N 3.11Å
116V35.7Very low58.7Low116 Ų116105 Ų10570%0.70361%0.605SS**  trans-45.3120.9164.9178.80000106.5I114 K118I114-V116 VanDerWaalsContact C-N 3.29Å; I114-V116 PolarHBondContact O-N 3.36Å; V116-K118 PolarHBondContact O-N 2.85Å
117P40Very low55.9Low119 Ų119106.9 Ų106.977%0.77362%0.615SS**  trans-57.6107.6175.5-2434.2000107.3T115 S119T115-P117 WeakPolarHBondContact O-CD 3.27Å; T115-P117 VanDerWaalsContact O-N 3.11Å; P117-S119 PolarHBondContact O-N 2.92Å
118K33.7Very low53Low192 Ų192111 Ų11184%0.83565%0.649SS**  trans-67106175.7-169.6154.1-173.9166.10105.1V116 C120V116-K118 PolarHBondContact O-N 2.85Å; K118-C120 VanDerWaalsContact C-N 3.33Å; K118-C120 PolarHBondContact O-N 2.98Å
119S36.4Very low50.1Low110 Ų110116.1 Ų116.177%0.76969%0.685SS**  trans-59.396.5-177.652.90000108.8P117P117-S119 PolarHBondContact O-N 2.92Å
120C29.5Very low47.1Very low115 Ų115118.7 Ų118.778%0.77771%0.711SS**PPolyproline II helixtrans-59.7129.6167.5-69.60000107.5K118 A122K118-C120 VanDerWaalsContact C-N 3.33Å; K118-C120 PolarHBondContact O-N 2.98Å; C120-A122 PolarHBondContact O-N 2.87Å
121P38.3Very low44.3Very low124 Ų124117.3 Ų117.381%0.80572%0.717SS**PPolyproline II helixtrans-55.2135.8168.3-21.532.9000108.8
122A38.6Very low41.9Very low87 Ų87123.6 Ų123.672%0.71975%0.746SS**PPolyproline II helixtrans-58.8144175.600000110C120C120-A122 PolarHBondContact O-N 2.87Å
123P45.7Very low39.3Very low111 Ų111128.1 Ų128.172%0.72178%0.777SS**PPolyproline II helixtrans-60.6139168.627.1-33.4000109.1K125P123-K125 PolarHBondContact O-N 2.8Å
124P39.2Very low37Very low125 Ų125127.9 Ų127.981%0.81278%0.783SS**PPolyproline II helixtrans-63.8125.1179.426.3-33.4000109.7S126P124-S126 PolarHBondContact O-N 3.43Å
125K37.3Very low35.7Very low206 Ų206125.1 Ų125.190%0.89678%0.777SS**  trans-75.9115.6165.4-70.2-176.8177-1790107.7P123P123-K125 PolarHBondContact O-N 2.8Å
126S36.6Very low34.7Very low116 Ų116127.7 Ų127.781%0.81178%0.781SS**  trans-70.7154.4169.327.40000111.6P124P124-S126 PolarHBondContact O-N 3.43Å
127D33.2Very low34.5Very low146 Ų146128.5 Ų128.578%0.78179%0.786SS**  trans-55.5146.6-166.7-71.9-91.3000118
128A33.1Very low34.5Very low105 Ų105126.2 Ų126.287%0.86878%0.784SS**  trans-144.391.7135.700000108.9
129S33Very low34.5Very low108 Ų108128.8 Ų128.876%0.75579%0.789SS**  trans-76.9128.4172.9-77.80000111.3
130A30.5Very low34.7Very low92 Ų92133.5 Ų133.576%0.7680%0.795SS**  trans-158.5107.4156.900000113.6
131V32.2Very low35.3Very low141 Ų141137.7 Ų137.786%0.85580%0.804SS**  trans68.591.1142.9-166.10000119.9
132I36.4Very low35.7Very low153 Ų153138.6 Ų138.679%0.78580%0.797SS**  trans-16.5143.4142-44.9174000117.4
133S31Very low35.9Very low113 Ų113137.7 Ų137.779%0.7979%0.79SS**  trans127.6141.2143.5-55.20000112.5
134D28.1Very low36.3Very low141 Ų141140.3 Ų140.375%0.75479%0.786SS**  cis-162.5157-23.5-171.4-9.6000105.6
135S30Very low37Very low90 Ų90140.5 Ų140.563%0.62977%0.774SS**  trans66.8129.4149.2-78.10000122.4
136Q30.7Very low37.6Very low171 Ų171134.2 Ų134.280%0.79975%0.753SS**  trans95.7116.7145.3-53.8-116-20.800120.8
137V30.7Very low38.4Very low133 Ų133133.6 Ų133.681%0.80674%0.738SS**  39.6108.4127.9-169.10000117.3
138G41.1Very low39.4Very low72 Ų72132.4 Ų132.474%0.74273%0.73SS**  trans-73.1157.7-175.200000116.1
139R32.9Very low40.3Very low245 Ų245133.3 Ų133.393%0.92572%0.719SS**  trans-143.4148.9154.8-93.5176.3-175.5-151.7-0.9109.4
140K39.8Very low40.9Very low210 Ų210132.3 Ų132.391%0.91373%0.726SS**  trans-67.6134.3178-61174.7-179.1177.90109.2
141Q42.8Very low41.8Very low203 Ų203131.2 Ų131.295%0.94972%0.724SS**  trans-71.6127.2170.2-68.8176.5-11.700109
142Q45.8Very low42.1Very low142 Ų142129.1 Ų129.166%0.66471%0.711SS**  trans-108.7126.7178.5-170.3160.1-2.900109.1I158Q142-I158 PolarHBondContact NE2-O 2.73Å
143A42.8Very low42.3Very low69 Ų69125.9 Ų125.957%0.5770%0.698SS**  trans-72.3148179.500000111.1I158A143-I158 HydrophobicContact CB-CD1 4.19Å; A143-I158 WeakPolarHBondContact O-CD1 3.31Å; A143-I158 WeakPolarHBondContact O-CG1 3.33Å
144Y54.7Low43.4Very low165 Ų165124 Ų12465%0.64768%0.681SS**EExtended strand (participates in β ladder)trans-116.7145.9174.354-90000109.4T146Y144-T146 HydrophobicContact CD2-CG2 3.96Å; Y144-T146 HydrophobicContact CE2-CG2 4.19Å
145K55.2Low44.2Very low130 Ų130123 Ų12357%0.56567%0.672SS**EExtended strand (participates in β ladder)trans-109.4130.4169.1-173.4-168.9174.3-142.20107.7E147 I158K145-E147 IonicContact NZ-OE2 2.79Å; K145-E147 PolarHBondContact NZ-OE2 3.47Å; K145-I158 HydrophobicContact CB-CD1 4.35Å; K145-I158 HydrophobicContact CB-CG1 4.45Å
146T49.5Very low45.1Very low73 Ų73123 Ų12345%0.44867%0.668SS.*EExtended strand (participates in β ladder)trans-96.3138.5175.359.40000109.8Y144 H155Y144-T146 HydrophobicContact CD2-CG2 3.96Å; Y144-T146 HydrophobicContact CE2-CG2 4.19Å; T146-H155 WeakPolarHBondContact CG2-CD2 3.43Å; T146-H155 WeakPolarHBondContact CG2-NE2 3.24Å
147E53.1Low45.8Very low104 Ų104119.4 Ų119.449%0.48666%0.66SS.*EExtended strand (participates in β ladder)trans-139.4145.8174.6-161.1155159.100109.4K145 I149 V154K145-E147 IonicContact NZ-OE2 2.79Å; K145-E147 PolarHBondContact NZ-OE2 3.47Å; E147-I149 HydrophobicContact CG-CG1 4.47Å; E147-V154 PolarHBondContact N-O 3.14Å; E147-V154 PolarHBondContact O-N 3.04Å; E147-V154 VanDerWaalsContact O-N 3.11Å
148I54.1Low46.6Very low121 Ų121116.1 Ų116.162%0.62164%0.637SS**EExtended strand (participates in β ladder)trans-114105.1-174.2-53.8-179.2000107.9V153I148-V153 HydrophobicContact CD1-CG2 4.46Å; I148-V153 HydrophobicContact CG1-CG2 4.28Å
149I50.8Low46.7Very low123 Ų123120.1 Ų120.163%0.63164%0.636SS**EExtended strand (participates in β ladder)trans-115.8123.3178.2-57.1175.1000107.4E147 G151 V152E147-I149 HydrophobicContact CG-CG1 4.47Å; I149-G151 PolarHBondContact O-N 3.49Å; I149-G151 VanDerWaalsContact O-N 3.15Å; I149-V152 PolarHBondContact N-O 2.85Å; I149-V152 PolarHBondContact O-N 2.85Å
150G46.1Very low47.3Very low88 Ų88115.5 Ų115.591%0.90763%0.63SS**THydrogen-bonded Turntrans6417.6177.400000115.8
151G49.2Very low47Very low69 Ų69112.5 Ų112.571%0.71162%0.619SS**THydrogen-bonded Turntrans90.14.3179.500000115.5I149I149-G151 PolarHBondContact O-N 3.49Å; I149-G151 VanDerWaalsContact O-N 3.15Å
152V40Very low46.4Very low97 Ų97109.3 Ų109.359%0.58861%0.614SS**EExtended strand (participates in β ladder)trans-108.5134.2172.7-178.50000109.6I149I149-V152 PolarHBondContact N-O 2.85Å; I149-V152 PolarHBondContact O-N 2.85Å
153V39.8Very low45.8Very low84 Ų84111.1 Ų111.151%0.50962%0.622SS.*EExtended strand (participates in β ladder)trans-81.8118.8175.6-176.40000108.8I148I148-V153 HydrophobicContact CD1-CG2 4.46Å; I148-V153 HydrophobicContact CG1-CG2 4.28Å
154V53.8Low45.4Very low73 Ų73116.3 Ų116.344%0.44264%0.635SS.*EExtended strand (participates in β ladder)trans-110.6130.3176.8-177.60000109.5E147E147-V154 PolarHBondContact N-O 3.14Å; E147-V154 PolarHBondContact O-N 3.04Å; E147-V154 VanDerWaalsContact O-N 3.11Å
155H45.2Very low44.2Very low122 Ų122114.9 Ų114.957%0.56564%0.643SS**EExtended strand (participates in β ladder)trans-10498.7175.6-67-174.2000109T146T146-H155 WeakPolarHBondContact CG2-CD2 3.43Å; T146-H155 WeakPolarHBondContact CG2-NE2 3.24Å
156T48.7Very low43.2Very low88 Ų88116.2 Ų116.254%0.5465%0.652SS.*EExtended strand (participates in β ladder)trans-93.1128.1176.6-49.20000109.4I158T156-I158 PolarHBondContact O-N 3.14Å
157P45.5Very low42.3Very low96 Ų96116 Ų11662%0.62366%0.663SS**EExtended strand (participates in β ladder)trans-66134.5174.627.8-33.7000109.8Q159P157-Q159 PolarHBondContact O-N 3.14Å
158I47.3Very low41.5Very low64 Ų64119.1 Ų119.133%0.32868%0.675SS.*  trans-72.8101.5178.7-55.3175.7000108.5Q142 A143 K145 T156 N160Q142-I158 PolarHBondContact NE2-O 2.73Å; A143-I158 HydrophobicContact CB-CD1 4.19Å; A143-I158 WeakPolarHBondContact O-CD1 3.31Å; A143-I158 WeakPolarHBondContact O-CG1 3.33Å; K145-I158 HydrophobicContact CB-CD1 4.35Å; K145-I158 HydrophobicContact CB-CG1 4.45Å; T156-I158 PolarHBondContact O-N 3.14Å; I158-N160 VanDerWaalsContact CG2-OD1 3.26Å; I158-N160 WeakPolarHBondContact CG2-OD1 3.39Å
159Q43.3Very low40.7Very low157 Ų157119.4 Ų119.473%0.73467%0.674SS**  trans-86106.6166-175.3163.7-4.300107.7P157 E161P157-Q159 PolarHBondContact O-N 3.14Å; Q159-E161 PolarHBondContact O-N 3.13Å
160N46.5Very low40.1Very low148 Ų148122.8 Ų122.879%0.79168%0.684SS**  trans-73.886.8179.8-78.5-0.2000110.7I158I158-N160 VanDerWaalsContact CG2-OD1 3.26Å; I158-N160 WeakPolarHBondContact CG2-OD1 3.39Å
161E33.3Very low39.9Very low147 Ų147128 Ų12869%0.68768%0.682SS**  trans-132.7134160.8-66.8-169.216500109.5Q159Q159-E161 PolarHBondContact O-N 3.13Å
162T30.5Very low39.6Very low135 Ų135126.1 Ų126.183%0.82866%0.663SS**  trans74133.9174.2-300000113.7
163E32.6Very low39.8Very low180 Ų180129.6 Ų129.684%0.84168%0.678SS**  cis-109.311719.3-70.5172.4130.700114.6T165E163-T165 PolarHBondContact O-N 3.14Å
164E33.4Very low40.9Very low178 Ų178128.8 Ų128.883%0.83267%0.666SS**  trans-66.5112.9148.2-62.9-179.7122.500107.6E166E164-E166 PolarHBondContact O-N 3.01Å; E164-E166 VanDerWaalsContact O-N 3.15Å
165T30.9Very low41.6Very low136 Ų136131.7 Ų131.783%0.83469%0.686SS**  trans-70.5110.1161.3-55.40000106.8E163 G167E163-T165 PolarHBondContact O-N 3.14Å; T165-G167 PolarHBondContact O-N 3.3Å
166E34Very low43.3Very low158 Ų158128.1 Ų128.174%0.73868%0.683SS**  trans-61.980.2-178.5-77.5-163104.300112.7E164 K168E164-E166 PolarHBondContact O-N 3.01Å; E164-E166 VanDerWaalsContact O-N 3.15Å; E166-K168 PolarHBondContact O-N 2.91Å
167G30.3Very low45.3Very low67 Ų67125.9 Ų125.969%0.69167%0.669SS**  trans-81.238.7152.800000111.1T165 E169T165-G167 PolarHBondContact O-N 3.3Å; G167-E169 PolarHBondContact O-N 2.86Å
168K36.7Very low47.5Very low170 Ų170124.8 Ų124.874%0.73966%0.657SS**  trans-71.373.5168.6-171.6177.2-175.2173.10107.4E166 K170E166-K168 PolarHBondContact O-N 2.91Å; K168-K170 PolarHBondContact O-N 2.87Å
169E36.3Very low49.7Very low127 Ų127124.5 Ų124.559%0.59365%0.652SS**  trans-49.5113.8168.2-77-155.313800106.3G167 K171G167-E169 PolarHBondContact O-N 2.86Å; E169-K171 PolarHBondContact O-N 3.02Å
170K38Very low52.2Low194 Ų194118.7 Ų118.784%0.84363%0.628SS**  trans-50.7114.8175.3-67169.4-179.8171.60105.3K168 G172K168-K170 PolarHBondContact O-N 2.87Å; K170-G172 PolarHBondContact O-N 2.94Å
171K43.3Very low54.4Low198 Ų198112 Ų11286%0.86160%0.595SS**  trans-43.5110.1168.5-87.6-172.6173.5-1760105.7E169 N173E169-K171 PolarHBondContact O-N 3.02Å; K171-N173 PolarHBondContact O-N 2.94Å; K171-N173 VanDerWaalsContact O-N 3.16Å
172G42.8Very low57.4Low30 Ų30107.5 Ų107.531%0.30957%0.573SS.*  trans-52.3128.9-170.100000107.4K170 R174K170-G172 PolarHBondContact O-N 2.94Å; G172-R174 PolarHBondContact O-N 2.94Å
173N44.7Very low60.5Low169 Ų169101.1 Ų101.190%0.90453%0.534SS*.SBendtrans-73.648.5-160.9-164.530.3000113.2K171K171-N173 PolarHBondContact O-N 2.94Å; K171-N173 VanDerWaalsContact O-N 3.16Å
174R61.6Low63.5Low67 Ų6793.5 Ų93.525%0.25350%0.5SS..  trans-116.2106-176.4-59.2-174.4-165-142.42.2106.7G172 G176 V177 Y208 D211 D213G172-R174 PolarHBondContact O-N 2.94Å; R174-G176 PolarHBondContact O-N 3.28Å; R174-V177 HydrophobicContact CB-CG2 3.7Å; R174-V177 PolarHBondContact O-N 2.94Å; R174-Y208 PolarHBondContact NH1-OH 3.36Å; R174-D211 PolarHBondContact NH2-O 2.84Å; R174-D213 PolarHBondContact NH1-O 3.1Å; R174-D213 PolarHBondContact NH2-O 2.84Å
175P68.6Low66.4Low134 Ų13485.7 Ų85.787%0.8746%0.463SS*.THydrogen-bonded Turntrans-53.1137.6173.3-25.134.4000110.8
176G80.9Confident69.3Low48 Ų4879.9 Ų79.950%0.49543%0.426SS..THydrogen-bonded Turntrans87.30.2177.200000116.7R174 D201R174-G176 PolarHBondContact O-N 3.28Å; G176-D201 WeakPolarHBondContact O-CA 3.49Å; G176-D201 WeakPolarHBondContact O-CB 3.12Å
177V90.4Very high71.6Confident41 Ų4173 Ų7325%0.24840%0.398CS..  trans-82.7117.4173177.90000110.6R174 R179 C180 T199 L200R174-V177 HydrophobicContact CB-CG2 3.7Å; R174-V177 PolarHBondContact O-N 2.94Å; V177-R179 VanDerWaalsContact CG1-O 3.29Å; V177-R179 WeakPolarHBondContact CG1-O 3.26Å; V177-C180 HydrophobicContact CG1-CB 4.04Å; V177-T199 HydrophobicContact CG1-CG2 4.25Å; V177-L200 CarbonylContact C-O 3.5Å
178L92.1Very high73.9Confident73 Ų7374.1 Ų74.138%0.38239%0.388SS..SBendtrans-77.8-46.7178.2176.363.1000112L200 D270 M273 K274L178-L200 HydrophobicContact CB-CG 4.43Å; L178-L200 HydrophobicContact CD2-CD2 3.95Å; L178-L200 HydrophobicContact CD2-CG 4.49Å; L178-L200 PolarHBondContact N-O 2.75Å; L178-D270 HydrophobicContact CD2-CB 3.89Å; L178-M273 HydrophobicContact CD2-CE 3.66Å; L178-K274 HydrophobicContact CD2-CD 4.33Å; L178-K274 HydrophobicContact CD2-CG 3.8Å
179R94Very high75.8Confident57 Ų5772.1 Ų72.122%0.21539%0.39CS..EExtended strand (participates in β ladder)trans-136142.8171.9-178.9170.4-65.8108.14.5110.6V177 T199 L200 G266 W267 D270V177-R179 VanDerWaalsContact CG1-O 3.29Å; V177-R179 WeakPolarHBondContact CG1-O 3.26Å; R179-T199 CarbonylContact O-C 3.48Å; R179-T199 WeakPolarHBondContact O-CA 3.48Å; R179-L200 PolarHBondContact N-O 3.02Å; R179-L200 PolarHBondContact O-N 2.98Å; R179-G266 PolarHBondContact NH1-O 3.11Å; R179-W267 HydrophobicContact CB-CH2 4.3Å; R179-W267 HydrophobicContact CB-CZ3 4.29Å; R179-W267 HydrophobicContact CG-CD2 4.32Å; R179-W267 HydrophobicContact CG-CE3 4.41Å; R179-W267 HydrophobicContact CG-CH2 3.87Å; R179-W267 HydrophobicContact CG-CZ2 3.76Å; R179-W267 HydrophobicContact CG-CZ3 4.2Å; R179-D270 VanDerWaalsContact CZ-CG 3.41Å; R179-D270 IonicContact CZ-OD1 2.88Å; R179-D270 VanDerWaalsContact CZ-OD1 3.3Å; R179-D270 IonicContact CZ-OD2 2.7Å; R179-D270 VanDerWaalsContact NH1-CB 3.27Å; R179-D270 IonicContact NH1-OD1 3.32Å; R179-D270 PolarHBondContact NH1-OD1 3.27Å; R179-D270 IonicContact NH1-OD2 2.64Å; R179-D270 PolarHBondContact NH1-OD2 3.26Å; R179-D270 IonicContact NH2-OD1 2.88Å; R179-D270 PolarHBondContact NH2-OD1 3.42Å; R179-D270 IonicContact NH2-OD2 3.95Å; R179-D270 PolarHBondContact NH2-OD2 3.45Å
180C95.5Very high77.5Confident35 Ų3577.1 Ų77.124%0.23640%0.403CS..EExtended strand (participates in β ladder)trans-132.9165.2163.460.30000110.9V177 F197 F198 T199V177-C180 HydrophobicContact CG1-CB 4.04Å; C180-F197 HydrophobicContact CB-CE1 3.99Å; C180-F197 HydrophobicContact CB-CE2 4.14Å; C180-F197 HydrophobicContact CB-CZ 3.48Å; C180-F197 VanDerWaalsContact CB-CZ 3.48Å; C180-F198 WeakPolarHBondContact CA-O 3.26Å; C180-F198 WeakPolarHBondContact CB-O 3.4Å; C180-T199 HydrophobicContact CB-CG2 4.05Å
181G93.1Very high79.7Confident9 Ų972.4 Ų72.49%0.09338%0.383CS..EExtended strand (participates in β ladder)trans163.3165.9176.500000112.1F198G181-F198 PolarHBondContact N-O 2.84Å; G181-F198 VanDerWaalsContact N-O 3.11Å; G181-F198 PolarHBondContact O-N 3.5Å
182F95.2Very high81.6Confident51 Ų5165.4 Ų65.422%0.22436%0.358CS..EExtended strand (participates in β ladder)trans-86.4130.3174.7-75.6-83.4000111.6R195 R196 F197 D211F182-R195 HydrophobicContact CB-CG 4.27Å; F182-R195 HydrophobicContact CD1-CG 4.21Å; F182-R196 WeakPolarHBondContact CA-O 3.32Å; F182-F197 HydrophobicContact CD1-CB 4.04Å; F182-F197 HydrophobicContact CD1-CD2 4.32Å; F182-F197 AromaticContact CD2-CD2 3.96Å; F182-F197 HydrophobicContact CD2-CD2 3.96Å; F182-F197 HydrophobicContact CE1-CB 3.76Å; F182-F197 HydrophobicContact CE1-CD2 4.19Å; F182-F197 HydrophobicContact CE1-CG 4.46Å; F182-F197 AromaticContact CE2-CD2 3.81Å; F182-F197 HydrophobicContact CE2-CD2 3.81Å; F182-F197 HydrophobicContact CE2-CE2 4.39Å; F182-F197 HydrophobicContact CG-CD2 4.21Å; F182-F197 HydrophobicContact CZ-CB 4.2Å; F182-F197 AromaticContact CZ-CD2 3.93Å; F182-F197 HydrophobicContact CZ-CD2 3.93Å; F182-F197 HydrophobicContact CZ-CG 4.47Å; F182-D211 HydrophobicContact CE2-CB 4.48Å; F182-D211 HydrophobicContact CZ-CB 4.13Å
183C96.1Very high83.8Confident1 Ų166.1 Ų66.11%0.00735%0.352CS..EExtended strand (participates in β ladder)trans-132.3158.2174.7-44.90000110.6R195 R196 F198 I256 Q257C183-R195 CarbonylContact O-C 3.52Å; C183-R195 WeakPolarHBondContact O-CA 3.4Å; C183-R196 PolarHBondContact N-O 3.49Å; C183-R196 PolarHBondContact O-N 3.4Å; C183-R196 VanDerWaalsContact O-O 3.1Å; C183-F198 HydrophobicContact CB-CD2 3.63Å; C183-F198 HydrophobicContact CB-CE2 3.76Å; C183-F198 HydrophobicContact CB-CG 4.49Å; C183-I256 HydrophobicContact CB-CG2 3.32Å; C183-Q257 CarbonylContact C-O 3.57Å; C183-Q257 WeakPolarHBondContact CA-O 3.38Å; C183-Q257 WeakPolarHBondContact CB-O 3.48Å
184V95.4Very high85.9Confident21 Ų2163.3 Ų63.313%0.12733%0.332CS..EExtended strand (participates in β ladder)trans-102.8113.4179-173.90000109.8W193 R195 Q257V184-W193 HydrophobicContact CG1-CB 3.86Å; V184-W193 HydrophobicContact CG1-CE3 4.22Å; V184-R195 HydrophobicContact CG2-CB 4.26Å; V184-R195 HydrophobicContact CG2-CG 4.32Å; V184-Q257 HydrophobicContact CB-CB 4.36Å; V184-Q257 PolarHBondContact N-O 2.8Å; V184-Q257 PolarHBondContact O-N 2.95Å
185K94.4Very high87.5Confident13 Ų1365.6 Ų65.66%0.05734%0.34CS..EExtended strand (participates in β ladder)trans-117139.4-17159.9145.5-52.9-48.70114.8K194 R196 F198 Y207 Y255 I256K185-K194 PolarHBondContact N-O 3.12Å; K185-K194 PolarHBondContact O-N 2.84Å; K185-R196 HydrophobicContact CD-CB 4.42Å; K185-R196 HydrophobicContact CD-CG 4.07Å; K185-R196 HydrophobicContact CG-CB 4.18Å; K185-R196 HydrophobicContact CG-CG 3.93Å; K185-F198 HydrophobicContact CB-CE2 4.03Å; K185-F198 HydrophobicContact CB-CZ 3.74Å; K185-F198 HydrophobicContact CD-CE2 4.15Å; K185-F198 HydrophobicContact CD-CZ 3.7Å; K185-F198 HydrophobicContact CG-CE2 3.87Å; K185-F198 HydrophobicContact CG-CZ 3.77Å; K185-Y207 HydrophobicContact CD-CD1 4.04Å; K185-Y207 HydrophobicContact CD-CD2 3.87Å; K185-Y207 HydrophobicContact CD-CE1 3.99Å; K185-Y207 HydrophobicContact CD-CE2 3.86Å; K185-Y207 HydrophobicContact CD-CG 3.99Å; K185-Y255 WeakPolarHBondContact CA-O 3.36Å; K185-I256 HydrophobicContact CB-CG1 4.14Å
186Q91.3Very high88.9Confident15 Ų1561.9 Ų61.97%0.0731%0.309CS..EExtended strand (participates in β ladder)trans-70.1135.7-177.8-155.9-167.651.500113.3K191 W193 Y255Q186-K191 HydrophobicContact CG-CB 4.27Å; Q186-K191 HydrophobicContact CG-CD 4.45Å; Q186-K191 WeakPolarHBondContact CG-O 3.17Å; Q186-W193 HydrophobicContact CB-CD2 4.32Å; Q186-W193 HydrophobicContact CB-CE3 4.07Å; Q186-W193 HydrophobicContact CB-CH2 3.97Å; Q186-W193 HydrophobicContact CB-CZ2 4.22Å; Q186-W193 HydrophobicContact CB-CZ3 3.89Å; Q186-W193 HydrophobicContact CG-CD2 4.35Å; Q186-W193 HydrophobicContact CG-CH2 4.34Å; Q186-W193 HydrophobicContact CG-CZ2 4.07Å; Q186-Y255 PolarHBondContact N-O 3.14Å
187G82.6Confident89.6Confident14 Ų1460.1 Ų60.114%0.14429%0.288CS..  trans-65.7154.9174.700000112.7K191 S192G187-K191 WeakPolarHBondContact O-CD 3.24Å; G187-S192 WeakPolarHBondContact CA-O 3.49Å; G187-S192 PolarHBondContact N-O 3.41Å
188N80Confident90Very high89 Ų8958.4 Ų58.448%0.47628%0.277SS..SBendtrans-73.3-57.2-177.6-161.533.7000112.1K191 R252N188-K191 WeakPolarHBondContact O-CD 3.43Å; N188-K191 WeakPolarHBondContact O-CE 3.39Å; N188-K191 PolarHBondContact O-NZ 2.79Å; N188-R252 PolarHBondContact OD1-NE 2.77Å
189V75.1Confident90.2Very high128 Ų12855 Ų5578%0.77626%0.259SS*.SBendtrans-84.2-72.7-173.3-177.10000110.7K191V189-K191 PolarHBondContact O-N 2.7Å
190R73.3Confident90.3Very high233 Ų23352.3 Ų52.388%0.87925%0.249SC*.SBendtrans-76.811.2-175.8-59.6-172.4-178.2-177.20.7114.9S192R190-S192 PolarHBondContact O-N 3.13Å
191K83.3Confident90.3Very high95 Ų9552.4 Ų52.441%0.41325%0.247SC..  trans46.69.1-177.4-57.7-50.5-169.2-174.40118.3Q186 G187 N188 V189 W193Q186-K191 HydrophobicContact CG-CB 4.27Å; Q186-K191 HydrophobicContact CG-CD 4.45Å; Q186-K191 WeakPolarHBondContact CG-O 3.17Å; G187-K191 WeakPolarHBondContact O-CD 3.24Å; N188-K191 WeakPolarHBondContact O-CD 3.43Å; N188-K191 WeakPolarHBondContact O-CE 3.39Å; N188-K191 PolarHBondContact O-NZ 2.79Å; V189-K191 PolarHBondContact O-N 2.7Å; K191-W193 PolarHBondContact O-N 2.91Å
192S83.5Confident90.3Very high50 Ų5056 Ų5635%0.3527%0.265SS..  trans-57.9133179.565.30000113.2G187 R190G187-S192 WeakPolarHBondContact CA-O 3.49Å; G187-S192 PolarHBondContact N-O 3.41Å; R190-S192 PolarHBondContact O-N 3.13Å
193W89.2Confident90.2Very high46 Ų4659.6 Ų59.617%0.17429%0.286CS..EExtended strand (participates in β ladder)trans-76.7136.1172.2-63.695.8000111.5V184 Q186 K191 L238 R241 L244V184-W193 HydrophobicContact CG1-CB 3.86Å; V184-W193 HydrophobicContact CG1-CE3 4.22Å; Q186-W193 HydrophobicContact CB-CD2 4.32Å; Q186-W193 HydrophobicContact CB-CE3 4.07Å; Q186-W193 HydrophobicContact CB-CH2 3.97Å; Q186-W193 HydrophobicContact CB-CZ2 4.22Å; Q186-W193 HydrophobicContact CB-CZ3 3.89Å; Q186-W193 HydrophobicContact CG-CD2 4.35Å; Q186-W193 HydrophobicContact CG-CH2 4.34Å; Q186-W193 HydrophobicContact CG-CZ2 4.07Å; K191-W193 PolarHBondContact O-N 2.91Å; W193-L238 HydrophobicContact CH2-CD2 3.54Å; W193-L238 HydrophobicContact CZ2-CD2 3.51Å; W193-L238 HydrophobicContact CZ2-CG 4.42Å; W193-R241 HydrophobicContact CH2-CG 4.27Å; W193-R241 HydrophobicContact CZ2-CG 3.94Å; W193-L244 HydrophobicContact CH2-CD1 3.59Å; W193-L244 HydrophobicContact CZ3-CD1 3.83Å
194K89.4Confident90.2Very high110 Ų11060.1 Ų60.148%0.47829%0.291SS..EExtended strand (participates in β ladder)trans-142129.8178.6-62.4-169.4178.1-169.60110.8K185K185-K194 PolarHBondContact N-O 3.12Å; K185-K194 PolarHBondContact O-N 2.84Å
195R95.1Very high90.3Very high115 Ų11559.1 Ų59.143%0.43429%0.285SS..EExtended strand (participates in β ladder)trans-65.7133.1170.1-162.2169.1-177.592.6-2.6109.3F182 C183 V184 D259F182-R195 HydrophobicContact CB-CG 4.27Å; F182-R195 HydrophobicContact CD1-CG 4.21Å; C183-R195 CarbonylContact O-C 3.52Å; C183-R195 WeakPolarHBondContact O-CA 3.4Å; V184-R195 HydrophobicContact CG2-CB 4.26Å; V184-R195 HydrophobicContact CG2-CG 4.32Å; R195-D259 IonicContact CZ-OD1 2.84Å; R195-D259 IonicContact CZ-OD2 2.77Å; R195-D259 VanDerWaalsContact CZ-OD2 3.26Å; R195-D259 VanDerWaalsContact NH1-CG 3.32Å; R195-D259 IonicContact NH1-OD1 3.26Å; R195-D259 PolarHBondContact NH1-OD1 3.05Å; R195-D259 IonicContact NH1-OD2 2.75Å; R195-D259 PolarHBondContact NH1-OD2 3.48Å; R195-D259 IonicContact NH2-OD2 3.28Å; R195-D259 PolarHBondContact NH2-OD2 2.8Å
196R96.9Very high90.4Very high55 Ų5559 Ų5921%0.20829%0.285CS..EExtended strand (participates in β ladder)trans-146.6145.2-177.1-70.5-67.2175.4-109.121.8108.4F182 C183 K185 F198 Y207 Y208F182-R196 WeakPolarHBondContact CA-O 3.32Å; C183-R196 PolarHBondContact N-O 3.49Å; C183-R196 PolarHBondContact O-N 3.4Å; C183-R196 VanDerWaalsContact O-O 3.1Å; K185-R196 HydrophobicContact CD-CB 4.42Å; K185-R196 HydrophobicContact CD-CG 4.07Å; K185-R196 HydrophobicContact CG-CB 4.18Å; K185-R196 HydrophobicContact CG-CG 3.93Å; R196-F198 HydrophobicContact CB-CD2 4.36Å; R196-F198 HydrophobicContact CB-CE2 4.02Å; R196-F198 WeakPolarHBondContact O-CD2 3.29Å; R196-Y207 HydrophobicContact CB-CD2 4.43Å; R196-Y207 HydrophobicContact CG-CD2 4.27Å; R196-Y208 WeakPolarHBondContact CB-O 3.46Å; R196-Y208 WeakPolarHBondContact CD-O 3.28Å
197F95.9Very high90.7Very high12 Ų1259.3 Ų59.35%0.05329%0.286CS..EExtended strand (participates in β ladder)trans-79.3129.1171.1-172.9-106.9000108.5C180 F182 T199 Y207 Y208 D211C180-F197 HydrophobicContact CB-CE1 3.99Å; C180-F197 HydrophobicContact CB-CE2 4.14Å; C180-F197 HydrophobicContact CB-CZ 3.48Å; C180-F197 VanDerWaalsContact CB-CZ 3.48Å; F182-F197 HydrophobicContact CD1-CB 4.04Å; F182-F197 HydrophobicContact CD1-CD2 4.32Å; F182-F197 AromaticContact CD2-CD2 3.96Å; F182-F197 HydrophobicContact CD2-CD2 3.96Å; F182-F197 HydrophobicContact CE1-CB 3.76Å; F182-F197 HydrophobicContact CE1-CD2 4.19Å; F182-F197 HydrophobicContact CE1-CG 4.46Å; F182-F197 AromaticContact CE2-CD2 3.81Å; F182-F197 HydrophobicContact CE2-CD2 3.81Å; F182-F197 HydrophobicContact CE2-CE2 4.39Å; F182-F197 HydrophobicContact CG-CD2 4.21Å; F182-F197 HydrophobicContact CZ-CB 4.2Å; F182-F197 AromaticContact CZ-CD2 3.93Å; F182-F197 HydrophobicContact CZ-CD2 3.93Å; F182-F197 HydrophobicContact CZ-CG 4.47Å; F197-T199 HydrophobicContact CD1-CG2 4.07Å; F197-T199 HydrophobicContact CE1-CG2 3.63Å; F197-Y207 CarbonylContact O-C 3.59Å; F197-Y207 WeakPolarHBondContact O-CA 3.4Å; F197-Y208 HydrophobicContact CD1-CD2 4.14Å; F197-Y208 PolarHBondContact N-O 2.91Å; F197-Y208 PolarHBondContact O-N 3.4Å; F197-D211 HydrophobicContact CB-CB 4.4Å; F197-D211 HydrophobicContact CD1-CB 3.96Å; F197-D211 HydrophobicContact CD2-CB 3.66Å; F197-D211 HydrophobicContact CE1-CB 3.98Å; F197-D211 HydrophobicContact CE2-CB 3.7Å; F197-D211 HydrophobicContact CG-CB 3.76Å; F197-D211 HydrophobicContact CZ-CB 3.83Å
198F97.7Very high91.3Very high4 Ų459.4 Ų59.42%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-108.5148.5177.2-81.5-102.2000110.4C180 G181 C183 K185 R196 V205 S206 Y207 I256 W267C180-F198 WeakPolarHBondContact CA-O 3.26Å; C180-F198 WeakPolarHBondContact CB-O 3.4Å; G181-F198 PolarHBondContact N-O 2.84Å; G181-F198 VanDerWaalsContact N-O 3.11Å; G181-F198 PolarHBondContact O-N 3.5Å; C183-F198 HydrophobicContact CB-CD2 3.63Å; C183-F198 HydrophobicContact CB-CE2 3.76Å; C183-F198 HydrophobicContact CB-CG 4.49Å; K185-F198 HydrophobicContact CB-CE2 4.03Å; K185-F198 HydrophobicContact CB-CZ 3.74Å; K185-F198 HydrophobicContact CD-CE2 4.15Å; K185-F198 HydrophobicContact CD-CZ 3.7Å; K185-F198 HydrophobicContact CG-CE2 3.87Å; K185-F198 HydrophobicContact CG-CZ 3.77Å; R196-F198 HydrophobicContact CB-CD2 4.36Å; R196-F198 HydrophobicContact CB-CE2 4.02Å; R196-F198 WeakPolarHBondContact O-CD2 3.29Å; F198-V205 HydrophobicContact CD1-CG1 4Å; F198-V205 HydrophobicContact CE1-CG1 4.46Å; F198-S206 CarbonylContact C-O 3.56Å; F198-S206 WeakPolarHBondContact CA-O 3.28Å; F198-Y207 AromaticContact CE1-CD1 3.95Å; F198-Y207 HydrophobicContact CE1-CD1 3.95Å; F198-Y207 HydrophobicContact CE1-CG 4.2Å; F198-Y207 HydrophobicContact CZ-CD1 4.21Å; F198-Y207 HydrophobicContact CZ-CG 4.23Å; F198-I256 HydrophobicContact CE1-CG1 4.08Å; F198-I256 HydrophobicContact CE2-CG2 4.21Å; F198-I256 HydrophobicContact CZ-CG1 3.79Å; F198-I256 HydrophobicContact CZ-CG2 4.12Å; F198-W267 HydrophobicContact CB-CH2 3.57Å; F198-W267 HydrophobicContact CB-CZ2 3.84Å; F198-W267 HydrophobicContact CB-CZ3 4.28Å
199T97.1Very high91.8Very high2 Ų261.9 Ų61.91%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-132.2144.7166.964.90000109.8V177 R179 C180 F197 V205 S206 Y208V177-T199 HydrophobicContact CG1-CG2 4.25Å; R179-T199 CarbonylContact O-C 3.48Å; R179-T199 WeakPolarHBondContact O-CA 3.48Å; C180-T199 HydrophobicContact CB-CG2 4.05Å; F197-T199 HydrophobicContact CD1-CG2 4.07Å; F197-T199 HydrophobicContact CE1-CG2 3.63Å; T199-V205 CarbonylContact O-C 3.51Å; T199-V205 WeakPolarHBondContact O-CA 3.48Å; T199-S206 PolarHBondContact N-O 2.75Å; T199-S206 PolarHBondContact O-N 3.04Å; T199-Y208 HydrophobicContact CG2-CD2 4.38Å; T199-Y208 HydrophobicContact CG2-CE2 3.82Å; T199-Y208 WeakPolarHBondContact OG1-CE2 3.48Å
200L97.3Very high92.3Very high0 Ų057.2 Ų57.20%026%0.261CS..EExtended strand (participates in β ladder)trans-114.9123.7165.2167.465.3000107.5V177 L178 R179 V205 L222 W267 D270 I271 K274V177-L200 CarbonylContact C-O 3.5Å; L178-L200 HydrophobicContact CB-CG 4.43Å; L178-L200 HydrophobicContact CD2-CD2 3.95Å; L178-L200 HydrophobicContact CD2-CG 4.49Å; L178-L200 PolarHBondContact N-O 2.75Å; R179-L200 PolarHBondContact N-O 3.02Å; R179-L200 PolarHBondContact O-N 2.98Å; L200-V205 HydrophobicContact CD1-CG2 3.85Å; L200-L222 HydrophobicContact CD1-CD2 3.96Å; L200-W267 HydrophobicContact CB-CZ3 3.86Å; L200-D270 HydrophobicContact CD2-CB 3.54Å; L200-I271 HydrophobicContact CD1-CG1 4.33Å; L200-I271 HydrophobicContact CD2-CG1 3.98Å; L200-K274 HydrophobicContact CD1-CG 4.49Å
201D94.4Very high93.2Very high38 Ų3849.8 Ų49.820%0.20324%0.239CC..  trans-117.7-172171.258.256.5000110.3G176 N203 A204G176-D201 WeakPolarHBondContact O-CA 3.49Å; G176-D201 WeakPolarHBondContact O-CB 3.12Å; D201-N203 PolarHBondContact O-N 2.84Å; D201-N203 WeakPolarHBondContact OD1-CA 3.5Å; D201-N203 PolarHBondContact OD1-N 2.96Å; D201-A204 PolarHBondContact N-O 3.29Å; D201-A204 VanDerWaalsContact N-O 3.13Å; D201-A204 PolarHBondContact OD1-N 2.83Å
202D92.9Very high93.4Very high85 Ų8550.3 Ų50.346%0.45525%0.25SS..SBendtrans-67.8-13-179.3-66.8-39000114.4L222 K274D202-L222 WeakPolarHBondContact O-CD1 3.39Å; D202-K274 VanDerWaalsContact OD1-CE 3.23Å; D202-K274 WeakPolarHBondContact OD1-CE 3.47Å; D202-K274 IonicContact OD1-NZ 3.4Å; D202-K274 PolarHBondContact OD1-NZ 3.05Å
203N93.4Very high93.6Very high125 Ų12550.4 Ų50.467%0.66825%0.247SC*.SBendtrans-119.7-32.9-170.2-71.137000113.3D201 P221 L222D201-N203 PolarHBondContact O-N 2.84Å; D201-N203 WeakPolarHBondContact OD1-CA 3.5Å; D201-N203 PolarHBondContact OD1-N 2.96Å; N203-P221 WeakPolarHBondContact O-CA 3.4Å; N203-L222 WeakPolarHBondContact O-CG 3.35Å; N203-L222 PolarHBondContact O-N 3.21Å
204A96Very high93.6Very high13 Ų1356.8 Ų56.811%0.10728%0.276CS..EExtended strand (participates in β ladder)trans-153.6159.3-171.500000114.8D201 I220D201-A204 PolarHBondContact N-O 3.29Å; D201-A204 VanDerWaalsContact N-O 3.13Å; D201-A204 PolarHBondContact OD1-N 2.83Å; A204-I220 CarbonylContact C-O 3.57Å; A204-I220 VanDerWaalsContact CA-O 3.27Å; A204-I220 WeakPolarHBondContact CA-O 3.46Å; A204-I220 WeakPolarHBondContact CB-O 3.19Å
205V97.4Very high93.7Very high0 Ų058.9 Ų58.90%029%0.287CS..EExtended strand (participates in β ladder)trans-95.5112.5158.6178.40000108.2F198 T199 L200 I220 L222 I225 I247 I271F198-V205 HydrophobicContact CD1-CG1 4Å; F198-V205 HydrophobicContact CE1-CG1 4.46Å; T199-V205 CarbonylContact O-C 3.51Å; T199-V205 WeakPolarHBondContact O-CA 3.48Å; L200-V205 HydrophobicContact CD1-CG2 3.85Å; V205-I220 HydrophobicContact CB-CB 4.41Å; V205-I220 PolarHBondContact N-O 2.95Å; V205-I220 WeakPolarHBondContact O-CB 3.47Å; V205-I220 PolarHBondContact O-N 3.11Å; V205-L222 HydrophobicContact CG2-CD2 4.26Å; V205-I225 HydrophobicContact CG2-CD1 4.28Å; V205-I247 HydrophobicContact CG1-CD1 4.14Å; V205-I247 HydrophobicContact CG2-CD1 4.5Å; V205-I271 HydrophobicContact CG2-CD1 3.83Å; V205-I271 HydrophobicContact CG2-CG1 3.8Å; V205-I271 HydrophobicContact CG2-CG2 4.41Å
206S97.3Very high93.7Very high9 Ų955.8 Ų55.86%0.06328%0.282CS..EExtended strand (participates in β ladder)trans-110.9151.7-177-66.40000111.7F198 T199 R218 G219F198-S206 CarbonylContact C-O 3.56Å; F198-S206 WeakPolarHBondContact CA-O 3.28Å; T199-S206 PolarHBondContact N-O 2.75Å; T199-S206 PolarHBondContact O-N 3.04Å; S206-R218 WeakPolarHBondContact CA-O 3.36Å; S206-G219 WeakPolarHBondContact OG-CA 3.3Å
207Y96.5Very high93.5Very high22 Ų2257.6 Ų57.69%0.08630%0.295CS..EExtended strand (participates in β ladder)trans-137.6146.9172.668.3-99.2000114.1K185 R196 F197 F198 L217 R218 F254K185-Y207 HydrophobicContact CD-CD1 4.04Å; K185-Y207 HydrophobicContact CD-CD2 3.87Å; K185-Y207 HydrophobicContact CD-CE1 3.99Å; K185-Y207 HydrophobicContact CD-CE2 3.86Å; K185-Y207 HydrophobicContact CD-CG 3.99Å; R196-Y207 HydrophobicContact CB-CD2 4.43Å; R196-Y207 HydrophobicContact CG-CD2 4.27Å; F197-Y207 CarbonylContact O-C 3.59Å; F197-Y207 WeakPolarHBondContact O-CA 3.4Å; F198-Y207 AromaticContact CE1-CD1 3.95Å; F198-Y207 HydrophobicContact CE1-CD1 3.95Å; F198-Y207 HydrophobicContact CE1-CG 4.2Å; F198-Y207 HydrophobicContact CZ-CD1 4.21Å; F198-Y207 HydrophobicContact CZ-CG 4.23Å; Y207-L217 HydrophobicContact CD2-CB 3.89Å; Y207-L217 HydrophobicContact CD2-CD1 4.08Å; Y207-L217 HydrophobicContact CE2-CB 3.61Å; Y207-L217 HydrophobicContact CE2-CD1 4.07Å; Y207-L217 WeakPolarHBondContact O-CB 3.31Å; Y207-L217 PolarHBondContact O-N 3.2Å; Y207-R218 HydrophobicContact CD1-CB 4.48Å; Y207-R218 HydrophobicContact CE1-CB 3.76Å; Y207-R218 HydrophobicContact CE1-CG 4.37Å; Y207-R218 HydrophobicContact CE2-CB 4.43Å; Y207-R218 PolarHBondContact N-O 3.39Å; Y207-F254 HydrophobicContact CE1-CE1 4.42Å
208Y96.1Very high93.4Very high17 Ų1762.8 Ų62.87%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-126163.3-169-56.4-97.8000110.6R174 R196 F197 T199 S210 D213 K214 E215 P216R174-Y208 PolarHBondContact NH1-OH 3.36Å; R196-Y208 WeakPolarHBondContact CB-O 3.46Å; R196-Y208 WeakPolarHBondContact CD-O 3.28Å; F197-Y208 HydrophobicContact CD1-CD2 4.14Å; F197-Y208 PolarHBondContact N-O 2.91Å; F197-Y208 PolarHBondContact O-N 3.4Å; T199-Y208 HydrophobicContact CG2-CD2 4.38Å; T199-Y208 HydrophobicContact CG2-CE2 3.82Å; T199-Y208 WeakPolarHBondContact OG1-CE2 3.48Å; Y208-S210 WeakPolarHBondContact CB-O 3.29Å; Y208-D213 HydrophobicContact CD1-CB 4.1Å; Y208-D213 VanDerWaalsContact CD1-O 3.28Å; Y208-D213 WeakPolarHBondContact CD1-O 3.09Å; Y208-K214 WeakPolarHBondContact CE1-O 3.46Å; Y208-E215 VanDerWaalsContact CD1-O 3.3Å; Y208-E215 WeakPolarHBondContact CD1-O 3.31Å; Y208-E215 VanDerWaalsContact CE1-C 3.5Å; Y208-P216 HydrophobicContact CD1-CB 4.19Å; Y208-P216 VanDerWaalsContact CE1-CA 3.43Å; Y208-P216 HydrophobicContact CE1-CB 3.68Å; Y208-P216 HydrophobicContact CE1-CG 4.31Å; Y208-P216 VanDerWaalsContact CE1-N 3.28Å; Y208-P216 HydrophobicContact CE2-CB 4.36Å
209K89.3Confident93.3Very high141 Ų14164.1 Ų64.161%0.61333%0.33SS*.SBendtrans-73.6-39176.6176-166.7173.2-164.30109.8D213 L217K209-D213 VanDerWaalsContact CA-OD2 3.29Å; K209-D213 WeakPolarHBondContact CA-OD2 3.18Å; K209-D213 WeakPolarHBondContact CB-OD2 3.35Å; K209-D213 PolarHBondContact N-OD2 2.94Å; K209-L217 HydrophobicContact CB-CD1 4.19Å
210S87.3Confident93.3Very high29 Ų2964.3 Ų64.320%0.20333%0.331CS..SBendtrans-134.6170.8168.156.50000111.4Y208 T212 D213Y208-S210 WeakPolarHBondContact CB-O 3.29Å; S210-T212 VanDerWaalsContact C-N 3.27Å; S210-T212 PolarHBondContact O-N 2.78Å; S210-T212 PolarHBondContact OG-OG1 2.86Å; S210-D213 PolarHBondContact N-OD2 3.05Å; S210-D213 PolarHBondContact O-N 2.98Å; S210-D213 PolarHBondContact OG-OD1 3.1Å; S210-D213 PolarHBondContact OG-OD2 3.15Å
211D90.3Very high93.2Very high78 Ų7866.2 Ų66.242%0.41734%0.343SS..THydrogen-bonded Turntrans-66.1-27.317364.4-53.8000113.5R174 F182 F197R174-D211 PolarHBondContact NH2-O 2.84Å; F182-D211 HydrophobicContact CE2-CB 4.48Å; F182-D211 HydrophobicContact CZ-CB 4.13Å; F197-D211 HydrophobicContact CB-CB 4.4Å; F197-D211 HydrophobicContact CD1-CB 3.96Å; F197-D211 HydrophobicContact CD2-CB 3.66Å; F197-D211 HydrophobicContact CE1-CB 3.98Å; F197-D211 HydrophobicContact CE2-CB 3.7Å; F197-D211 HydrophobicContact CG-CB 3.76Å; F197-D211 HydrophobicContact CZ-CB 3.83Å
212T87.9Confident93.2Very high106 Ų10664.5 Ų64.565%0.6533%0.334SS*.THydrogen-bonded Turntrans-77.5-15.9178.651.80000114.7S210 K214S210-T212 VanDerWaalsContact C-N 3.27Å; S210-T212 PolarHBondContact O-N 2.78Å; S210-T212 PolarHBondContact OG-OG1 2.86Å; T212-K214 PolarHBondContact O-N 2.84Å
213D88.3Confident93.2Very high52 Ų5268.4 Ų68.428%0.27834%0.342SS..  trans-71.1129.4-178.7-66.5-41.2000111.7R174 Y208 K209 S210R174-D213 PolarHBondContact NH1-O 3.1Å; R174-D213 PolarHBondContact NH2-O 2.84Å; Y208-D213 HydrophobicContact CD1-CB 4.1Å; Y208-D213 VanDerWaalsContact CD1-O 3.28Å; Y208-D213 WeakPolarHBondContact CD1-O 3.09Å; K209-D213 VanDerWaalsContact CA-OD2 3.29Å; K209-D213 WeakPolarHBondContact CA-OD2 3.18Å; K209-D213 WeakPolarHBondContact CB-OD2 3.35Å; K209-D213 PolarHBondContact N-OD2 2.94Å; S210-D213 PolarHBondContact N-OD2 3.05Å; S210-D213 PolarHBondContact O-N 2.98Å; S210-D213 PolarHBondContact OG-OD1 3.1Å; S210-D213 PolarHBondContact OG-OD2 3.15Å
214K89.8Confident93.3Very high180 Ų18065.2 Ų65.278%0.78333%0.325SS*.SBendtrans-69.9-44.8176.5-63.5-175.7-179.6-178.70112.3Y208 T212Y208-K214 WeakPolarHBondContact CE1-O 3.46Å; T212-K214 PolarHBondContact O-N 2.84Å
215E91.1Very high93.3Very high153 Ų15364.6 Ų64.672%0.71532%0.32SS*.SBendtrans-93.1130.8-174.2-66.2-53.6129.200112.9Y208Y208-E215 VanDerWaalsContact CD1-O 3.3Å; Y208-E215 WeakPolarHBondContact CD1-O 3.31Å; Y208-E215 VanDerWaalsContact CE1-C 3.5Å
216P94.7Very high93.2Very high50 Ų5069.1 Ų69.133%0.32534%0.341SS..  trans-73.2140.4176.329.8-32.9000111.1Y208 R218Y208-P216 HydrophobicContact CD1-CB 4.19Å; Y208-P216 VanDerWaalsContact CE1-CA 3.43Å; Y208-P216 HydrophobicContact CE1-CB 3.68Å; Y208-P216 HydrophobicContact CE1-CG 4.31Å; Y208-P216 VanDerWaalsContact CE1-N 3.28Å; Y208-P216 HydrophobicContact CE2-CB 4.36Å; P216-R218 PolarHBondContact O-N 3.3Å
217L92.1Very high93Very high93 Ų9374 Ų7449%0.48736%0.361SS..SBendtrans-63-26.7168.2-66.6171.3000111.9Y207 K209Y207-L217 HydrophobicContact CD2-CB 3.89Å; Y207-L217 HydrophobicContact CD2-CD1 4.08Å; Y207-L217 HydrophobicContact CE2-CB 3.61Å; Y207-L217 HydrophobicContact CE2-CD1 4.07Å; Y207-L217 WeakPolarHBondContact O-CB 3.31Å; Y207-L217 PolarHBondContact O-N 3.2Å; K209-L217 HydrophobicContact CB-CD1 4.19Å
218R94.9Very high93Very high122 Ų12273.2 Ų73.246%0.4636%0.358SS..EExtended strand (participates in β ladder)trans-169135.8170.5179.3166.8-67.1-120.8-5110.1S206 Y207 P216 I220S206-R218 WeakPolarHBondContact CA-O 3.36Å; Y207-R218 HydrophobicContact CD1-CB 4.48Å; Y207-R218 HydrophobicContact CE1-CB 3.76Å; Y207-R218 HydrophobicContact CE1-CG 4.37Å; Y207-R218 HydrophobicContact CE2-CB 4.43Å; Y207-R218 PolarHBondContact N-O 3.39Å; P216-R218 PolarHBondContact O-N 3.3Å; R218-I220 HydrophobicContact CG-CG1 4.46Å
219G95.1Very high93Very high32 Ų3274.5 Ų74.533%0.3337%0.365SS..EExtended strand (participates in β ladder)trans-91.2143.7155.800000111.2S206S206-G219 WeakPolarHBondContact OG-CA 3.3Å
220I96.5Very high93.2Very high6 Ų671.8 Ų71.83%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-113.498.5171.5-54.5170.4000106.4A204 V205 R218 L222 I225 T249 F254A204-I220 CarbonylContact C-O 3.57Å; A204-I220 VanDerWaalsContact CA-O 3.27Å; A204-I220 WeakPolarHBondContact CA-O 3.46Å; A204-I220 WeakPolarHBondContact CB-O 3.19Å; V205-I220 HydrophobicContact CB-CB 4.41Å; V205-I220 PolarHBondContact N-O 2.95Å; V205-I220 WeakPolarHBondContact O-CB 3.47Å; V205-I220 PolarHBondContact O-N 3.11Å; R218-I220 HydrophobicContact CG-CG1 4.46Å; I220-L222 PolarHBondContact O-N 3.08Å; I220-I225 HydrophobicContact CG2-CD1 4.18Å; I220-I225 HydrophobicContact CG2-CG1 3.82Å; I220-T249 HydrophobicContact CG2-CG2 3.72Å; I220-F254 HydrophobicContact CD1-CD1 3.82Å; I220-F254 HydrophobicContact CD1-CD2 3.79Å; I220-F254 HydrophobicContact CD1-CE1 3.79Å; I220-F254 HydrophobicContact CD1-CE2 3.77Å; I220-F254 HydrophobicContact CD1-CG 3.82Å; I220-F254 HydrophobicContact CD1-CZ 3.76Å; I220-F254 HydrophobicContact CG1-CE1 4.28Å; I220-F254 HydrophobicContact CG1-CE2 4.15Å; I220-F254 HydrophobicContact CG1-CZ 3.94Å
221P95.3Very high93.2Very high40 Ų4071 Ų7126%0.2635%0.348SS..EExtended strand (participates in β ladder)trans-60.1135.3-177.9-24.535.3000111.4N203 R223 D224 I225N203-P221 WeakPolarHBondContact O-CA 3.4Å; P221-R223 HydrophobicContact CB-CG 3.86Å; P221-R223 PolarHBondContact O-N 3Å; P221-R223 VanDerWaalsContact O-N 3.16Å; P221-D224 WeakPolarHBondContact CB-OD2 3.16Å; P221-D224 WeakPolarHBondContact CD-OD2 3.47Å; P221-D224 VanDerWaalsContact CG-OD2 3.29Å; P221-D224 WeakPolarHBondContact CG-OD2 3.39Å; P221-D224 WeakPolarHBondContact O-CB 3.1Å; P221-D224 PolarHBondContact O-N 2.93Å; P221-I225 PolarHBondContact O-N 3.02Å
222L95.3Very high92.7Very high2 Ų272 Ų721%0.0135%0.354CS..G310 helixtrans-59-32.3-177.1-64.6172.5000112.4L200 D202 N203 V205 I220 D224 I225 K274 I275L200-L222 HydrophobicContact CD1-CD2 3.96Å; D202-L222 WeakPolarHBondContact O-CD1 3.39Å; N203-L222 WeakPolarHBondContact O-CG 3.35Å; N203-L222 PolarHBondContact O-N 3.21Å; V205-L222 HydrophobicContact CG2-CD2 4.26Å; I220-L222 PolarHBondContact O-N 3.08Å; L222-D224 PolarHBondContact O-N 3.38Å; L222-I225 HydrophobicContact CD2-CD1 3.95Å; L222-I225 PolarHBondContact O-N 2.81Å; L222-K274 HydrophobicContact CD1-CB 3.68Å; L222-I275 HydrophobicContact CB-CG1 4.36Å; L222-I275 HydrophobicContact CD2-CG1 4.24Å
223R93.4Very high91.6Very high166 Ų16668.8 Ų68.863%0.62633%0.334SS*.G310 helixtrans-59.7-29.6173.666.4174.3-167.3-157.1-2.3113.8P221 F278P221-R223 HydrophobicContact CB-CG 3.86Å; P221-R223 PolarHBondContact O-N 3Å; P221-R223 VanDerWaalsContact O-N 3.16Å; R223-F278 HydrophobicContact CB-CD1 4.45Å; R223-F278 HydrophobicContact CB-CE1 3.57Å; R223-F278 HydrophobicContact CB-CZ 3.69Å
224D94.3Very high89.6Confident59 Ų5968 Ų6832%0.31633%0.328SS..G310 helixtrans-89.8-14.7-176-59-26.4000112P221 L222 Q226 T249 H250P221-D224 WeakPolarHBondContact CB-OD2 3.16Å; P221-D224 WeakPolarHBondContact CD-OD2 3.47Å; P221-D224 VanDerWaalsContact CG-OD2 3.29Å; P221-D224 WeakPolarHBondContact CG-OD2 3.39Å; P221-D224 WeakPolarHBondContact O-CB 3.1Å; P221-D224 PolarHBondContact O-N 2.93Å; L222-D224 PolarHBondContact O-N 3.38Å; D224-Q226 PolarHBondContact O-N 3.35Å; D224-T249 WeakPolarHBondContact O-CA 3.46Å; D224-T249 WeakPolarHBondContact O-CB 3.35Å; D224-H250 PolarHBondContact O-ND1 3.49Å
225I96Very high87.7Confident0 Ų061.1 Ų61.10%030%0.302CS..EExtended strand (participates in β ladder)trans-75.5118.1175-55.7176.3000108.7V205 I220 P221 L222 I247 T249 I271 I275 R279V205-I225 HydrophobicContact CG2-CD1 4.28Å; I220-I225 HydrophobicContact CG2-CD1 4.18Å; I220-I225 HydrophobicContact CG2-CG1 3.82Å; P221-I225 PolarHBondContact O-N 3.02Å; L222-I225 HydrophobicContact CD2-CD1 3.95Å; L222-I225 PolarHBondContact O-N 2.81Å; I225-I247 HydrophobicContact CB-CG2 4.32Å; I225-I247 HydrophobicContact CD1-CG2 3.78Å; I225-I247 HydrophobicContact CG1-CG2 3.77Å; I225-I247 HydrophobicContact CG2-CG2 3.67Å; I225-T249 HydrophobicContact CG1-CG2 4.36Å; I225-I271 HydrophobicContact CD1-CG2 4.07Å; I225-I275 HydrophobicContact CB-CD1 3.83Å; I225-I275 HydrophobicContact CD1-CD1 4.28Å; I225-I275 HydrophobicContact CG2-CD1 3.55Å; I225-R279 PolarHBondContact O-NH2 3.33Å
226Q95Very high86.4Confident95 Ų9555.9 Ų55.944%0.44429%0.289SS..EExtended strand (participates in β ladder)trans-79.3-43.9174.8-65.4-174.6-27.900110.8D224 I248 H250D224-Q226 PolarHBondContact O-N 3.35Å; Q226-I248 PolarHBondContact N-O 2.86Å; Q226-H250 PolarHBondContact NE2-CD2 2.87Å; Q226-H250 PolarHBondContact NE2-NE2 2.77Å; Q226-H250 VanDerWaalsContact NE2-NE2 3.14Å
227K94.1Very high85.2Confident112 Ų11258.6 Ų58.649%0.48730%0.301SS..EExtended strand (participates in β ladder)trans-155.9149.4-174.3-158.4-172.2171.8-152.60110.7H229 I248K227-H229 VanDerWaalsContact CD-CD2 3.43Å; K227-H229 WeakPolarHBondContact CD-CD2 3.46Å; K227-H229 WeakPolarHBondContact CE-CD2 3.15Å; K227-H229 PolarHBondContact NZ-CD2 3.48Å; K227-H229 PolarHBondContact NZ-NE2 3.41Å; K227-I248 HydrophobicContact CB-CB 4.46Å; K227-I248 PolarHBondContact N-O 2.9Å; K227-I248 PolarHBondContact O-N 2.88Å
228V96.8Very high84.3Confident4 Ų455.2 Ų55.22%0.02428%0.283CS..EExtended strand (participates in β ladder)trans-127141.9164.458.80000108.6F245 E246 I247 I268 I271 D272V228-F245 HydrophobicContact CG2-CD2 3.99Å; V228-F245 HydrophobicContact CG2-CE2 4.39Å; V228-E246 WeakPolarHBondContact CA-O 3.28Å; V228-I247 HydrophobicContact CG2-CG1 4.04Å; V228-I268 HydrophobicContact CG1-CG2 4.42Å; V228-I268 HydrophobicContact CG2-CG1 4.21Å; V228-I268 HydrophobicContact CG2-CG2 4.46Å; V228-I271 HydrophobicContact CB-CG2 4.16Å; V228-I271 HydrophobicContact CG1-CB 4.11Å; V228-I271 HydrophobicContact CG1-CG2 3.77Å; V228-I271 HydrophobicContact CG2-CD1 4.42Å; V228-I271 HydrophobicContact CG2-CG2 4.45Å; V228-D272 HydrophobicContact CG1-CB 4.28Å; V228-D272 VanDerWaalsContact CG1-CG 3.48Å; V228-D272 VanDerWaalsContact CG1-OD1 3.29Å; V228-D272 WeakPolarHBondContact CG1-OD1 3.41Å
229H95.8Very high83Confident45 Ų4551.5 Ų51.521%0.20827%0.272CS..EExtended strand (participates in β ladder)trans-167.3171.6171.854.196.3000112.3K227 C231 F245 E246K227-H229 VanDerWaalsContact CD-CD2 3.43Å; K227-H229 WeakPolarHBondContact CD-CD2 3.46Å; K227-H229 WeakPolarHBondContact CE-CD2 3.15Å; K227-H229 PolarHBondContact NZ-CD2 3.48Å; K227-H229 PolarHBondContact NZ-NE2 3.41Å; H229-C231 PolarHBondContact O-N 2.91Å; H229-F245 WeakPolarHBondContact O-CA 3.43Å; H229-F245 WeakPolarHBondContact O-CB 3.4Å; H229-E246 IonicContact CE1-OE1 2.67Å; H229-E246 PolarHBondContact CE1-OE1 2.9Å; H229-E246 PolarHBondContact N-O 3.07Å; H229-E246 VanDerWaalsContact N-O 3.14Å; H229-E246 IonicContact ND1-OE1 2.96Å; H229-E246 IonicContact NE2-OE1 3.9Å; H229-E246 PolarHBondContact O-N 2.97Å
230E94.2Very high81.9Confident84 Ų8455.5 Ų55.539%0.39329%0.285SS..EExtended strand (participates in β ladder)trans-54.6133.8166.8-175.3-177.9-171.800111.2L232 M264 I268E230-L232 HydrophobicContact CG-CD2 3.87Å; E230-L232 HydrophobicContact CG-CG 4.37Å; E230-L232 PolarHBondContact O-N 2.93Å; E230-L232 VanDerWaalsContact O-N 3.14Å; E230-M264 HydrophobicContact CB-CE 4.33Å; E230-M264 HydrophobicContact CG-CE 3.81Å; E230-M264 HydrophobicContact CG-SD 4.04Å; E230-I268 HydrophobicContact CB-CD1 4.31Å
231C87.1Confident81.1Confident11 Ų1159.2 Ų59.27%0.07430%0.299CS..  trans-86.981.2-175.3-178.60000110.2H229 V233 L244 E246 Y255H229-C231 PolarHBondContact O-N 2.91Å; C231-V233 PolarHBondContact O-N 3.03Å; C231-V233 WeakPolarHBondContact SG-CG2 3.2Å; C231-L244 HydrophobicContact CB-CB 4.22Å; C231-L244 HydrophobicContact CB-CD2 3.79Å; C231-L244 HydrophobicContact CB-CG 3.69Å; C231-L244 VanDerWaalsContact CB-O 3.26Å; C231-L244 WeakPolarHBondContact CB-O 3.32Å; C231-L244 PolarHBondContact N-O 3.23Å; C231-L244 WeakPolarHBondContact SG-CD2 3.43Å; C231-E246 HydrophobicContact CB-CB 4.26Å; C231-E246 HydrophobicContact CB-CG 4.33Å; C231-Y255 WeakPolarHBondContact SG-CD1 3.47Å; C231-Y255 WeakPolarHBondContact SG-CE1 3.28Å
232L80.1Confident80.5Confident101 Ų10163.1 Ų63.153%0.52932%0.318SS..  trans-74.632.5179.7-58.1177.8000113.9E230 K234E230-L232 HydrophobicContact CG-CD2 3.87Å; E230-L232 HydrophobicContact CG-CG 4.37Å; E230-L232 PolarHBondContact O-N 2.93Å; E230-L232 VanDerWaalsContact O-N 3.14Å; L232-K234 WeakPolarHBondContact O-CG 3.41Å; L232-K234 PolarHBondContact O-NZ 2.9Å
233V63.6Low80.3Confident38 Ų3865 Ų6523%0.2333%0.328CS..  trans-70.8135.2-174.5167.80000111.3C231 L238 Y255C231-V233 PolarHBondContact O-N 3.03Å; C231-V233 WeakPolarHBondContact SG-CG2 3.2Å; V233-L238 HydrophobicContact CB-CB 4.27Å; V233-L238 HydrophobicContact CG1-CB 3.78Å; V233-L238 HydrophobicContact CG1-CD1 3.92Å; V233-L238 HydrophobicContact CG1-CG 4.5Å; V233-Y255 HydrophobicContact CG2-CE1 4.3Å
234K46.8Very low80.3Confident36 Ų3657.4 Ų57.416%0.15730%0.3CS..  trans-117.333.9-168.7-53.3-169.1177.3650114.6Y63 L232 L239Y63-K234 HydrophobicContact CD2-CD 4.21Å; Y63-K234 VanDerWaalsContact CD2-CE 3.46Å; Y63-K234 HydrophobicContact CE2-CD 4.45Å; L232-K234 WeakPolarHBondContact O-CG 3.41Å; L232-K234 PolarHBondContact O-NZ 2.9Å; K234-L239 HydrophobicContact CB-CD2 4.45Å
235S48.8Very low80.4Confident35 Ų3554.7 Ų54.725%0.24529%0.285CS..BIsolated β-bridgetrans-156.9141.7176.656.80000114
236G65.4Low80.4Confident42 Ų4255.8 Ų55.843%0.43329%0.29SS..G310 helixtrans70.8-160.7170.400000114.6L238 L239G236-L238 PolarHBondContact O-N 2.67Å; G236-L239 WeakPolarHBondContact O-CB 3.37Å; G236-L239 PolarHBondContact O-N 3.14Å
237D68.1Low80.5Confident107 Ų10751.3 Ų51.357%0.57227%0.269SS*.G310 helixtrans-53.7-16-177.1-58.1-3.1000115.6R241D237-R241 WeakPolarHBondContact O-CG 3.15Å
238L74.5Confident80.5Confident23 Ų2347.8 Ų47.812%0.1226%0.255CS..G310 helixtrans-79.4-24.3177.3-67.6165000112.5W193 V233 G236 L240 L244 Y255W193-L238 HydrophobicContact CH2-CD2 3.54Å; W193-L238 HydrophobicContact CZ2-CD2 3.51Å; W193-L238 HydrophobicContact CZ2-CG 4.42Å; V233-L238 HydrophobicContact CB-CB 4.27Å; V233-L238 HydrophobicContact CG1-CB 3.78Å; V233-L238 HydrophobicContact CG1-CD1 3.92Å; V233-L238 HydrophobicContact CG1-CG 4.5Å; G236-L238 PolarHBondContact O-N 2.67Å; L238-L240 VanDerWaalsContact C-N 3.33Å; L238-L244 HydrophobicContact CB-CD2 4.3Å; L238-L244 HydrophobicContact CD2-CD2 3.81Å; L238-Y255 HydrophobicContact CD1-CD1 4.36Å; L238-Y255 HydrophobicContact CD1-CD2 4.41Å; L238-Y255 HydrophobicContact CD1-CE1 4.1Å; L238-Y255 HydrophobicContact CD1-CE2 4.17Å; L238-Y255 HydrophobicContact CD2-CD1 3.81Å; L238-Y255 HydrophobicContact CD2-CD2 4.14Å; L238-Y255 HydrophobicContact CD2-CE1 4.37Å; L238-Y255 HydrophobicContact CD2-CG 3.68Å
239L67.3Low80.4Confident43 Ų4348.2 Ų48.223%0.22526%0.258CS..THydrogen-bonded Turntrans-67.7-31.7175.6-93.4169.4000113.4K234 G236 R241K234-L239 HydrophobicContact CB-CD2 4.45Å; G236-L239 WeakPolarHBondContact O-CB 3.37Å; G236-L239 PolarHBondContact O-N 3.14Å; L239-R241 PolarHBondContact O-N 3.47Å
240L72.2Confident80.1Confident116 Ų11652.4 Ų52.461%0.60728%0.277SS*.THydrogen-bonded Turntrans-90.420.1-173-57.3175.5000112L238L238-L240 VanDerWaalsContact C-N 3.33Å
241R78.9Confident79.8Confident85 Ų8553.9 Ų53.932%0.32130%0.297SS..  trans-127.196.7-172.9-70.7-80.3173.7-165.1-12.4108.9W193 D237 L239 L244W193-R241 HydrophobicContact CH2-CG 4.27Å; W193-R241 HydrophobicContact CZ2-CG 3.94Å; D237-R241 WeakPolarHBondContact O-CG 3.15Å; L239-R241 PolarHBondContact O-N 3.47Å; R241-L244 HydrophobicContact CB-CB 4.39Å; R241-L244 HydrophobicContact CB-CD1 4.36Å; R241-L244 HydrophobicContact CB-CD2 4.14Å; R241-L244 VanDerWaalsContact O-CB 3.31Å; R241-L244 WeakPolarHBondContact O-CB 3.32Å
242D82.1Confident80Confident122 Ų12255 Ų5565%0.65230%0.3SS*.SBendtrans-65.1164.9169.2-54.5-49.7000111L244 Q257D242-L244 PolarHBondContact O-N 2.96Å; D242-L244 VanDerWaalsContact O-N 3.16Å; D242-Q257 WeakPolarHBondContact O-CG 3.19Å; D242-Q257 PolarHBondContact O-NE2 2.84Å
243N91.4Very high80.6Confident42 Ų4252.4 Ų52.423%0.22529%0.288CS..SBendtrans54.235.9175.4-49.5-26.4000113.4Q257 T258 D259 T260 P261N243-Q257 WeakPolarHBondContact O-CA 3.42Å; N243-T258 WeakPolarHBondContact CB-O 3.42Å; N243-T258 PolarHBondContact O-N 2.81Å; N243-T258 PolarHBondContact O-OG1 3.34Å; N243-D259 PolarHBondContact ND2-O 2.98Å; N243-T260 VanDerWaalsContact CG-C 3.49Å; N243-T260 WeakPolarHBondContact ND2-CA 3.22Å; N243-P261 WeakPolarHBondContact OD1-CA 3.2Å; N243-P261 WeakPolarHBondContact OD1-CB 3.39Å; N243-P261 WeakPolarHBondContact OD1-CD 3.37Å
244L93.8Very high82.1Confident6 Ų651 Ų513%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-100.5126-173.9-173.774.7000111.6W193 C231 L238 R241 D242 Q257 M264W193-L244 HydrophobicContact CH2-CD1 3.59Å; W193-L244 HydrophobicContact CZ3-CD1 3.83Å; C231-L244 HydrophobicContact CB-CB 4.22Å; C231-L244 HydrophobicContact CB-CD2 3.79Å; C231-L244 HydrophobicContact CB-CG 3.69Å; C231-L244 VanDerWaalsContact CB-O 3.26Å; C231-L244 WeakPolarHBondContact CB-O 3.32Å; C231-L244 PolarHBondContact N-O 3.23Å; C231-L244 WeakPolarHBondContact SG-CD2 3.43Å; L238-L244 HydrophobicContact CB-CD2 4.3Å; L238-L244 HydrophobicContact CD2-CD2 3.81Å; R241-L244 HydrophobicContact CB-CB 4.39Å; R241-L244 HydrophobicContact CB-CD1 4.36Å; R241-L244 HydrophobicContact CB-CD2 4.14Å; R241-L244 VanDerWaalsContact O-CB 3.31Å; R241-L244 WeakPolarHBondContact O-CB 3.32Å; D242-L244 PolarHBondContact O-N 2.96Å; D242-L244 VanDerWaalsContact O-N 3.16Å; L244-Q257 HydrophobicContact CD1-CB 3.94Å; L244-M264 PolarHBondContact N-SD 3.06Å; L244-M264 VanDerWaalsContact N-SD 3.43Å; L244-M264 VanDerWaalsContact O-SD 3.42Å
245F96.2Very high84.4Confident2 Ų251.4 Ų51.41%0.00928%0.28CS..EExtended strand (participates in β ladder)trans-122.5160171.874.3-84.4000111.8V228 H229 I247 I256 T258 M264 W267 I268 I271V228-F245 HydrophobicContact CG2-CD2 3.99Å; V228-F245 HydrophobicContact CG2-CE2 4.39Å; H229-F245 WeakPolarHBondContact O-CA 3.43Å; H229-F245 WeakPolarHBondContact O-CB 3.4Å; F245-I247 HydrophobicContact CD2-CG1 4.27Å; F245-I247 HydrophobicContact CE2-CD1 4.06Å; F245-I247 HydrophobicContact CE2-CG1 3.9Å; F245-I256 HydrophobicContact CD1-CB 4.13Å; F245-I256 HydrophobicContact CD1-CG2 4.4Å; F245-I256 VanDerWaalsContact CD1-O 3.24Å; F245-I256 WeakPolarHBondContact CD1-O 3.5Å; F245-I256 HydrophobicContact CD2-CD1 4.39Å; F245-I256 HydrophobicContact CE1-CB 3.66Å; F245-I256 HydrophobicContact CE1-CG2 3.58Å; F245-I256 HydrophobicContact CE2-CB 4.23Å; F245-I256 HydrophobicContact CE2-CD1 3.88Å; F245-I256 HydrophobicContact CZ-CB 3.71Å; F245-I256 HydrophobicContact CZ-CD1 4.11Å; F245-I256 HydrophobicContact CZ-CG1 4.29Å; F245-I256 HydrophobicContact CZ-CG2 3.78Å; F245-I256 PolarHBondContact N-O 2.74Å; F245-I256 PolarHBondContact O-N 3.18Å; F245-T258 HydrophobicContact CD1-CG2 4.43Å; F245-T258 HydrophobicContact CE1-CG2 3.91Å; F245-M264 HydrophobicContact CB-CG 3.92Å; F245-M264 HydrophobicContact CB-SD 4.47Å; F245-M264 HydrophobicContact CD1-CG 4.04Å; F245-M264 HydrophobicContact CG-CG 4.39Å; F245-W267 HydrophobicContact CE1-CB 3.9Å; F245-W267 HydrophobicContact CE1-CG 4.23Å; F245-W267 HydrophobicContact CE2-CB 4.25Å; F245-W267 HydrophobicContact CZ-CB 3.67Å; F245-W267 HydrophobicContact CZ-CG 4.06Å; F245-I268 HydrophobicContact CB-CD1 3.84Å; F245-I268 HydrophobicContact CB-CG1 3.86Å; F245-I268 HydrophobicContact CD2-CG1 4.23Å; F245-I268 HydrophobicContact CG-CG1 4.15Å; F245-I271 HydrophobicContact CE2-CD1 4.21Å
246E96Very high86.7Confident22 Ų2249.8 Ų49.810%0.10327%0.268CS..EExtended strand (participates in β ladder)trans-123.5137.3177.465.7-178.2159.600112.8V228 H229 C231 I248 T253 F254 Y255V228-E246 WeakPolarHBondContact CA-O 3.28Å; H229-E246 IonicContact CE1-OE1 2.67Å; H229-E246 PolarHBondContact CE1-OE1 2.9Å; H229-E246 PolarHBondContact N-O 3.07Å; H229-E246 VanDerWaalsContact N-O 3.14Å; H229-E246 IonicContact ND1-OE1 2.96Å; H229-E246 IonicContact NE2-OE1 3.9Å; H229-E246 PolarHBondContact O-N 2.97Å; C231-E246 HydrophobicContact CB-CB 4.26Å; C231-E246 HydrophobicContact CB-CG 4.33Å; E246-I248 HydrophobicContact CG-CG1 4.36Å; E246-T253 HydrophobicContact CB-CG2 3.83Å; E246-T253 HydrophobicContact CG-CG2 4.42Å; E246-T253 VanDerWaalsContact OE2-CG2 3.24Å; E246-T253 WeakPolarHBondContact OE2-CG2 3.36Å; E246-F254 CarbonylContact C-O 3.52Å; E246-F254 VanDerWaalsContact CA-O 3.27Å; E246-F254 WeakPolarHBondContact CA-O 3.12Å; E246-Y255 HydrophobicContact CB-CD1 3.9Å; E246-Y255 HydrophobicContact CB-CE1 3.98Å; E246-Y255 WeakPolarHBondContact OE2-CE1 3.33Å
247I97.3Very high88.1Confident1 Ų149.1 Ų49.11%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-106.5113.9169.8-55.9174.7000107.1V205 I225 V228 F245 T249 T253 F254 I256 I271V205-I247 HydrophobicContact CG1-CD1 4.14Å; V205-I247 HydrophobicContact CG2-CD1 4.5Å; I225-I247 HydrophobicContact CB-CG2 4.32Å; I225-I247 HydrophobicContact CD1-CG2 3.78Å; I225-I247 HydrophobicContact CG1-CG2 3.77Å; I225-I247 HydrophobicContact CG2-CG2 3.67Å; V228-I247 HydrophobicContact CG2-CG1 4.04Å; F245-I247 HydrophobicContact CD2-CG1 4.27Å; F245-I247 HydrophobicContact CE2-CD1 4.06Å; F245-I247 HydrophobicContact CE2-CG1 3.9Å; I247-T249 HydrophobicContact CG2-CG2 4.45Å; I247-T253 CarbonylContact O-C 3.6Å; I247-T253 WeakPolarHBondContact O-CA 3.27Å; I247-F254 HydrophobicContact CB-CB 4.36Å; I247-F254 PolarHBondContact N-O 2.79Å; I247-F254 PolarHBondContact O-N 3.35Å; I247-I256 HydrophobicContact CD1-CD1 3.78Å; I247-I256 HydrophobicContact CG1-CD1 3.88Å; I247-I271 HydrophobicContact CD1-CD1 3.95Å; I247-I271 HydrophobicContact CG1-CD1 4.48Å
248I94.7Very high89.4Confident38 Ų3844.1 Ų44.120%0.19523%0.227CC..EExtended strand (participates in β ladder)trans-95.3118.9-179.1-57.6175.8000108.6Q226 K227 E246 T253Q226-I248 PolarHBondContact N-O 2.86Å; K227-I248 HydrophobicContact CB-CB 4.46Å; K227-I248 PolarHBondContact N-O 2.9Å; K227-I248 PolarHBondContact O-N 2.88Å; E246-I248 HydrophobicContact CG-CG1 4.36Å; I248-T253 HydrophobicContact CG1-CG2 4.12Å
249T94.9Very high90Very high13 Ų1347 Ų478%0.0824%0.243CC..EExtended strand (participates in β ladder)trans-115.2164.216981.60000110.7I220 D224 I225 I247 S251 R252 F254I220-T249 HydrophobicContact CG2-CG2 3.72Å; D224-T249 WeakPolarHBondContact O-CA 3.46Å; D224-T249 WeakPolarHBondContact O-CB 3.35Å; I225-T249 HydrophobicContact CG1-CG2 4.36Å; I247-T249 HydrophobicContact CG2-CG2 4.45Å; T249-S251 PolarHBondContact O-N 2.86Å; T249-R252 PolarHBondContact N-O 2.84Å; T249-R252 PolarHBondContact O-N 3.4Å; T249-R252 PolarHBondContact OG1-N 3.17Å; T249-R252 PolarHBondContact OG1-O 3.14Å; T249-F254 HydrophobicContact CG2-CD2 4.29Å; T249-F254 HydrophobicContact CG2-CE2 3.99Å
250H89.2Confident91.1Very high133 Ų13347.3 Ų47.362%0.61625%0.247SC*.THydrogen-bonded Turntrans-48-32.5179.5-64.482.2000115.2D224 Q226D224-H250 PolarHBondContact O-ND1 3.49Å; Q226-H250 PolarHBondContact NE2-CD2 2.87Å; Q226-H250 PolarHBondContact NE2-NE2 2.77Å; Q226-H250 VanDerWaalsContact NE2-NE2 3.14Å
251S88.3Confident92Very high115 Ų11544.1 Ų44.180%0.80423%0.233SC*.THydrogen-bonded Turntrans-113.9-10.5-176580000114T249T249-S251 PolarHBondContact O-N 2.86Å
252R90.4Very high92.7Very high35 Ų3546.5 Ų46.513%0.13225%0.247CC..EExtended strand (participates in β ladder)trans-165.4135.1-172-179.3167.3175.6-165.3-1.9113.8N188 T249 F254N188-R252 PolarHBondContact OD1-NE 2.77Å; T249-R252 PolarHBondContact N-O 2.84Å; T249-R252 PolarHBondContact O-N 3.4Å; T249-R252 PolarHBondContact OG1-N 3.17Å; T249-R252 PolarHBondContact OG1-O 3.14Å; R252-F254 HydrophobicContact CB-CE2 4.01Å; R252-F254 HydrophobicContact CB-CZ 4.44Å; R252-F254 HydrophobicContact CG-CD2 4.08Å; R252-F254 HydrophobicContact CG-CE2 3.85Å; R252-F254 HydrophobicContact CG-CZ 4.1Å
253T93.2Very high93.2Very high47 Ų4744.1 Ų44.129%0.28823%0.232SC..EExtended strand (participates in β ladder)trans-85.7134.1159.2-51.40000111E246 I247 I248 Y255E246-T253 HydrophobicContact CB-CG2 3.83Å; E246-T253 HydrophobicContact CG-CG2 4.42Å; E246-T253 VanDerWaalsContact OE2-CG2 3.24Å; E246-T253 WeakPolarHBondContact OE2-CG2 3.36Å; I247-T253 CarbonylContact O-C 3.6Å; I247-T253 WeakPolarHBondContact O-CA 3.27Å; I248-T253 HydrophobicContact CG1-CG2 4.12Å; T253-Y255 HydrophobicContact CG2-CD1 4.49Å; T253-Y255 HydrophobicContact CG2-CE1 3.96Å; T253-Y255 HydrophobicContact CG2-CE2 3.97Å
254F95.2Very high93.5Very high8 Ų842.3 Ų42.34%0.03522%0.223CC..EExtended strand (participates in β ladder)trans-109.3119.5172.4-63.2-101.9000109.3Y207 I220 E246 I247 T249 R252 I256Y207-F254 HydrophobicContact CE1-CE1 4.42Å; I220-F254 HydrophobicContact CD1-CD1 3.82Å; I220-F254 HydrophobicContact CD1-CD2 3.79Å; I220-F254 HydrophobicContact CD1-CE1 3.79Å; I220-F254 HydrophobicContact CD1-CE2 3.77Å; I220-F254 HydrophobicContact CD1-CG 3.82Å; I220-F254 HydrophobicContact CD1-CZ 3.76Å; I220-F254 HydrophobicContact CG1-CE1 4.28Å; I220-F254 HydrophobicContact CG1-CE2 4.15Å; I220-F254 HydrophobicContact CG1-CZ 3.94Å; E246-F254 CarbonylContact C-O 3.52Å; E246-F254 VanDerWaalsContact CA-O 3.27Å; E246-F254 WeakPolarHBondContact CA-O 3.12Å; I247-F254 HydrophobicContact CB-CB 4.36Å; I247-F254 PolarHBondContact N-O 2.79Å; I247-F254 PolarHBondContact O-N 3.35Å; T249-F254 HydrophobicContact CG2-CD2 4.29Å; T249-F254 HydrophobicContact CG2-CE2 3.99Å; R252-F254 HydrophobicContact CB-CE2 4.01Å; R252-F254 HydrophobicContact CB-CZ 4.44Å; R252-F254 HydrophobicContact CG-CD2 4.08Å; R252-F254 HydrophobicContact CG-CE2 3.85Å; R252-F254 HydrophobicContact CG-CZ 4.1Å; F254-I256 HydrophobicContact CB-CD1 3.94Å; F254-I256 WeakPolarHBondContact O-CD1 3.32Å
255Y95.2Very high93.6Very high44 Ų4446.2 Ų46.217%0.17324%0.241CC..EExtended strand (participates in β ladder)trans-93.5126172.7-59.4-77.7000110K185 Q186 C231 V233 L238 E246 T253K185-Y255 WeakPolarHBondContact CA-O 3.36Å; Q186-Y255 PolarHBondContact N-O 3.14Å; C231-Y255 WeakPolarHBondContact SG-CD1 3.47Å; C231-Y255 WeakPolarHBondContact SG-CE1 3.28Å; V233-Y255 HydrophobicContact CG2-CE1 4.3Å; L238-Y255 HydrophobicContact CD1-CD1 4.36Å; L238-Y255 HydrophobicContact CD1-CD2 4.41Å; L238-Y255 HydrophobicContact CD1-CE1 4.1Å; L238-Y255 HydrophobicContact CD1-CE2 4.17Å; L238-Y255 HydrophobicContact CD2-CD1 3.81Å; L238-Y255 HydrophobicContact CD2-CD2 4.14Å; L238-Y255 HydrophobicContact CD2-CE1 4.37Å; L238-Y255 HydrophobicContact CD2-CG 3.68Å; E246-Y255 HydrophobicContact CB-CD1 3.9Å; E246-Y255 HydrophobicContact CB-CE1 3.98Å; E246-Y255 WeakPolarHBondContact OE2-CE1 3.33Å; T253-Y255 HydrophobicContact CG2-CD1 4.49Å; T253-Y255 HydrophobicContact CG2-CE1 3.96Å; T253-Y255 HydrophobicContact CG2-CE2 3.97Å
256I96.9Very high93.7Very high1 Ų146.3 Ų46.31%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-131.8123.1-178.2-55.2102.4000109.2C183 K185 F198 F245 I247 F254C183-I256 HydrophobicContact CB-CG2 3.32Å; K185-I256 HydrophobicContact CB-CG1 4.14Å; F198-I256 HydrophobicContact CE1-CG1 4.08Å; F198-I256 HydrophobicContact CE2-CG2 4.21Å; F198-I256 HydrophobicContact CZ-CG1 3.79Å; F198-I256 HydrophobicContact CZ-CG2 4.12Å; F245-I256 HydrophobicContact CD1-CB 4.13Å; F245-I256 HydrophobicContact CD1-CG2 4.4Å; F245-I256 VanDerWaalsContact CD1-O 3.24Å; F245-I256 WeakPolarHBondContact CD1-O 3.5Å; F245-I256 HydrophobicContact CD2-CD1 4.39Å; F245-I256 HydrophobicContact CE1-CB 3.66Å; F245-I256 HydrophobicContact CE1-CG2 3.58Å; F245-I256 HydrophobicContact CE2-CB 4.23Å; F245-I256 HydrophobicContact CE2-CD1 3.88Å; F245-I256 HydrophobicContact CZ-CB 3.71Å; F245-I256 HydrophobicContact CZ-CD1 4.11Å; F245-I256 HydrophobicContact CZ-CG1 4.29Å; F245-I256 HydrophobicContact CZ-CG2 3.78Å; F245-I256 PolarHBondContact N-O 2.74Å; F245-I256 PolarHBondContact O-N 3.18Å; I247-I256 HydrophobicContact CD1-CD1 3.78Å; I247-I256 HydrophobicContact CG1-CD1 3.88Å; F254-I256 HydrophobicContact CB-CD1 3.94Å; F254-I256 WeakPolarHBondContact O-CD1 3.32Å
257Q94.4Very high93.7Very high28 Ų2845.5 Ų45.513%0.13124%0.238CC..EExtended strand (participates in β ladder)trans-96.8139.1170.117017356.600109.4C183 V184 D242 N243 L244C183-Q257 CarbonylContact C-O 3.57Å; C183-Q257 WeakPolarHBondContact CA-O 3.38Å; C183-Q257 WeakPolarHBondContact CB-O 3.48Å; V184-Q257 HydrophobicContact CB-CB 4.36Å; V184-Q257 PolarHBondContact N-O 2.8Å; V184-Q257 PolarHBondContact O-N 2.95Å; D242-Q257 WeakPolarHBondContact O-CG 3.19Å; D242-Q257 PolarHBondContact O-NE2 2.84Å; N243-Q257 WeakPolarHBondContact O-CA 3.42Å; L244-Q257 HydrophobicContact CD1-CB 3.94Å
258T95.1Very high93.7Very high2 Ų246.4 Ų46.41%0.01224%0.242CC..  trans-106.4166.4172.5440000110.8N243 F245 T260 E263 M264N243-T258 WeakPolarHBondContact CB-O 3.42Å; N243-T258 PolarHBondContact O-N 2.81Å; N243-T258 PolarHBondContact O-OG1 3.34Å; F245-T258 HydrophobicContact CD1-CG2 4.43Å; F245-T258 HydrophobicContact CE1-CG2 3.91Å; T258-T260 PolarHBondContact OG1-O 2.97Å; T258-T260 VanDerWaalsContact OG1-O 3.07Å; T258-E263 HydrophobicContact CG2-CB 3.97Å; T258-M264 WeakPolarHBondContact OG1-CA 3.21Å; T258-M264 VanDerWaalsContact OG1-CB 3.3Å; T258-M264 WeakPolarHBondContact OG1-CB 3.29Å; T258-M264 PolarHBondContact OG1-N 3.19Å
259D86.8Confident93.9Very high84 Ų8452.2 Ų52.245%0.44926%0.262SS..SBendtrans-79.1-28.7-177.8-65.9-22.5000110.3R195 N243 E263R195-D259 IonicContact CZ-OD1 2.84Å; R195-D259 IonicContact CZ-OD2 2.77Å; R195-D259 VanDerWaalsContact CZ-OD2 3.26Å; R195-D259 VanDerWaalsContact NH1-CG 3.32Å; R195-D259 IonicContact NH1-OD1 3.26Å; R195-D259 PolarHBondContact NH1-OD1 3.05Å; R195-D259 IonicContact NH1-OD2 2.75Å; R195-D259 PolarHBondContact NH1-OD2 3.48Å; R195-D259 IonicContact NH2-OD2 3.28Å; R195-D259 PolarHBondContact NH2-OD2 2.8Å; N243-D259 PolarHBondContact ND2-O 2.98Å; D259-E263 PolarHBondContact N-OE2 2.79Å
260T90.1Very high94Very high50 Ų5052.8 Ų52.831%0.30727%0.265SS..SBendtrans-127.7155.9176.263.90000113.9N243 T258 E262 E263 M264N243-T260 VanDerWaalsContact CG-C 3.49Å; N243-T260 WeakPolarHBondContact ND2-CA 3.22Å; T258-T260 PolarHBondContact OG1-O 2.97Å; T258-T260 VanDerWaalsContact OG1-O 3.07Å; T260-E262 VanDerWaalsContact C-N 3.28Å; T260-E262 PolarHBondContact O-N 2.85Å; T260-E263 PolarHBondContact N-OE2 2.84Å; T260-E263 WeakPolarHBondContact O-CB 3.14Å; T260-E263 PolarHBondContact O-N 2.8Å; T260-E263 WeakPolarHBondContact OG1-CB 3.47Å; T260-E263 VanDerWaalsContact OG1-CD 3.31Å; T260-E263 WeakPolarHBondContact OG1-CG 3.43Å; T260-E263 PolarHBondContact OG1-N 3.34Å; T260-M264 PolarHBondContact O-N 3.05Å
261P91.4Very high94.4Very high49 Ų4946.5 Ų46.532%0.31824%0.235SC..Hα-helixtrans-68.2-26.9173.625.7-30.9000112.4N243 M264 H265N243-P261 WeakPolarHBondContact OD1-CA 3.2Å; N243-P261 WeakPolarHBondContact OD1-CB 3.39Å; N243-P261 WeakPolarHBondContact OD1-CD 3.37Å; P261-M264 WeakPolarHBondContact O-CB 3.47Å; P261-M264 PolarHBondContact O-N 2.93Å; P261-H265 PolarHBondContact O-N 2.94Å; P261-H265 PolarHBondContact O-ND1 3.27Å
262E93.5Very high94.7Very high134 Ų13443.8 Ų43.863%0.62621%0.212SC*.Hα-helixtrans-64.4-42.4174.7-67.666-14400111.1T260 G266T260-E262 VanDerWaalsContact C-N 3.28Å; T260-E262 PolarHBondContact O-N 2.85Å; E262-G266 PolarHBondContact O-N 3.11Å
263E94.4Very high95Very high72 Ų7245.8 Ų45.834%0.33622%0.224SC..Hα-helixtrans-61.1-46.8171.2-79.1165.2-159.700111.6T258 D259 T260 H265 G266 W267T258-E263 HydrophobicContact CG2-CB 3.97Å; D259-E263 PolarHBondContact N-OE2 2.79Å; T260-E263 PolarHBondContact N-OE2 2.84Å; T260-E263 WeakPolarHBondContact O-CB 3.14Å; T260-E263 PolarHBondContact O-N 2.8Å; T260-E263 WeakPolarHBondContact OG1-CB 3.47Å; T260-E263 VanDerWaalsContact OG1-CD 3.31Å; T260-E263 WeakPolarHBondContact OG1-CG 3.43Å; T260-E263 PolarHBondContact OG1-N 3.34Å; E263-H265 PolarHBondContact O-N 2.81Å; E263-G266 CarbonylContact O-C 3.59Å; E263-G266 WeakPolarHBondContact O-CA 3.17Å; E263-G266 PolarHBondContact O-N 2.92Å; E263-G266 VanDerWaalsContact O-N 3.12Å; E263-W267 VanDerWaalsContact O-CD1 3.23Å; E263-W267 PolarHBondContact O-N 2.94Å
264M96.1Very high95Very high4 Ų444.6 Ų44.62%0.0221%0.214CC..Hα-helixtrans-53.2-54.5178.2-172.2-174.665.800111.1E230 L244 F245 T258 T260 P261 G266 W267 I268E230-M264 HydrophobicContact CB-CE 4.33Å; E230-M264 HydrophobicContact CG-CE 3.81Å; E230-M264 HydrophobicContact CG-SD 4.04Å; L244-M264 PolarHBondContact N-SD 3.06Å; L244-M264 VanDerWaalsContact N-SD 3.43Å; L244-M264 VanDerWaalsContact O-SD 3.42Å; F245-M264 HydrophobicContact CB-CG 3.92Å; F245-M264 HydrophobicContact CB-SD 4.47Å; F245-M264 HydrophobicContact CD1-CG 4.04Å; F245-M264 HydrophobicContact CG-CG 4.39Å; T258-M264 WeakPolarHBondContact OG1-CA 3.21Å; T258-M264 VanDerWaalsContact OG1-CB 3.3Å; T258-M264 WeakPolarHBondContact OG1-CB 3.29Å; T258-M264 PolarHBondContact OG1-N 3.19Å; T260-M264 PolarHBondContact O-N 3.05Å; P261-M264 WeakPolarHBondContact O-CB 3.47Å; P261-M264 PolarHBondContact O-N 2.93Å; M264-G266 VanDerWaalsContact C-N 3.3Å; M264-G266 PolarHBondContact O-N 3.49Å; M264-W267 PolarHBondContact O-N 3.48Å; M264-I268 HydrophobicContact CG-CD1 3.99Å; M264-I268 VanDerWaalsContact O-CG1 3.31Å; M264-I268 WeakPolarHBondContact O-CG1 3.47Å; M264-I268 PolarHBondContact O-N 2.88Å
265H96.8Very high95Very high89 Ų8944.4 Ų44.441%0.41221%0.214SC..Hα-helixtrans-67.4-30.8178.7-66.9104.7000112.4P261 E263 R269P261-H265 PolarHBondContact O-N 2.94Å; P261-H265 PolarHBondContact O-ND1 3.27Å; E263-H265 PolarHBondContact O-N 2.81Å; H265-R269 WeakPolarHBondContact O-CB 3.39Å; H265-R269 WeakPolarHBondContact O-CG 3.49Å; H265-R269 PolarHBondContact O-N 3.47Å; H265-R269 VanDerWaalsContact O-N 3.1Å; H265-R269 PolarHBondContact O-NE 3.09Å
266G97.1Very high94.9Very high3 Ų350.1 Ų50.13%0.03124%0.235CC..Hα-helixtrans-56.1-62.1167.300000111.1R179 E262 E263 M264 I268 R269 D270R179-G266 PolarHBondContact NH1-O 3.11Å; E262-G266 PolarHBondContact O-N 3.11Å; E263-G266 CarbonylContact O-C 3.59Å; E263-G266 WeakPolarHBondContact O-CA 3.17Å; E263-G266 PolarHBondContact O-N 2.92Å; E263-G266 VanDerWaalsContact O-N 3.12Å; M264-G266 VanDerWaalsContact C-N 3.3Å; M264-G266 PolarHBondContact O-N 3.49Å; G266-I268 VanDerWaalsContact C-N 3.34Å; G266-I268 PolarHBondContact O-N 3.03Å; G266-R269 PolarHBondContact O-N 2.79Å; G266-R269 VanDerWaalsContact O-N 3.13Å; G266-D270 PolarHBondContact O-N 3.45Å; G266-D270 VanDerWaalsContact O-N 3.08Å; G266-D270 VanDerWaalsContact O-OD1 3.05Å
267W97.8Very high94.5Very high6 Ų654.6 Ų54.62%0.02326%0.256CS..Hα-helixtrans-54.2-47.1-178.5-80.7105.6000112.4R179 F198 L200 F245 E263 M264 R269 I271R179-W267 HydrophobicContact CB-CH2 4.3Å; R179-W267 HydrophobicContact CB-CZ3 4.29Å; R179-W267 HydrophobicContact CG-CD2 4.32Å; R179-W267 HydrophobicContact CG-CE3 4.41Å; R179-W267 HydrophobicContact CG-CH2 3.87Å; R179-W267 HydrophobicContact CG-CZ2 3.76Å; R179-W267 HydrophobicContact CG-CZ3 4.2Å; F198-W267 HydrophobicContact CB-CH2 3.57Å; F198-W267 HydrophobicContact CB-CZ2 3.84Å; F198-W267 HydrophobicContact CB-CZ3 4.28Å; L200-W267 HydrophobicContact CB-CZ3 3.86Å; F245-W267 HydrophobicContact CE1-CB 3.9Å; F245-W267 HydrophobicContact CE1-CG 4.23Å; F245-W267 HydrophobicContact CE2-CB 4.25Å; F245-W267 HydrophobicContact CZ-CB 3.67Å; F245-W267 HydrophobicContact CZ-CG 4.06Å; E263-W267 VanDerWaalsContact O-CD1 3.23Å; E263-W267 PolarHBondContact O-N 2.94Å; M264-W267 PolarHBondContact O-N 3.48Å; W267-R269 PolarHBondContact O-N 3.19Å; W267-I271 HydrophobicContact CE3-CD1 4.3Å; W267-I271 WeakPolarHBondContact O-CB 3.37Å; W267-I271 WeakPolarHBondContact O-CD1 2.84Å; W267-I271 WeakPolarHBondContact O-CG1 3.26Å; W267-I271 PolarHBondContact O-N 2.99Å; W267-I271 VanDerWaalsContact O-N 3.16Å
268I97.4Very high93.9Very high19 Ų1958.6 Ų58.610%0.09727%0.273CS..Hα-helixtrans-56.9-52176.2-64161.4000110.7V228 E230 F245 M264 G266 D270 I271 D272V228-I268 HydrophobicContact CG1-CG2 4.42Å; V228-I268 HydrophobicContact CG2-CG1 4.21Å; V228-I268 HydrophobicContact CG2-CG2 4.46Å; E230-I268 HydrophobicContact CB-CD1 4.31Å; F245-I268 HydrophobicContact CB-CD1 3.84Å; F245-I268 HydrophobicContact CB-CG1 3.86Å; F245-I268 HydrophobicContact CD2-CG1 4.23Å; F245-I268 HydrophobicContact CG-CG1 4.15Å; M264-I268 HydrophobicContact CG-CD1 3.99Å; M264-I268 VanDerWaalsContact O-CG1 3.31Å; M264-I268 WeakPolarHBondContact O-CG1 3.47Å; M264-I268 PolarHBondContact O-N 2.88Å; G266-I268 VanDerWaalsContact C-N 3.34Å; G266-I268 PolarHBondContact O-N 3.03Å; I268-D270 PolarHBondContact O-N 3.4Å; I268-I271 PolarHBondContact O-N 3.16Å; I268-D272 WeakPolarHBondContact O-CB 3.23Å; I268-D272 PolarHBondContact O-N 3.18Å
269R97.4Very high93.4Very high161 Ų16165.1 Ų65.161%0.60830%0.298SS*.Hα-helixtrans-60.8-46.3-175.4-76.8179.9-59.9173.63.5113.4H265 G266 W267 D272 M273H265-R269 WeakPolarHBondContact O-CB 3.39Å; H265-R269 WeakPolarHBondContact O-CG 3.49Å; H265-R269 PolarHBondContact O-N 3.47Å; H265-R269 VanDerWaalsContact O-N 3.1Å; H265-R269 PolarHBondContact O-NE 3.09Å; G266-R269 PolarHBondContact O-N 2.79Å; G266-R269 VanDerWaalsContact O-N 3.13Å; W267-R269 PolarHBondContact O-N 3.19Å; R269-D272 PolarHBondContact O-N 3.46Å; R269-M273 VanDerWaalsContact O-CB 3.29Å; R269-M273 WeakPolarHBondContact O-CB 3.28Å; R269-M273 PolarHBondContact O-N 2.84Å
270D97.2Very high92.2Very high25 Ų2563.9 Ų63.913%0.13431%0.305CS..Hα-helixtrans-72.7-35.9-176.7-66.447.7000111.6L178 R179 L200 G266 I268 M273 K274L178-D270 HydrophobicContact CD2-CB 3.89Å; R179-D270 VanDerWaalsContact CZ-CG 3.41Å; R179-D270 IonicContact CZ-OD1 2.88Å; R179-D270 VanDerWaalsContact CZ-OD1 3.3Å; R179-D270 IonicContact CZ-OD2 2.7Å; R179-D270 VanDerWaalsContact NH1-CB 3.27Å; R179-D270 IonicContact NH1-OD1 3.32Å; R179-D270 PolarHBondContact NH1-OD1 3.27Å; R179-D270 IonicContact NH1-OD2 2.64Å; R179-D270 PolarHBondContact NH1-OD2 3.26Å; R179-D270 IonicContact NH2-OD1 2.88Å; R179-D270 PolarHBondContact NH2-OD1 3.42Å; R179-D270 IonicContact NH2-OD2 3.95Å; R179-D270 PolarHBondContact NH2-OD2 3.45Å; L200-D270 HydrophobicContact CD2-CB 3.54Å; G266-D270 PolarHBondContact O-N 3.45Å; G266-D270 VanDerWaalsContact O-N 3.08Å; G266-D270 VanDerWaalsContact O-OD1 3.05Å; I268-D270 PolarHBondContact O-N 3.4Å; D270-M273 WeakPolarHBondContact O-CB 3.42Å; D270-M273 PolarHBondContact O-N 2.85Å; D270-K274 PolarHBondContact O-N 3.31Å
271I97.2Very high90.4Very high0 Ų068.1 Ų68.10%032%0.321CS..Hα-helixtrans-63.6-48.2173.8-65.1168.9000109.5L200 V205 I225 V228 F245 I247 W267 I268 M273 K274 I275L200-I271 HydrophobicContact CD1-CG1 4.33Å; L200-I271 HydrophobicContact CD2-CG1 3.98Å; V205-I271 HydrophobicContact CG2-CD1 3.83Å; V205-I271 HydrophobicContact CG2-CG1 3.8Å; V205-I271 HydrophobicContact CG2-CG2 4.41Å; I225-I271 HydrophobicContact CD1-CG2 4.07Å; V228-I271 HydrophobicContact CB-CG2 4.16Å; V228-I271 HydrophobicContact CG1-CB 4.11Å; V228-I271 HydrophobicContact CG1-CG2 3.77Å; V228-I271 HydrophobicContact CG2-CD1 4.42Å; V228-I271 HydrophobicContact CG2-CG2 4.45Å; F245-I271 HydrophobicContact CE2-CD1 4.21Å; I247-I271 HydrophobicContact CD1-CD1 3.95Å; I247-I271 HydrophobicContact CG1-CD1 4.48Å; W267-I271 HydrophobicContact CE3-CD1 4.3Å; W267-I271 WeakPolarHBondContact O-CB 3.37Å; W267-I271 WeakPolarHBondContact O-CD1 2.84Å; W267-I271 WeakPolarHBondContact O-CG1 3.26Å; W267-I271 PolarHBondContact O-N 2.99Å; W267-I271 VanDerWaalsContact O-N 3.16Å; I268-I271 PolarHBondContact O-N 3.16Å; I271-M273 VanDerWaalsContact C-N 3.3Å; I271-M273 PolarHBondContact O-N 3.46Å; I271-K274 PolarHBondContact O-N 2.8Å; I271-I275 HydrophobicContact CG2-CD1 3.74Å; I271-I275 HydrophobicContact CG2-CG1 4.42Å; I271-I275 VanDerWaalsContact O-CG1 3.27Å; I271-I275 WeakPolarHBondContact O-CG1 3.33Å; I271-I275 PolarHBondContact O-N 2.73Å
272D96.1Very high88.4Confident58 Ų5871 Ų7131%0.3134%0.339SS..Hα-helixtrans-63.7-33.3175.7-95.3-25000112.9V228 I268 R269 R276V228-D272 HydrophobicContact CG1-CB 4.28Å; V228-D272 VanDerWaalsContact CG1-CG 3.48Å; V228-D272 VanDerWaalsContact CG1-OD1 3.29Å; V228-D272 WeakPolarHBondContact CG1-OD1 3.41Å; I268-D272 WeakPolarHBondContact O-CB 3.23Å; I268-D272 PolarHBondContact O-N 3.18Å; R269-D272 PolarHBondContact O-N 3.46Å; D272-R276 WeakPolarHBondContact O-CB 3.46Å; D272-R276 VanDerWaalsContact O-CG 3.26Å; D272-R276 WeakPolarHBondContact O-CG 3.25Å; D272-R276 PolarHBondContact O-N 3.04Å; D272-R276 PolarHBondContact O-NE 2.74Å
273M95.3Very high86.4Confident77 Ų7776.6 Ų76.638%0.37936%0.355SS..Hα-helixtrans-63.6-49.7172.9-177.4178.269.900110.9L178 R269 D270 I271 R276 E277L178-M273 HydrophobicContact CD2-CE 3.66Å; R269-M273 VanDerWaalsContact O-CB 3.29Å; R269-M273 WeakPolarHBondContact O-CB 3.28Å; R269-M273 PolarHBondContact O-N 2.84Å; D270-M273 WeakPolarHBondContact O-CB 3.42Å; D270-M273 PolarHBondContact O-N 2.85Å; I271-M273 VanDerWaalsContact C-N 3.3Å; I271-M273 PolarHBondContact O-N 3.46Å; M273-R276 PolarHBondContact O-N 2.96Å; M273-E277 WeakPolarHBondContact O-CB 3.46Å; M273-E277 PolarHBondContact O-N 2.87Å
274K94.7Very high84Confident22 Ų2276 Ų7610%0.09637%0.367CS..Hα-helixtrans-68.6-35-179.4-74.1-75.4166.1-166.50113L178 L200 D202 L222 D270 I271 R276 E277 F278L178-K274 HydrophobicContact CD2-CD 4.33Å; L178-K274 HydrophobicContact CD2-CG 3.8Å; L200-K274 HydrophobicContact CD1-CG 4.49Å; D202-K274 VanDerWaalsContact OD1-CE 3.23Å; D202-K274 WeakPolarHBondContact OD1-CE 3.47Å; D202-K274 IonicContact OD1-NZ 3.4Å; D202-K274 PolarHBondContact OD1-NZ 3.05Å; L222-K274 HydrophobicContact CD1-CB 3.68Å; D270-K274 PolarHBondContact O-N 3.31Å; I271-K274 PolarHBondContact O-N 2.8Å; K274-R276 VanDerWaalsContact C-N 3.35Å; K274-R276 PolarHBondContact O-N 2.99Å; K274-E277 WeakPolarHBondContact CD-OE2 3.46Å; K274-E277 VanDerWaalsContact CE-OE2 3.27Å; K274-E277 WeakPolarHBondContact CE-OE2 3.27Å; K274-E277 IonicContact NZ-OE1 3.73Å; K274-E277 IonicContact NZ-OE2 2.91Å; K274-E277 PolarHBondContact NZ-OE2 2.96Å; K274-E277 PolarHBondContact O-N 3.1Å; K274-F278 WeakPolarHBondContact O-CB 3.16Å; K274-F278 PolarHBondContact O-N 3.44Å
275I94Very high81.4Confident5 Ų583.6 Ų83.63%0.02640%0.402CS..Hα-helixtrans-62.3-41.7170.1-68166.7000111.1L222 I225 I271 R279L222-I275 HydrophobicContact CB-CG1 4.36Å; L222-I275 HydrophobicContact CD2-CG1 4.24Å; I225-I275 HydrophobicContact CB-CD1 3.83Å; I225-I275 HydrophobicContact CD1-CD1 4.28Å; I225-I275 HydrophobicContact CG2-CD1 3.55Å; I271-I275 HydrophobicContact CG2-CD1 3.74Å; I271-I275 HydrophobicContact CG2-CG1 4.42Å; I271-I275 VanDerWaalsContact O-CG1 3.27Å; I271-I275 WeakPolarHBondContact O-CG1 3.33Å; I271-I275 PolarHBondContact O-N 2.73Å; I275-R279 WeakPolarHBondContact O-CB 3.42Å; I275-R279 WeakPolarHBondContact O-CG 3.5Å; I275-R279 PolarHBondContact O-N 3.27Å
276R92.6Very high78.7Confident163 Ų16387.3 Ų87.362%0.61542%0.42SS*.Hα-helixtrans-69.5-37.9176.5-76.2178.8-64.4138.8-2.9112.8D272 M273 K274 R279 G280D272-R276 WeakPolarHBondContact O-CB 3.46Å; D272-R276 VanDerWaalsContact O-CG 3.26Å; D272-R276 WeakPolarHBondContact O-CG 3.25Å; D272-R276 PolarHBondContact O-N 3.04Å; D272-R276 PolarHBondContact O-NE 2.74Å; M273-R276 PolarHBondContact O-N 2.96Å; K274-R276 VanDerWaalsContact C-N 3.35Å; K274-R276 PolarHBondContact O-N 2.99Å; R276-R279 PolarHBondContact O-N 2.82Å; R276-G280 VanDerWaalsContact O-CA 3.25Å; R276-G280 WeakPolarHBondContact O-CA 3.32Å; R276-G280 PolarHBondContact O-N 2.91Å
277E88.6Confident76.1Confident95 Ų9596 Ų9644%0.44446%0.457SS..Hα-helixtrans-63.9-42.6175.5-172.3177.6-179.300111.5M273 K274 H281M273-E277 WeakPolarHBondContact O-CB 3.46Å; M273-E277 PolarHBondContact O-N 2.87Å; K274-E277 WeakPolarHBondContact CD-OE2 3.46Å; K274-E277 VanDerWaalsContact CE-OE2 3.27Å; K274-E277 WeakPolarHBondContact CE-OE2 3.27Å; K274-E277 IonicContact NZ-OE1 3.73Å; K274-E277 IonicContact NZ-OE2 2.91Å; K274-E277 PolarHBondContact NZ-OE2 2.96Å; K274-E277 PolarHBondContact O-N 3.1Å; E277-H281 PolarHBondContact O-N 2.82Å; E277-H281 PolarHBondContact O-ND1 2.92Å
278F82.2Confident73.4Confident112 Ų112104.3 Ų104.349%0.49149%0.494SS..Hα-helixtrans-65.4-44.5175.3177.3-97.9000113.1R223 K274R223-F278 HydrophobicContact CB-CD1 4.45Å; R223-F278 HydrophobicContact CB-CE1 3.57Å; R223-F278 HydrophobicContact CB-CZ 3.69Å; K274-F278 WeakPolarHBondContact O-CB 3.16Å; K274-F278 PolarHBondContact O-N 3.44Å
279R83.9Confident70.6Confident140 Ų140114.4 Ų114.453%0.52853%0.53SS..Hα-helixtrans-80.1-25.8179.5-68.4179-177.5166.35.8113.7I225 I275 R276I225-R279 PolarHBondContact O-NH2 3.33Å; I275-R279 WeakPolarHBondContact O-CB 3.42Å; I275-R279 WeakPolarHBondContact O-CG 3.5Å; I275-R279 PolarHBondContact O-N 3.27Å; R276-R279 PolarHBondContact O-N 2.82Å
280G63.3Low67.7Low58 Ų58115.4 Ų115.460%0.59854%0.544SS*.Hα-helixtrans-82.9-12.1-176.600000113.9R276 P282R276-G280 VanDerWaalsContact O-CA 3.25Å; R276-G280 WeakPolarHBondContact O-CA 3.32Å; R276-G280 PolarHBondContact O-N 2.91Å; G280-P282 VanDerWaalsContact O-CD 3.22Å; G280-P282 WeakPolarHBondContact O-CD 3.39Å
281H52.1Low64.8Low139 Ų139119.7 Ų119.764%0.64458%0.576SS**SBendtrans-71.5113.3161.5-91.880.2000109.6E277E277-H281 PolarHBondContact O-N 2.82Å; E277-H281 PolarHBondContact O-ND1 2.92Å
282P48.3Very low62.1Low109 Ų109124.4 Ų124.471%0.70861%0.609SS**  trans-60.1157163-12.429.3000108G280 G284G280-P282 VanDerWaalsContact O-CD 3.22Å; G280-P282 WeakPolarHBondContact O-CD 3.39Å; P282-G284 PolarHBondContact O-N 3.05Å
283R51.6Low59.7Low252 Ų252128.9 Ų128.995%0.95163%0.632SS**SBendtrans-72.455.4171.5-59.2-173.7-163.6174.76.3111.6H285R283-H285 PolarHBondContact O-N 3.14Å
284G44Very low56.9Low58 Ų58134.1 Ų134.160%0.59866%0.655SS**  trans-85.359.2168.900000110.3P282 Q286P282-G284 PolarHBondContact O-N 3.05Å; G284-Q286 PolarHBondContact O-N 3.1Å
285H43Very low54Low164 Ų164140.9 Ų140.976%0.75969%0.687SS**  trans-67.676.5156.2-7623.7000107.4R283 F287R283-H285 PolarHBondContact O-N 3.14Å; H285-F287 PolarHBondContact O-N 3.44Å
286Q39.2Very low51.1Low168 Ų168150.4 Ų150.479%0.78573%0.729SS**  trans-64.691.9156.8-72-158.211.600106.2G284 K288G284-Q286 PolarHBondContact O-N 3.1Å; Q286-K288 PolarHBondContact O-N 2.82Å
287F41.8Very low48.4Very low184 Ų184150.4 Ų150.481%0.80774%0.735SS**  trans-52.794.4147.8-82-89.1000106.2H285 R289H285-F287 PolarHBondContact O-N 3.44Å; F287-R289 PolarHBondContact O-N 2.77Å
288K42.6Very low45.7Very low181 Ų181152.8 Ų152.879%0.78775%0.751SS**  trans-62.879.7154.2-78.9-172.7175.8-179.20106Q286 M290Q286-K288 PolarHBondContact O-N 2.82Å; K288-M290 VanDerWaalsContact C-N 3.31Å; K288-M290 PolarHBondContact O-N 3.43Å
289R38Very low44.5Very low231 Ų231152 Ų15287%0.87276%0.758SS**  trans-55.1104161.2-172.3179.4-162.8160.95.1104.3F287 S291F287-R289 PolarHBondContact O-N 2.77Å; R289-S291 PolarHBondContact O-N 2.86Å
290M36.7Very low42Very low183 Ų183151.2 Ų151.290%0.90177%0.773SS**  trans-55107.2175.8-81.6173.2152.700107.1K288 S292K288-M290 VanDerWaalsContact C-N 3.31Å; K288-M290 PolarHBondContact O-N 3.43Å; M290-S292 VanDerWaalsContact C-N 3.34Å; M290-S292 PolarHBondContact O-N 2.97Å
291S35.4Very low40.5Very low115 Ų115152.3 Ų152.380%0.80479%0.785SS**  trans-70.296.5173.850.30000107R289 L293R289-S291 PolarHBondContact O-N 2.86Å; S291-L293 PolarHBondContact O-N 2.87Å
292S40.8Very low39.6Very low99 Ų99150.5 Ų150.569%0.69279%0.793SS**  trans-53132.8172.4-175.10000109.8M290 H294M290-S292 VanDerWaalsContact C-N 3.34Å; M290-S292 PolarHBondContact O-N 2.97Å; S292-H294 PolarHBondContact O-N 2.99Å
293L44.9Very low38.8Very low152 Ų152150.6 Ų150.680%0.79680%0.797SS**  trans-41.8122168.1-113.472.2000110.5S291S291-L293 PolarHBondContact O-N 2.87Å
294H36.6Very low37.8Very low186 Ų186148.4 Ų148.486%0.86179%0.788SS**  trans-146.4103.8147.2-86.6100.9000109.9S292S292-H294 PolarHBondContact O-N 2.99Å
295Q35.5Very low37.3Very low164 Ų164153 Ų15377%0.76679%0.794SS**  trans-77.6134.1175174.7-175.71800110.4
296K33.3Very low36.9Very low205 Ų205153.5 Ų153.589%0.89180%0.797SS**  trans-167.7163.9149.9-109.6161.7-171.3-177.40113.6
297H33.9Very low36.5Very low163 Ų163150.6 Ų150.676%0.75580%0.795SS**  trans-89.7145.8-160.1-75.6-117.1000115.2
298N31.9Very low36Very low146 Ų146148.6 Ų148.678%0.78179%0.793SS**  37.2159.8116-130.440.1000120.8
299P58.3Low35.6Very low96 Ų96149 Ų14962%0.62380%0.797SS**  cis-129.3-173.4-43.736.2-20.1000112.8
300S31.7Very low35.4Very low123 Ų123143 Ų14386%0.8680%0.797SS**  trans135.4142.6140.4-60.30000114.3
301G31.3Very low35.3Very low81 Ų81145.9 Ų145.984%0.83580%0.798SS**  trans144.7110.8163.300000116
302A33Very low35.6Very low100 Ų100146 Ų14683%0.82680%0.796SS**  trans-72.9141.8-167.700000118.1
303S31.1Very low35.3Very low111 Ų111150 Ų15078%0.77680%0.804SS**  49127.2120.5-138.30000123.3
304R31.6Very low34.6Very low206 Ų206150.8 Ų150.878%0.77781%0.808SS**  trans76.3115.1132.5-156.5-169.2-175.8-177.7-0.6120.3
305H33.4Very low34.8Very low155 Ų155147.6 Ų147.672%0.71880%0.801SS**  -176.2160.4106.2-110.3-84.7000114.3
306Q33.9Very low34.7Very low175 Ų175149.7 Ų149.782%0.81881%0.808SS**  trans-105.7165.9174.7-81.4178.5-16.600112.3
307S30.1Very low34.8Very low106 Ų106145 Ų14574%0.74180%0.801SS**  trans100.8125.9140.173.10000122.1
308N31.1Very low34.7Very low143 Ų143143.1 Ų143.177%0.76581%0.805SS**  trans71.7117.7135.6-66.115.1000125.4
309E35.8Very low34.9Very low188 Ų188142 Ų14288%0.87981%0.808SS**  43.5128.5129.8-62.2-153.2108.600124.2
310A32.7Very low33.9Very low106 Ų106144 Ų14488%0.87682%0.819SS**  trans-153.3144.9137.800000112.6
311R34.4Very low34.5Very low243 Ų243142.3 Ų142.392%0.91781%0.812SS**  trans-92.4-174.9179.2-124.8178165.3166.5-5.9110.7
312P42.2Very low35.1Very low117 Ų117145 Ų14576%0.7681%0.814SS**  cis-132-159.5-18.439.9-19.9000113.6
313Q33.5Very low35.2Very low183 Ų183143.1 Ų143.186%0.85581%0.805SS**  trans-74.6157.5-179.5-68.7-169.9-27.800116.3
314L30.3Very low35.5Very low170 Ų170149.8 Ų149.889%0.8981%0.813SS**  trans-151.7147.1134.8-134.198.5000113.3
315V41.1Very low36.2Very low119 Ų119148.6 Ų148.672%0.72182%0.817SS**  trans-43.5148.5-174.1-70.90000120.8
316K35Very low36.7Very low207 Ų207146.1 Ų146.190%0.981%0.814SS**  -169.6162.7121.5-100157.8-171.7178.10113
317S34.2Very low37Very low108 Ų108149 Ų14976%0.75582%0.818SS**  trans-88.6-178-154-540000117.6
318C31.3Very low37.7Very low122 Ų122150 Ų15082%0.82482%0.819SS**  trans66.796.6156.735.50000120.4
319S37.3Very low38.2Very low122 Ų122149.4 Ų149.485%0.85382%0.824SS**  trans-60.6132.1146.6-53.80000111.7
320V37.2Very low38.6Very low140 Ų140146.9 Ų146.985%0.84882%0.821SS**  trans-141.4133.8139.7-174.70000107.6
321A44.6Very low39.1Very low87 Ų87147.2 Ų147.272%0.71981%0.814SS**  trans-80.2154.1178.200000111.9
322P42.7Very low39.8Very low136 Ų136142 Ų14288%0.88381%0.811SS**  trans-86.5132.7174.731.9-29.7000112.1
323G35.8Very low39.4Very low61 Ų61139.9 Ų139.963%0.62981%0.811SS**  trans143.5136.6154.300000117.4
324W37.8Very low39.5Very low251 Ų251140.3 Ų140.395%0.95181%0.813SS**  trans80.598.6157.2-55.496.6000119.7
325Q46.8Very low40.2Very low182 Ų182137.9 Ų137.985%0.8581%0.808SS**  trans-83.9160.5136.9-46.9-176.9-58.500107.4
326P43.7Very low39.7Very low102 Ų102137.2 Ų137.266%0.66281%0.808SS**  -157.515865.943.6-22.4000119.2
327W39Very low39.6Very low237 Ų237133.8 Ų133.890%0.89880%0.798SS**  trans74.2144163.9-57.8103.4000121.7
328T44.4Very low39.7Very low125 Ų125136.7 Ų136.777%0.76780%0.802SS**  trans77.9116.6167.761.10000120.6
329P42.8Very low39.7Very low132 Ų132136.9 Ų136.986%0.85780%0.795SS**PPolyproline II helixtrans-82155.4154-8.126.7000112.6
330V44.7Very low39.8Very low135 Ų135138.3 Ų138.382%0.81879%0.79SS**PPolyproline II helixtrans-100.5153.9-179.7164.80000109
331P42.7Very low39.8Very low113 Ų113140.1 Ų140.173%0.73479%0.789SS**PPolyproline II helixtrans-83.8160.1-155.133.8-36.7000114.7
332P49.1Very low39.6Very low132 Ų132143 Ų14386%0.85779%0.792SS**PPolyproline II helixtrans-79.3132.1170.832.4-31.6000111.1
333G33.3Very low39.3Very low74 Ų74143.9 Ų143.976%0.76379%0.785SS**PPolyproline II helixtrans-99.5148.8163.600000111.2
334E36.6Very low39.3Very low191 Ų191147 Ų14789%0.89379%0.787SS**PPolyproline II helixtrans-59.3152.6163.1-78.1-165.8142.800111.3
335P44Very low39.3Very low120 Ų120139.7 Ų139.778%0.77977%0.774SS**  -149.4146.272.537.6-17000119.3
336S31.7Very low39.7Very low104 Ų104136 Ų13673%0.72777%0.766SS**  53.3136.2127.5-156.40000122.9
337I32.5Very low39Very low135 Ų135141.4 Ų141.469%0.69278%0.78SS**  147.3119.6126.7-76.7176.3000113.5
338M34.7Very low39.1Very low169 Ų169135.3 Ų135.383%0.83377%0.773SS**  trans56.7153.2155.4-64.6159.8-174.200119.1
339D32.4Very low39.7Very low126 Ų126135.1 Ų135.167%0.67477%0.774SS**  cis-135.5149.69.8-101-55.4000109.8
340M39.3Very low39.5Very low153 Ų153134.7 Ų134.775%0.75477%0.769SS**  52.3108.992.1-143.7157.961.300113
341E37.4Very low39.8Very low177 Ų177134.1 Ų134.183%0.82777%0.768SS**  176170.183.9-77.6174.4175.700108.6
342D39.7Very low39.5Very low147 Ų147135 Ų13579%0.78677%0.771SS**  cis-163.9176.4-49.3-146.5157.5000111.2
343E37.7Very low39Very low155 Ų155136.2 Ų136.272%0.72477%0.77SS**  trans63.1118.1160.7-81.6-74.67000125.5
344D33.9Very low40Very low126 Ų126139 Ų13967%0.67477%0.774SS**  94.5126.4121.5-144.312.1000126.3
345S39.3Very low40.3Very low99 Ų99135.1 Ų135.169%0.69277%0.768SS**  trans87.8147.7141.4-89.10000126.4
346P54.7Low39.9Very low105 Ų105137.2 Ų137.268%0.68277%0.772SS**  trans-127.9169.2-160.342.8-27.1000116.3
347F29.9Very low40Very low215 Ų215136.9 Ų136.994%0.94377%0.77SS**  trans-161.8151.6152.2-103.5-73.3000113.7
348S39.5Very low40.2Very low108 Ų108135 Ų13576%0.75577%0.769SS**  trans-114.3179169.5-70.90000108.7
349P57.8Low40.2Very low121 Ų121132 Ų13279%0.78677%0.765SS**  cis-152-169.627.741.3-15.7000119.9
350V37.6Very low40.4Very low124 Ų124131.2 Ų131.275%0.75277%0.768SS**  trans-34.2161.4176.5-1370000119.3
351P52.9Low40.1Very low122 Ų122131.2 Ų131.279%0.79278%0.778SS**  -147.9143.584.735.9-15.5000120.1
352T35.7Very low40.2Very low132 Ų132128 Ų12881%0.8178%0.775SS**  trans12.7154.2146.1-23.60000126.7
353L39.1Very low39.9Very low158 Ų158126.8 Ų126.883%0.82778%0.778SS**  trans-63173.8174.2-62159.5000116.5
354P54.1Low39.9Very low132 Ų132124.9 Ų124.986%0.85778%0.781SS**  -144.6174.394.639.4-24.1000116.5
355S43.2Very low39.9Very low110 Ų110126 Ų12677%0.76979%0.793SS**  trans-116.3163177.253.70000112.1
356L34.4Very low39.9Very low163 Ų163126.2 Ų126.285%0.85380%0.795SS**  trans178.4128.4152.1-98.2167.9000113
357S34.2Very low38.9Very low97 Ų97126.1 Ų126.168%0.67880%0.796SS**  trans28.3153.7133.5610000123.3
358S36.5Very low39.2Very low96 Ų96121.5 Ų121.567%0.67179%0.79SS**  cis-179.4161.9-4.545.70000112.4
359S34.7Very low39.1Very low107 Ų107121.4 Ų121.475%0.74879%0.79SS**  trans65.7161.4153.367.60000120.5
360S37.6Very low37.9Very low108 Ų108123 Ų12376%0.75579%0.792SS**  cis-175.9141.9-31.7-84.90000108.8
361T32.8Very low37.8Very low154 Ų154121.4 Ų121.495%0.94579%0.786SS**  trans-160.3150.5142.45.20000111
362S38.8Very low37Very low110 Ų110123.3 Ų123.377%0.76979%0.789SS**  trans-125.7158.7-164.850.10000112
363S33.6Very low36.9Very low121 Ų121122.5 Ų122.585%0.84679%0.788SS**  trans-157.1123.9137.654.20000110.2
364S38.5Very low36.8Very low115 Ų115121.4 Ų121.480%0.80479%0.788SS**  trans-127.3146.8173.8-450000108
365T33.4Very low37Very low148 Ų148120.1 Ų120.191%0.90878%0.78SS**  trans-128.1125.3153.639.70000109.7
366S38.2Very low36.7Very low105 Ų105121.1 Ų121.173%0.73478%0.782SS**  trans-74.1167.3177.552.50000111.2
367S35.3Very low37.9Very low103 Ų103118.5 Ų118.572%0.7278%0.775SS**  166.5153.781.8-77.30000107.1
368S34.6Very low37.9Very low117 Ų117119.2 Ų119.282%0.81878%0.779SS**  cis-158.2162.9-5.9-85.20000109.4
369S37.3Very low38.8Very low106 Ų106120 Ų12074%0.74178%0.781SS**  trans-85.7159.6177.3-48.60000113.9
370N34.2Very low38.8Very low156 Ų156120.6 Ų120.683%0.83479%0.785SS**  trans146143.3142-77.6-7.2000110.6
371S35.7Very low38.7Very low89 Ų89119.6 Ų119.662%0.62278%0.784SS**  cis169.4135-25.445.20000106.7
372L35.3Very low38.8Very low162 Ų162117.2 Ų117.285%0.84877%0.773SS**  trans54.8114.5154.8-64.7160.8000120.5
373S34.4Very low38.5Very low115 Ų115121 Ų12180%0.80478%0.779SS**  167.6156.5106-71.70000113.4
374T36.1Very low38.7Very low135 Ų135121.4 Ų121.483%0.82878%0.776SS**  trans-104.4-159.9-177.8500000111.4
375P58.5Low39.3Very low106 Ų106121.9 Ų121.969%0.68878%0.776SS**  -124.2-144.7-89.241.4-24.1000113.3
376T37.1Very low39.4Very low130 Ų130119.6 Ų119.680%0.79877%0.766SS**  trans86.7157.3161.727.90000119.7
377P58.4Low39.2Very low109 Ų109121.5 Ų121.571%0.70877%0.774SS**  trans-139.1-155.9-136.234.8-8000116.2
378C34.2Very low39.3Very low112 Ų112122.7 Ų122.776%0.75778%0.782SS**  trans87.1174.2162.2-56.60000117.7
379P56.4Low39.1Very low112 Ų112120.9 Ų120.973%0.72778%0.782SS**  -139.6-169.4-71.343.4-27.2000115.2
380S34.7Very low39.2Very low119 Ų119124.8 Ų124.883%0.83279%0.794SS**  trans77.1147.5157.5-63.20000118.8
381A35.4Very low39Very low88 Ų88121.2 Ų121.273%0.72779%0.793SS**  cis-166.2176.3-9.900000112
382S33.9Very low39Very low103 Ų103125.1 Ų125.172%0.7280%0.804SS**  trans103.9109.2144.7-61.70000122.7
383Q33.3Very low38.9Very low189 Ų189124 Ų12488%0.88380%0.798SS**  92148.2129.1-68.4-174.61100122.7
384V38.4Very low38.8Very low130 Ų130124.2 Ų124.279%0.78880%0.795SS**  trans-112.4166.5-172.4-147.60000108.1
385P50.6Low38.7Very low125 Ų125122.2 Ų122.281%0.81279%0.792SS**  -144.1164.393.334-15.8000116.4
386S35.4Very low37.4Very low100 Ų100122.4 Ų122.470%0.69980%0.796SS**  trans-64152.5178.949.90000117
387T33.8Very low37.1Very low146 Ų146120.8 Ų120.890%0.89680%0.795SS**  trans-139.7153.8135.950.40000111.1
388S36.8Very low35.8Very low128 Ų128122.9 Ų122.990%0.89580%0.801SS**  trans-104.8158.6-171.1-500000112.4
389G31Very low35.8Very low79 Ų79122.2 Ų122.281%0.81480%0.803SS**  trans-178.595.8170.200000115.1
390L39.2Very low34.8Very low188 Ų188121.6 Ų121.698%0.98481%0.807SS**  trans-82.1146.4163.9-76.9161.4000109.8
391G30.5Very low34.9Very low80 Ų80122.1 Ų122.183%0.82581%0.811SS**  trans-174.696.3174.900000114.2
392M36.2Very low34.8Very low172 Ų172121 Ų12185%0.84781%0.809SS**  trans-88156.9162.9-89.8-86.6-73.100110.3
393L33.3Very low34.9Very low137 Ų137127.9 Ų127.972%0.71782%0.819SS**  trans122.9124.1146.3-63.9179.4000118.4
394T32.1Very low35.2Very low121 Ų121129.7 Ų129.774%0.74282%0.817SS**  trans68124.6136.657.60000122.9
395A32.6Very low35.3Very low93 Ų93134.9 Ų134.977%0.76982%0.823SS**  trans65154.2132.400000119.3
396S31.1Very low34.6Very low110 Ų110136.5 Ų136.577%0.76982%0.819SS**  cis-171.1154.8-20.6-94.90000107.7
397A32.1Very low34.8Very low95 Ų95142 Ų14279%0.78583%0.825SS**  trans65.3160.6164.500000115.7
398D30.9Very low35Very low154 Ų154140.9 Ų140.982%0.82482%0.823SS**  cis-156.8147.2-18.3-137.5-45.1000107.8
399A35Very low35.3Very low98 Ų98142.3 Ų142.381%0.8182%0.815SS**  trans-176.290.5160.700000113.4
400A34.2Very low36Very low98 Ų98144.1 Ų144.181%0.8181%0.813SS**  trans-14.6128.6156.300000120.3
401S37.5Very low36.2Very low130 Ų130143.8 Ų143.891%0.90981%0.806SS**  175.8145.4118.3-166.60000108.1
402G33.6Very low37Very low66 Ų66145.1 Ų145.168%0.6880%0.8SS**  cis165.6124.17.400000106.6
403R36.1Very low37.3Very low247 Ų247146 Ų14693%0.93280%0.802SS**  trans-51.4147.1-167.8-64.9170.3169.9-177.5-2.9115.6
404R37.9Very low37.8Very low226 Ų226144.5 Ų144.585%0.85380%0.802SS**  -165.5144.3116.6-107.1168.1-170.1-104.55.3114
405R41.4Very low38Very low239 Ų239144.2 Ų144.290%0.90281%0.806SS**  trans-107.8134.3171.7-68.7176.1172.1178.6-3.7109.5
406H36.2Very low38.4Very low159 Ų159149.1 Ų149.174%0.73681%0.81SS**  trans-152.3110.1155.5-80.2-84.9000106.2
407R39.1Very low39.1Very low217 Ų217149.2 Ų149.282%0.81981%0.808SS**  5193.777.4-161.7-179.6-166.6-165.23.4112.8
408S38.4Very low39.3Very low122 Ų122155 Ų15585%0.85382%0.816SS**  trans-97.9124.6167.743.10000110.9
409Q43.1Very low39.7Very low158 Ų158152.7 Ų152.774%0.73881%0.812SS**  trans-123.8164.7163.2-116.1-167.9-35.800107.9
410P45.8Very low39.9Very low117 Ų117155 Ų15576%0.7681%0.809SS**PPolyproline II helixtrans-79.4157-156.832.2-37.2000114.8
411Q43.3Very low40.4Very low181 Ų181157.1 Ų157.185%0.84681%0.807SS**PPolyproline II helixtrans-71.8143.1171.8-77.1-78.8-15.700111.7
412P47.3Very low40.6Very low107 Ų107158.2 Ų158.270%0.69580%0.803SS**PPolyproline II helixtrans-83.5167.9175.435.4-35.1000112.9
413H42.9Very low41.3Very low192 Ų192163 Ų16389%0.88981%0.813SS**PPolyproline II helixtrans-66.1134-177.5-53-92000112.8
414S42.6Very low41.8Very low104 Ų104153.9 Ų153.973%0.72780%0.796SS**PPolyproline II helixtrans-91.5124.9161.750.50000110.6
415S36.6Very low42.3Very low116 Ų116150.9 Ų150.981%0.81180%0.795SS**PPolyproline II helixtrans-80.2129.2174.444.80000111.1
416F41.5Very low42.6Very low196 Ų196150.4 Ų150.486%0.8679%0.794SS**PPolyproline II helixtrans-85.6128.2166.7-83.5-86.4000110.3
417P45.8Very low43.4Very low111 Ų111149 Ų14972%0.72180%0.796SS**  trans-97.298.1178.534.9-29000110.9
418F36Very low44.1Very low217 Ų217144.8 Ų144.895%0.95280%0.795SS**  trans-145.5107156.9-91.6-73.5000109.8
419S38.5Very low44.7Very low106 Ų106146 Ų14674%0.74179%0.792SS**  trans-148.9120.2166.7179.80000106.5
420L40.6Very low44.7Very low146 Ų146148.8 Ų148.876%0.76482%0.819SS**  171.2121129.5-87.9165.1000107.8
421D44.1Very low44.6Very low142 Ų142150.4 Ų150.476%0.75982%0.822SS**  trans33.8111.9140.1-46.5-29.8000119.1
422D41.6Very low44.7Very low153 Ų153148.8 Ų148.882%0.81882%0.821SS**  trans-127.4114.1141.8-166.676000107.7
423D47.8Very low44.5Very low166 Ų166151.1 Ų151.189%0.88883%0.828SS**  trans-108.8105-172.1-156.6-16.8000109.1
424G47.5Very low44.6Very low57 Ų57148.7 Ų148.759%0.58882%0.824SS**  trans122.291.7162.200000117.7
425I48.8Very low44.8Very low162 Ų162151.5 Ų151.583%0.83183%0.83SS**  trans-117118.6137.4-71.388.1000110.5
426R46.8Very low45.3Very low230 Ų230153.9 Ų153.987%0.86883%0.832SS**  trans-53.5149.3176.6-167.1174.7-179.9170.1-2.3115.1
427T53Low45.6Very low129 Ų129150.9 Ų150.979%0.79183%0.83SS**  trans-59.7140.1167.7-21.40000113.3
428T53.9Low45.6Very low129 Ų129153.9 Ų153.979%0.79184%0.838SS**  trans-166.7153.6138.833.50000111.3
429D50.3Low46.3Very low148 Ų148148.7 Ų148.779%0.79183%0.828SS**  trans-35.5144.9176.1-56.8-100.3000118.1
430V43.2Very low47.1Very low216 Ų216152.5 Ų152.5100%1.30984%0.836SS**  -163.1086.1158.50000109.9

Retrieved 430 of 430 residues in 321.7 ms (Link to these results)

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